1160 SMILES Strings for 5-hydroxytryptamine receptor 4

Compound Name
SMILES String
Nc1c(Cl)cc(-c2nnc(o2)C2CCN(CC2)C2CC2)c2OCCCc12
Nc1c(Cl)cc(-c2nnc(CC3CCN(CC3)C3CCC3)o2)c2OCCCc12
COCCCN1CCC(CC1)c1nnc(o1)-c1nn(C(C)C)c2ccccc12
CC(C)n1nc(-c2nnc(CC3CCN(CC3)C3CCC3)o2)c2ccccc12
Nc1c(Cl)cc(-c2nnc(o2)C2C3CN(CC23)C2CCC2)c2OCCCc12
Nc1c2CCOc2c(cc1Cl)-c1nnc(o1)C1CCN(CC1)C1CCOCC1
COCCN1CCC(CC1)c1nnc(o1)-c1cc(Cl)c(N)c2CCCOc12
CC(C)CCN1CCC(CC1)c1nnc(o1)-c1cc(Cl)c(N)c2CCCOc12
Nc1c(Cl)cc(-c2nnc(o2)C2CCN(CC3CCC3)CC2)c2OCCCc12
Nc1c(Cl)cc(-c2nnc(o2)C2CCN(CC3CC3)CC2)c2OCCCc12
CC(C)N1CCC(CC1)c1nnc(o1)-c1cc(Cl)c(N)c2CCCOc12
COCCCN1CCC(CC1)c1nnc(o1)-c1cc(Cl)c(N)c2CCCOc12
Nc1c(Cl)cc(-c2nnc(o2)C2CCN(CC2)C2CCC2)c2OCCCc12
Nc1c(Cl)cc(-c2nnc(o2)C2CCN(CC3CCC3)CC2)c2OCCOc12
Nc1c(Cl)cc(-c2nnc(o2)C2CCN(CC2)C2CCC2)c2OCCOc12
Nc1c(Cl)cc(-c2nnc(o2)C2CCN(CC2)C2CCCC2)c2OCCCc12
Nc1c(Cl)cc(-c2nnc(CCN3CCCCC3)o2)c2OCCCc12
CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1nnc(o1)-c1cc(Cl)c(N)c2CCCOc12
Nc1c(Cl)cc(-c2nnc(CCCN3CCCCC3)o2)c2OCCCc12
Nc1c(Cl)cc(-c2nnc(CC3CCN(CC3)C3CCCC3)o2)c2OCCCc12
CC(C)N1CC2C(C1)C2c1nnc(o1)-c1cc(Cl)c(N)c2CCCOc12
Nc1c(Cl)cc(-c2nnc(o2)C2C3CN(CC4CCC4)CC23)c2OCCCc12
Nc1c(Cl)cc(-c2nnc(o2)C2C3CN(CC4CC4)CC23)c2OCCCc12
Nc1c(Cl)cc(-c2nnc(o2)C2CCN(CC2)C2CCOCC2)c2OCCCc12
Nc1c(Cl)cc(-c2nnc(o2)C2CCN(CC3CCOCC3)CC2)c2OCCCc12
Nc1c2CCOc2c(cc1Cl)-c1nnc(o1)C1CCN(CC1)C1CC1
Nc1c2CCOc2c(cc1Cl)-c1nnc(o1)C1CCN(CC1)C1CCC1
Nc1c(Cl)cc(-c2nnc(o2)C2CCN(CC2)C2CC2)c2OCCOc12
Nc1c(Cl)cc(-c2nnc(o2)C2CCN(CC2)C2CCOCC2)c2OCCOc12
COCCCN1CCC(CC1)c1nnc(o1)-c1cc(Cl)c(N)c2OCCOc12
Nc1c2CCOc2c(cc1Cl)-c1nnc(o1)C1CCN(CC2CCOCC2)CC1
CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1nnc(o1)-c1cc(Cl)c(N)c2CCOc12
CC(C)n1nc(-c2nnc(o2)C2CCN(CC3CCC3)CC2)c2ccccc12
COCCN1CCC(CC1)c1nnc(o1)-c1nn(C(C)C)c2ccccc12
CC(C)n1nc(-c2nnc(o2)C2CCN(CC2)C2CCC2)c2ccccc12
CC(C)N1CCC(CC1)c1nnc(o1)-c1nn(C(C)C)c2ccccc12
CC(C)n1nc(-c2nnc(o2)C2CCN(CC3CC3)CC2)c2ccccc12
CC(C)CCN1CCC(CC1)c1nnc(o1)-c1nn(C(C)C)c2ccccc12
CC(C)n1nc(-c2nnc(o2)C2CCN(CC2)C2CC2)c2ccccc12
CC(C)n1nc(-c2nnc(o2)C2CCN(CC2)C2CCCC2)c2ccccc12
CC(C)n1nc(-c2nnc(o2)C2CCN(CC3CCOCC3)CC2)c2ccccc12
CC(C)n1nc(-c2nnc(o2)C2CCN(CC2)C2CCOCC2)c2ccccc12
CC(C)n1nc(-c2nnc(CCN3CCCCC3)o2)c2ccccc12
CCCCN1CCC(CCC(=O)c2ccc(N)cc2OC)CC1
CCCCN1CCC(CCC(=O)c2cc(Br)ccc2OC)CC1
CCCCN1CCC(CCC(=O)c2cc(I)c(N)cc2OC)CC1
COc1cc(N)ccc1C(=O)CCC1CCN(CC2CCCCC2)CC1
COc1cc(N)c(F)cc1C(=O)CCC1CCN(CC2CCCCC2)CC1
COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CC2)CC1
COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCC2)CC1
COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCC2)CC1
COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCC2)CC1
COc1cc(N)c(Cl)cc1C(=O)C(C)CC1CCN(CC2CCCCC2)CC1
COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCC2C)CC1
COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCCC2)CC1
COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCNCC2)CC1
COc1cc(N)c(Br)cc1C(=O)CCC1CCN(CC2CCCCC2)CC1
COc1cc(N)c(I)cc1C(=O)CCC1CCN(CC2CCCCC2)CC1
COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCC2CCCCC2)CC1
COc1c(CC2CCN(CC3CCCCC3)CC2)c(N)c(Cl)cc1C(N)=O
COc1cc(N)c(Br)cc1C(=O)NCC1CCN(CC2CCCCC2)CC1
COc1cc(N)c(I)cc1C(=O)NCC1CCN(CC2CCCCC2)CC1
COc1cc(N)c(Cl)cc1C(=O)OCC1CCN(CC2CCCCC2)CC1
Nc1cc(O)c(cc1Cl)C(=O)CCC1CCN(CC2CCCCC2)CC1
CCOc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCC2)CC1
Nc1cc(OCCF)c(cc1Cl)C(=O)CCC1CCN(CC2CCCCC2)CC1
CON=C(CCC1CCN(CC2CCCCC2)CC1)c1cc(Cl)c(N)cc1OC |w:2.1|
COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
NCCc1c[nH]c2ccc(O)cc12
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)Cc1ccccc1Cl
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCN1C(=O)c2cccc3c(N)ccc(C1=O)c23
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCNCCCc1ccc(CCCNCCCC(=O)NC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)cc1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCNCCCc1ccccc1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCCNS(=O)(=O)c2ccc(C)cc2)CC1
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:5.4,13.13|
COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCC2CCN(CCNS(C)(=O)=O)CC2)cc(OC)c1
Cn1cc(CCN)c2cc(O)ccc12
COc1ccc2c(c1)c(c[nH]2)CCN
CCCN(CCC)C1CCc2cccc(O)c2C1
COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |THB:9:7:1:3.4|
c1ccc2c(c1)C(=O)N(C(=O)N2)CCN3CCC(CC3)C(=O)c4ccc(cc4)F
CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C
COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCCC1C2 |TLB:12:13:17.18.19:21|
CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)|
c1cc2c(cc1C(=O)N)c(c[nH]2)CCN
CCn1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O |TLB:12:13:20:16.17|
CC(C)n1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O |TLB:13:14:21:17.18|
Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC
COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2 |wD:13.13,TLB:12:13:17.16:19.20,(11.11,-14.18,;11.11,-12.63,;9.77,-11.88,;8.43,-12.66,;7.09,-11.89,;5.75,-12.66,;7.09,-10.33,;5.76,-9.57,;8.43,-9.56,;9.75,-10.36,;11.09,-9.59,;11.11,-8.04,;12.44,-10.36,;13.77,-9.59,;14.8,-8.58,;16.63,-8.19,;17.94,-9.45,;16.9,-10.39,;15.57,-9.1,;15.88,-7.77,;16.88,-7.14,)|
COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CN2CCC1CC2 |wU:13.13,TLB:12:13:17.16:19.20,(11.11,-14.18,;11.11,-12.63,;9.77,-11.88,;8.43,-12.66,;7.09,-11.89,;5.75,-12.66,;7.09,-10.33,;5.76,-9.57,;8.43,-9.56,;9.75,-10.36,;11.09,-9.59,;11.11,-8.04,;12.44,-10.36,;13.77,-9.59,;14.8,-8.58,;16.63,-8.19,;17.94,-9.45,;16.9,-10.39,;15.57,-9.1,;15.88,-7.77,;16.88,-7.14,)|
NCCc1c[nH]c2ccccc12
CC(C)n1c2ccccc2n(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C)c1=O
CCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1
NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12|
S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
FC(F)(F)c1ccc(cc1)N1CCN(CCn2c3ccccc3[nH]c2=O)CC1
c1cnc(nc1)N2CCN(CC2)CCCCN3C(=O)CC4(CCCC4)CC3=O
CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Cc1cc(NC(=O)Nc2ccc3n(C)ccc3c2)sn1
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
CN1C2CCC1CC(C2)NC(=O)n1c2ccccc2[nH]c1=O |TLB:9:7:1:3.4|
COc1ccc2[nH]c(=O)n(C(=O)OC3CC4CCC(C3)N4C)c2c1 |TLB:12:13:20:16.17|
COc1[nH]c2ccc(F)cc2c1C(=O)OCC1CCN(CCN[S](C)(=O)=O)CC1
COC1CN(CCCC(=O)N2CCC(CC2)N(C)C)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
COc1ccc2[nH]cc(C3=CCCNC3)c2c1 |t:9|
CCCC[N+]12CCC(C1)C(CC2)NC(=O)c1cc(Cl)c(N)cc1OC
COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12
COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC
COc1cc(N)c(Cl)cc1C(=O)OCCCN1CCCCC1
COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCCCN2CCCCC2)cc(OC)c1
CCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3OCCOc23)CC1
CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F
Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1Cl
COc1cc(N)c(Cl)cc1C(=O)OCC1CCN(CCc2ccc3OCCOc3c2)CC1
Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25|
C[C@H](CCN1CCC(C)CC1)N(C)S(=O)(=O)c1cccc(C)c1
COc1cc(N)c(Cl)cc1C(=O)OCCN1C[C@@H](C)C[C@@H](C)C1
CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1
CCCCCCOc1c(nsn1)C2=CCCN(C2)C
CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1
COc1ccc2[nH]cc(C=NN=C(N)NCCCCO)c2c1 |w:9.8,11.10|
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(Br)c2)CC1
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(C)c2)CC1
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r|
O=C(NC1CC[C@H](CCN2CCc3cc(ccc3C2)C#N)CC1)c1ccnc2ccccc12 |wD:6.6,(-3.87,-1.76,;-3.86,-3.3,;-2.52,-4.08,;-1.18,-3.3,;-1.19,-1.76,;.15,-.99,;1.48,-1.76,;2.83,-.99,;4.16,-1.76,;5.49,-.99,;5.49,.54,;6.84,1.31,;8.17,.53,;9.5,1.3,;10.83,.53,;10.81,-1.01,;9.48,-1.78,;8.16,-1.01,;6.84,-1.78,;12.17,1.29,;13.5,2.07,;1.48,-3.3,;.15,-4.08,;-5.19,-4.09,;-5.19,-5.64,;-6.54,-6.41,;-7.87,-5.64,;-7.87,-4.09,;-9.19,-3.33,;-9.2,-1.81,;-7.87,-1.03,;-6.54,-1.78,;-6.54,-3.33,)|
O=C(OCCN1CCCCC1)c1c[nH]c2ccccc12
CCCCN1CCC(COC(=O)c2cc(I)c(N)c3OCCOc23)CC1
CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3
COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
Nc1c(Cl)cc(-c2nn(C3CCN(CCc4ccccc4)CC3)c(=O)o2)c2OCCOc12
O=C1Nc2cccc3ccc(CCCCN4CCC(=CC4)c4ccccc4)c1c23 |c:18|
CNCCC(Oc1ccccc1C)c1ccccc1
CCCN(CCC)CCc1cccc2NC(=O)Cc12
CCCN1CCOC2C1CCc1ccc(cc21)C(N)=O
CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2cncn2)CC1
COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2cnnn2)CC1
COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2ccc3ccccc23)CC1
COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2ccnc2C)CC1
COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCCCn2ccc3ccccc23)CC1
COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCCCn2ccnn2)CC1
COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2ccnn2)CC1
COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2nccn2)CC1
COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2cccnc2)CC1
COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2cn(C)c3ccccc23)CC1
COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2ncc[nH]2)CC1
COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2cccn2C)CC1
COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2ccc(F)cc2)CC1
COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2ccc(O)cc2)CC1
COc1cc(N)c(Cl)cc1C(=O)NCC1CCNC(Cc2c[nH]c3ccccc23)C1
CN(C)CCOc1c2-c3ccccc3S(=O)(=O)n2c2ccccc12
CN(C)CCOc1c2-c3ccccc3S(=O)(=O)n2c2cc(Cl)ccc12
CC(C)n1c(=O)c(C(=O)NC2CC3CCC(C2)N3C[C@@H](O)CN(C)S(C)(=O)=O)cc2cccn21
CC(C)n1c(=O)c(C(=O)NC2CC3CCC(C2)N3C[C@@H](O)CN(C)S(C)(=O)=O)cc2cccn21
CC(C)n1c(=O)c(C(=O)NC2CC3CCC(C2)N3C[C@H](O)CN(C)S(C)(=O)=O)cc2cccn21
CC(C)n1c(=O)c(C(=O)NC2CC3CCC(C2)N3C[C@H](O)CN(C)S(C)(=O)=O)cc2cccn21
CC(C)n1c(=O)c(C(=O)NC2CC3CCC(C2)N3CC(O)CN(C)S(C)(=O)=O)cc2cccn21
CC(C)n1c(=O)c(C(=O)NC2CC3CCC(C2)N3CC(O)CN(C)S(C)(=O)=O)cc2cccn21
CC(C)n1c(=O)c(C(=O)NC2CC3CCC(C2)N3C[C@@H](O)CN(C)S(C)(=O)=O)c(O)c2cccn21
CC(C)n1c(=O)c(C(=O)NC2CC3CCC(C2)N3C[C@@H](O)CN(C)S(C)(=O)=O)c(O)c2cccn21
CC(C)n1c(=O)c(C(=O)NC2CC3CCC(C2)N3C[C@@H](O)CNS(C)(=O)=O)cc2cccn21
CC(=O)N(C)C[C@H](O)CN1C2CCC1CC(NC(=O)c1cc3cccn3n(C(C)C)c1=O)C2
CC(C)n1c(=O)c(C(=O)NC2CC3CCC(C2)N3C[C@@H](O)CN2CCN(S(C)(=O)=O)CC2)cc2cccn21
CC(C)n1c(=O)c(C(=O)NC2CC3CCC(C2)N3C[C@@H](O)CN2CCN(S(C)(=O)=O)CC2)c(O)c2cccn21
CC(C)n1c(=O)c(C(=O)NC2CC3CCC(C2)N3CCCN(C)S(C)(=O)=O)cc2cccn21
CC(C)n1c(=O)c(C(=O)NC2CC3CCC(C2)N3CCCNC=O)cc2cccn21
CC(C)n1c(=O)c(C(=O)NC2CC3CCC(C2)N3CCCNS(=O)(=O)C(C)C)cc2cccn21
CC(C)n1c(=O)c(C(=O)NC2CC3CCC(C2)N3CCNS(C)(=O)=O)cc2cccn21
CC(C)n1c(=O)c(C(=O)NC2CC3CCC(C2)N3CCNS(=O)(=O)C(C)C)cc2cccn21
CC(=O)NCCCN1C2CCC1CC(NC(=O)c1cc3cccn3n(C(C)C)c1=O)C2
COC(=O)NCCCN1C2CCC1CC(NC(=O)c1cc3cccn3n(C(C)C)c1=O)C2
COC(=O)NCCCN1C2CCC1CC(NC(=O)c1cc3cccn3n(C(C)C)c1=O)C2
COC(=O)NCCN1C2CCC1CC(NC(=O)c1cc3cccn3n(C(C)C)c1=O)C2
CC(=O)N1CCN(CCN2C3CCC2CC(NC(=O)c2cc4cccn4n(C(C)C)c2=O)C3)CC1
c1cc(cc(c1)Cl)CCNCCc2ccc3ccc(nc3c2)N
COCCCN1CCC(CNC(=O)c2cccc3c(Cl)c(nn23)C(C)C)CC1
CC(C)c1cn2cccc(C(=O)NCC3C4CN(CC(C)(C)O)CC34)c2n1
COCCCN1CCC(CNC(=O)c2cccn3cc(nc23)C(C)C)CC1
CC(C)n1c2sccc2c(O)c(C(=O)NCCCN2CCCCC2)c1=O
COCCCN1CCC(CC1)c1nnc(o1)-c1cccc2cc(nn12)C(C)C
CC(C)N1CCC(CNC(=O)c2cccc3nc(nn23)C(C)C)CC1
CC(C)c1cn2cccc(-c3nnc(o3)C3CCN(CC4CCOCC4)CC3)c2n1
COCCCN1CC2C(CNC(=O)c3cccn4cc(nc34)C(C)C)C2C1
COCCCN1CCC(CNC(=O)c2nc(C(C)C)c3ccccn23)CC1
OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1 |r|
CC(C)c1cc2cccc(-c3nnc(o3)C3CCN(CC4CCOCC4)CC3)n2n1
CC(C)c1nc2cccc(C(=O)NCC3CCN(CC4CCOCC4)CC3)n2n1
COCCCN1CCC(CNC(=O)c2cccc3nc(nn23)C(C)C)CC1
CC(C)c1nn2c(cccc2c1Cl)C(=O)NCC1C2CN(CC12)C1CCOCC1
COC(=O)N1CCC(CN2CC3C(CNC(=O)c4cccc5cc(nn45)C(C)C)C3C2)CC1
COCCCN1CC2C(CNC(=O)c3cccc4cc(nn34)C(C)C)C2C1
CC(C)c1cc2cccc(C(=O)NCC3C4CN(CC5CCOCC5)CC34)n2n1
CC(C)c1cc2cccc(C(=O)NCC3CCN(CC4CCOCC4)CC3)n2n1
COCCCN1CCC(CC1)c1nnc(o1)-c1cccn2cc(nc12)C(C)C
COCCCN1CCC(CNC(=O)c2cccn3nc(nc23)C(C)C)CC1
COCCCN1CC2C(CNC(=O)c3cccn4c(Cl)c(nc34)C(C)C)C2C1
COCCCN1CCC(CNC(=O)c2cccn3c(Cl)c(nc23)C(C)C)CC1
CC(C)c1cn2cccc(C(=O)NCC3C4CN(CC5CCOCC5)CC34)c2n1
CC(C)N1CC2C(CNC(=O)c3cccn4cc(nc34)C(C)C)C2C1
CC(C)c1cn2cccc(C(=O)NCC3CCN(CC4(O)CCCCC4)CC3)c2n1
CC(C)c1cn2cccc(C(=O)NCC3CCN(CC4(O)CCOCC4)CC3)c2n1
COC(=O)N1CCC(CC1)N1CCC(CNC(=O)c2cccn3cc(nc23)C(C)C)CC1
CC(C)c1cn2cccc(C(=O)NCC3CCN(CC4CCOCC4)CC3)c2n1
CC(C)c1nc(-c2nnc(o2)C2CCN(CC3CCOCC3)CC2)n2ccccc12
COCCCN1CCC(CC1)c1nnc(o1)-c1nc(C(C)C)c2ccccn12
CC(C)c1nc(C(=O)NCC2C3CN(CC23)C2CCOCC2)n2ccccc12
COCCCN1CC2C(CNC(=O)c3nc(C(C)C)c4ccccn34)C2C1
CC(C)c1nc(C(=O)NCC2CCN(CC2)C2CCOCC2)n2ccccc12
COC(=O)N1CCC(CN2CCC(CNC(=O)c3nc(C(C)C)c4ccccn34)CC2)CC1
CC(C)N1CCC(CNC(=O)c2nc(C(C)C)c3ccccn23)CC1
COCCCN1CCC(CNC(=O)c2cccc3cc(nn23)C(C)C)CC1
CC(C)N1CCC(CC1)c1nnc(o1)-c1cccc2cc(nn12)C(C)C
COCCCN1CC2C(CNC(=O)c3cccc4c(Cl)c(nn34)C(C)C)C2C1
CC(C)N1CCC(CNC(=O)c2cccc3cc(nn23)C(C)C)CC1
CC(C)c1nc2c(cccn2n1)C(=O)NCC1CCN(CC2CCOCC2)CC1
CC(C)c1cn2cccc(C(=O)NCC3C4CN(CC34)C3CCOCC3)c2n1
CC(C)c1cn2cccc(C(=O)NCC3CCN(CC(C)(C)O)CC3)c2n1
COC(=O)N1CCC(CN2CCC(CNC(=O)c3cccn4cc(nc34)C(C)C)CC2)CC1
CC(C)N1CCC(CC1)c1nnc(o1)-c1nc(C(C)C)c2ccccn12
CC(C)c1nc(C(=O)NCC2CCN(CC3CCOCC3)CC2)n2ccccc12
CC(C)N1CCC(CNC(=O)c2cccn3cc(nc23)C(C)C)CC1
CCCCOc1ccc(cc1)C1=N[C@@H](CO)[C@H](C)S1 |r,t:12|
CCCCCCOc1ccc(cc1)C1=N[C@@H](CO)[C@H](C)S1 |r,t:14|
Fc1ccc(cc1)-c1n[nH]c2CCNCCc12
Clc1ccc(cc1)-c1n[nH]c2CCNCCc12
Cc1ccc(cc1)-c1noc2CCNCCc12
Fc1ccc(cc1)-c1noc2CCNCCc12
Cc1ccc(cc1)-c1n[nH]c2CCNCCc12
Clc1ccc(cc1)-c1noc2CCNCCc12
CCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OCc2cc(OC)cc(OC)c2)CC1
COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCC2CCN(CCN(C)S(C)(=O)=O)CC2)cc(OC)c1
COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCC2CCN(CCCNS(C)(=O)=O)CC2)cc(OC)c1
CCCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OCc2cc(OC)cc(OC)c2)CC1
CS(=O)(=O)NCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OCc2ccccc2)CC1
COc1cc(N)c(Cl)cc1C(=O)CCCCN1CCCCC1
CCCOc1cc(N)c(Cl)cc1C(=O)CCCCN1CCCCC1
Cc1ccc2n(Cc3ccccc3)c(nc2c1)N1CCNCC1
Cc1cc2nc(N3CCNCC3)n(Cc3ccccc3)c2cc1C
CCCn1c(nc2ccccc12)N1CCNCC1
CCn1c(nc2ccccc12)N1CCNCC1
C1CC1n1c(nc2ccccc12)N1CCNCC1
Fc1ccc2n(Cc3ccccc3)c(nc2c1)N1CCNCC1
Clc1cc2nc(N3CCNCC3)n(Cc3ccccc3)c2cc1Cl
COc1cccc2nc(N3CCNCC3)n(Cc3ccccc3)c12
COc1ccc2n(Cc3ccccc3)c(nc2c1)N1CCNCC1
Cn1c(nc2ccccc12)N1CCNCC1
Oc1ccc2n(Cc3ccccc3)c(nc2c1)N1CCNCC1
C(c1ccccc1)n1c(nc2ccccc12)N1CCNCC1
COc1ccc2nc(N3CCNCC3)n(Cc3ccccc3)c2c1
COc1cccc2n(Cc3ccccc3)c(nc12)N1CCNCC1
Oc1ccc2nc(N3CCNCC3)n(Cc3ccccc3)c2c1
Clc1ccc2n(Cc3ccccc3)c(nc2c1)N1CCNCC1
O=C1Nc2cccc3CCCC1(CCCCN1CCC(=CC1)c1ccccc1)c23 |c:20|
CNC(=O)Cn1c2CN(CCCCC34CCCc5cccc(NC3=O)c45)CCc2c2ccccc12
Cc1ccc2c(OCCN3CCN(Cc4cccc5cccnc45)CC3)cccc2n1
COC(=O)CCCCCCCCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
CC(C)(C)C(=O)OCOC(=O)c1ccc(CN2CCC(CNC(=O)c3c4OCCCn4c4ccccc34)CC2)cc1
COC(=O)CCCCCCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
COC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
CCOC(=O)CCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
CC(C)(C)OC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
O=C(CCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1)OCc1ccccc1
OC(=O)CCCCCCCCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
OC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
OC(=O)CCCN1CCC(COC(=O)c2c[nH]c3ccccc23)CC1
OC(=O)CCCN1CCC(CNC(=O)c2c[nH]c3ccccc23)CC1
OC(=O)CCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
CCOP(=O)(CCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1)OCC
CC(C)(C)OC(=O)CN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
OC(=O)CCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
OC(=O)CCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
CCOC(=O)CCCN1CCC(CNC(=O)c2c[nH]c3ccccc23)CC1
O=C(CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1)OCc1ccccc1
CC(C)(C)C(=O)OCOC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
O=C(CCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1)OCc1ccccc1
OC(=O)c1ccc(CN2CCC(CNC(=O)c3c4OCCCn4c4ccccc34)CC2)cc1
OC(=O)CN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
CC(C)(C)OC(=O)CCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
CC(C)(C(O)=O)c1ccc(CN2CCC(COC(=O)c3c4OCCCn4c4ccccc34)CC2)cc1
Cc1nccn1CC2CCc3c(c4ccccc4n3C)C2=O
Cc1nccn1C[C@H]1CCc2c(C1=O)c1cccc3CCCn2c13
COC(=O)N1CCC(CN2CCC(CNC(=O)c3cccc4nc([nH]c34)C(C)C)CC2)CC1
[H][C@@]12CN(CC(C)(C)COC)C[C@]1([H])[C@H]2CNC(=O)c1nc(C(C)C)n2ccccc12 |r|
CC(C)c1nc(C(=O)NCC2CN(CCO2)C2CCOCC2)c2ccccn12
CC(C)c1nc(C(=O)NCC2CN(CCO2)C2CCC2)c2ccccn12
CC(C)c1nc(C(=O)NC2CCN(CC3CCC3)CC2)c2ccccn12
CC(C)c1nc(-c2nnc(o2)C2CCN(CC3CCC3)CC2)c2ccccn12
CC(C)c1nc(C(=O)NC2CCN(CC3CCOC3)CC2)c2ccccn12
[H][C@@]12CN(CC(C)(C)F)C[C@]1([H])[C@H]2CNC(=O)c1nc(C(C)C)n2ccccc12 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1nc(C(C)C)n2ccccc12)C1CCOCC1 |r|
CC(C)c1nc(C(=O)NC2CCN(CC3(F)CCOCC3)CC2)c2ccccn12
CC(C)c1nc(C(=O)NC2CCN(CC(C)(C)O)CC2)c2ccccn12
CC(C)c1nc(C(=O)NC2CCN(CC3CC3)CC2)c2ccccn12
COCCCN1CCC(CC1)c1nnc(o1)-c1nc(C(C)C)n2ccccc12
CC(C)c1nc(-c2nnc(o2)C2CCN(CC3CC3)CC2)c2ccccn12
CC(C)c1nc(C(=O)NCC2(C)CCN(CC3CCOCC3)CC2)c2ccccn12
CC(C)c1nc(C(=O)NCC2(O)CCN(CC3CCOCC3)CC2)c2ccccn12
CC(C)c1nc(C(=O)NCC2(F)CCN(CC3CCOCC3)CC2)c2ccccn12
COCCCN1CCC(F)(CNC(=O)c2nc(C(C)C)n3ccccc23)CC1
CC(C)c1nc(C(=O)NCC2CCN(CC2)C2CCC2)c2ccccn12
CC(C)c1nc(C(=O)NCC2CCN(CC3CCOCC3)CC2)c2ccccn12
[H][C@@]12CN(CCCOC)C[C@]1([H])[C@H]2CNC(=O)c1nc(C(C)C)n2ccccc12 |r|
CC(C)c1nc(C(=O)NC2CCN(CC(C)(C)F)CC2)c2ccccn12
COCCCN1CCC(CC1)NC(=O)c1nc(C(C)C)n2ccccc12
CC(C)N1CCC(CC1)NC(=O)c1nc(C(C)C)n2ccccc12
CC(C)c1nc(-c2nnc(o2)C2CCN(CC2)C2CCC2)c2ccccn12
COCCCN1CCC(O)(CNC(=O)c2nc(C(C)C)n3ccccc23)CC1
COCCN1CCC(CC1)NC(=O)c1nc(C(C)C)n2ccccc12
CC(C)c1nc(C(=O)NCC2(O)CCN(CC(C)(C)O)CC2)c2ccccn12
[H][C@@]12CN(CC(C)(C)CO)C[C@]1([H])[C@H]2CNC(=O)c1nc(C(C)C)n2ccccc12 |r|
[H][C@@]12CN(CC3CCN(CC3)C(=O)OC)C[C@]1([H])[C@H]2CNC(=O)c1nc(C(C)C)n2ccccc12 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1nc(C(C)C)n2ccccc12)C1CCN(CC1)C(=O)OC |r|
[H][C@@]12CN(CC3CCOCC3)C[C@]1([H])[C@H]2CNC(=O)c1nc(C(C)C)n2ccccc12 |r|
[H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1nc(C(C)C)n2ccccc12)C(C)C |r|
CC(C)c1nc(C(=O)NC2C3CN(CC(C)(C)O)CC23)c2ccccn12 |@:9|
COCCCN1CC2C(C1)C2NC(=O)c1nc(C(C)C)n2ccccc12 |@:10|
COCC(C)(C)CN1CCC(CC1)NC(=O)c1nc(C(C)C)n2ccccc12
CC(C)c1nc(C(=O)NC2CCN(CCF)CC2)c2ccccn12
CC(C)N1CCC(CC1)c1nnc(o1)-c1nc(C(C)C)n2ccccc12
CCN1CCC(CC1)NC(=O)c1nc(C(C)C)n2ccccc12
[H][C@@]12CN(CC(C)(C)O)C[C@]1([H])[C@H]2CNC(=O)c1nc(C(C)C)n2ccccc12 |r|
CC(C)c1nc(C(=O)NC2CCN(CC2)C2CCOCC2)c2ccccn12
[H][C@@]12CN(CC3CCC3)C[C@]1([H])[C@H]2CNC(=O)c1nc(C(C)C)n2ccccc12 |r|
CC(C)c1nc(C(=O)NC2C3CN(CC4CCOCC4)CC23)c2ccccn12 |@:9|
CC(C)c1nc(C(=O)NC2CC3CCC(C2)N3CC2(O)CCOCC2)c2ccccn12
CC(C)n1c2ccccc2n(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c1=O
CC(C)c1nc(C(=O)NCC2CCN(CC2)C2CCOCC2)c2ccccn12
[H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1nc(C(C)C)n2ccccc12)C1CCC1 |r|
CC(C)c1nc(C(=O)NC2CC3CCC(C2)N3CC(C)(C)O)c2ccccn12
CC(C)c1nc(C(=O)NC2CCN(CC3(O)CCOCC3)CC2)c2ccccn12
COCCCN1CCC(CNC(=O)c2nc(C(C)C)n3ccccc23)CC1
COc1cc(N)c(Cl)cc1NC(=O)OCCN1CCC(C)CC1
CCN(CC)CCOC(=O)Nc1cc(Cl)c(N)cc1OC
COc1cc(N)c(Cl)cc1NC(=O)OCCN1CC(C)CC(C)C1
COc1cc(N)c(Cl)cc1NC(=O)OCCN1CCCC1
COc1cc(N)c(Cl)cc1NC(=O)OCCN1CCCCC1
COc1cc(N)c(Cl)cc1NC(=O)OCCN1CCCCCC1
CCOc1ccccc1NC(=O)OCCN1C[C@H](C)C[C@@H](C)C1
Nc1cccc(NC(=O)OCCN2CCCCC2)c1
O=C(Nc1ccccc1)OCCN1CCCCC1
Nc1ccccc1NC(=O)OCCN1CCCCC1
COc1ccc(Cl)cc1NC(=O)OCCN1CCCCC1
CCOc1ccccc1NC(=O)OCCN1CCCCC1
COc1cccc(NC(=O)OCCN2CCCCC2)c1
Clc1cccc(NC(=O)OCCN2CCCCC2)c1
COc1cc(N)c(Cl)cc1NC(=O)OCCN1CCCC(C)C1
CCOc1ccccc1NC(=O)OCCN1C[C@@H](C)C[C@@H](C)C1
COc1cc(N)c(Cl)cc1NC(=O)CCCN1CCCCC1
COc1ccccc1NC(=O)CCCN1CCCCC1
COc1ccccc1NC(=O)OCCN1C[C@@H](C)C[C@@H](C)C1
COc1ccccc1NC(=O)OCCN1CCCCC1
COc1ccc(NC(=O)OCCN2CCCCC2)cc1
Clc1ccccc1NC(=O)OCCN1CCCCC1
COc1ccccc1NC(=O)OCCCN1CCCCC1
Clc1ccc(NC(=O)OCCN2CCCCC2)cc1
Nc1ccc(NC(=O)OCCN2CCCCC2)cc1
COc1c2cc[nH]c2c(cc1C(=O)CCC3CCN(CC3)CC4CCCCC4)Cl
COc1c(ccc2[nH]ccc12)C(=O)CCC1CCN(CC2CCCCC2)CC1
Clc1cc(cc2cc[nH]c12)C(=O)CCC1CCN(CC2CCCCC2)CC1
O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2[nH]ccc2c1
O=C(CCC1CCN(CC2CCCCC2)CC1)c1ccc2[nH]ccc2c1
CCCCN1CCC(CCC(=O)c2ccc3[nH]ccc3c2)CC1
COc1c2cc[nH]c2c(cc1C(=O)CCC3CCN(CC3)Cc4ccccc4)Cl
O=C(CCC1CCN(CC2CCCC2)CC1)c1ccc2[nH]ccc2c1
COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2ccc(O)c(O)c2)CC1
COc1cc(\C=C\C(=O)NCCN2CCC(CCC(=O)c3cc(Cl)c(N)cc3OC)CC2)ccc1O
COc1ccc(CN2CCC(CCC(=O)c3cc(Cl)c(N)cc3OC)CC2)cc1O
Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 |(29.98,-5.28,;29.99,-6.82,;28.67,-7.59,;28.68,-9.13,;27.35,-9.9,;27.36,-11.44,;28.69,-12.2,;28.7,-13.75,;27.36,-14.52,;26.03,-13.75,;24.57,-14.23,;23.66,-13,;24.55,-11.74,;26.02,-12.21,;30.02,-9.9,;31.35,-9.12,;31.34,-7.58,;32.66,-6.8,;34,-7.57,;34.01,-9.11,;35.33,-6.79,;35.32,-5.25,;33.97,-4.49,;33.64,-2.99,;32.12,-2.84,;31.5,-4.24,;32.64,-5.27,)|
FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12
Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F |(17.28,-55.18,;17.28,-53.64,;18.61,-52.87,;18.61,-51.33,;17.26,-50.56,;16.94,-49.07,;15.41,-48.91,;14.79,-50.31,;15.93,-51.33,;15.95,-52.87,;14.62,-53.65,;14.63,-55.19,;13.29,-55.96,;11.96,-55.19,;10.63,-55.96,;10.64,-57.5,;11.97,-58.26,;11.98,-59.81,;10.64,-60.59,;9.31,-59.81,;7.83,-60.29,;6.93,-59.04,;7.84,-57.79,;9.31,-58.27,;11.95,-53.66,;13.28,-52.88,;13.27,-51.34,;11.93,-50.58,;14.38,-50.56,;13.26,-49.79,)|
FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12
COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1
CCCCN1CCC(CNC(=O)c2cc(Cl)cn3ccnc23)CC1
Cc1cn2c(N)c(Cl)cc(C(=O)NCC3CCNCC3)c2n1
CCN1C2C=CC=CC2N(C(=O)NC2CC3CCC(C2)N3C)C1=O |c:4,6,TLB:21:20:13.19.14:16.17,THB:12:13:20:16.17|
CC(C)N1C2C=CC=CC2N(C(=O)NC2CC3CCC(C2)N3C)C1=O |c:5,7,TLB:22:21:14.20.15:17.18,THB:13:14:21:17.18|
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCNCC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ccccc1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)C(=O)OC(C)(C)C
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ncccn1
COc1cccc(c1)N1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ccc(Cl)nn1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ccccc1F
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1cccnn1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ccncc1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ccccn1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1cnccn1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1cccc2ccccc12
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ccccc1Cl
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ccc(F)cc1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1cncnc1
COc1ccc(cc1)N1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ccc(Cl)cc1
CCOC(=O)N1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(Cc2ccccc2)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1cccc(Cl)c1
COc1ccccc1N1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(C)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1cnc(Cl)nc1
CS(=O)(=O)NCCN1CCC(CNC(=O)c2cccc3nc[nH]c23)CC1
CCCCN1CCC(CNC(=O)c2cc(Cl)c(N)c3nc[nH]c23)CC1
CCCCN1CCC(CNC(=O)c2cc(Cl)c([N+]([O-])=O)c3nc[nH]c23)CC1
CCCCN1CCC(CNC(=O)c2cc(Br)c([N+]([O-])=O)c3nc[nH]c23)CC1
CN1CCC(CC1)NC(=O)c1cccc2nc[nH]c12
CS(=O)(=O)NCCN1CCC(COC(=O)c2cccc3nc[nH]c23)CC1
CN1CCC(CC1)NC(=O)c1cc(Cl)cc2nc[nH]c12
CC(C)CN1CCC(CNC(=O)c2cc(Cl)cc3n(Cc4ccccc4)cnc23)CC1
CN1CCC(CC1)OC(=O)c1cccc2nc[nH]c12
CCCCN1CCC(COC(=O)c2cccc3nc[nH]c23)CC1
CS(=O)(=O)NCCN1CCC(CNC(=O)c2cc(Cl)cc3nc[nH]c23)CC1
CCCCN1CCC(CNC(=O)c2cccc3nc[nH]c23)CC1
CCN1CCC(CC1)NC(=O)c1cccc2nc[nH]c12
CCCN1CCC(CC1)NC(=O)c1cccc2nc[nH]c12
CCCCN1CCC(CNC(=O)c2cc(Br)c(N)c3nc[nH]c23)CC1
CCCCCN1CCC(CNC(=O)c2cc(Cl)cc3nc[nH]c23)CC1
CCCCN1CCC(CNC(=O)c2ccc(N)c3nc[nH]c23)CC1
CCCCN1CCC(COC(=O)c2cc(Cl)cc3[nH]cnc23)CC1
CCCCN1CCC(CC1)NC(=O)c1cccc2nc[nH]c12
CS(=O)(=O)NCCN1CCC(COC(=O)c2cc(Cl)cc3[nH]cnc23)CC1
CCCCN1CCC(CNC(=O)c2cc(Cl)cc3nc[nH]c23)CC1
CC(C)CN1CCC(CNC(=O)c2cc(Cl)cc3n(C)cnc23)CC1
CC(C)CN1CCC(CNC(=O)c2cc(Cl)cc3nc[nH]c23)CC1
CCCCN1CCC(CNC(=O)c2cc(Br)cc3nc[nH]c23)CC1
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC2CCN(CC2)C(=O)C(C)N)CC1
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC2CCN(CC(O)CN)CC2)CC1
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC2CCN(CC(C)CN)CC2)CC1
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC2CCN(CC2)C(=O)CN)CC1
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC2CCN(CCCN)CC2)CC1
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC2CCN(CC2)C(=O)C(C)(C)N)CC1
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC2CCN(CC2)C(=O)CCN)CC1
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC2CCN(CC2)C(=O)CCCCN)CC1
CCCC(N)C(=O)N1CCC(CN2CCC(CC2)NC(=O)c2cc(Cl)c(N)cc2OC)CC1
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC2CCN(CCCCN)CC2)CC1
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC2CCN(CC2)C(=O)C(C)CN)CC1
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC2CCN(CC2)C(=O)C(N)C(C)C)CC1
COc1cc(N)c(Cl)cc1C(=O)NCC(O)CN1CCC(CN2CCC(N)CC2)CC1
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC2CCN(CCCCCN)CC2)CC1
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC2CCN(CCN)CC2)CC1
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC1)C(=O)C1CCN(CC1)C(=O)CCCN
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC2CCN(CC2)C(=O)CCCN)CC1
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC2CCN(CCCNS(C)(=O)=O)CC2)CC1
COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2cc(Br)c(N)c(Br)c2)CC1
COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2ccc(N)c(Br)c2)CC1
COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2ccc(N)cc2)CC1
COc1ccc(cc1Cl)S(=O)(=O)NCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
COc1ccc(cc1Br)S(=O)(=O)NCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
COc1ccc(c(OC)c1)S(=O)(=O)NCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
COc1ccc(cc1OC)S(=O)(=O)NCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2cc(Br)ccc2Br)CC1
COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2ccc3OCC(=O)Nc3c2)CC1
COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2ccc3OCCN(C)c3c2)CC1
COc1ccc(cc1N1CCN(C)CC1)S(=O)(=O)NCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1
COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1
COc1ccc(cc1)S(=O)(=O)NCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
COc1ccc(cc1)S(=O)(=O)CCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
COc1ccc(cc1)S(=O)(=O)NCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
CN1CCC(COc2nc3ccccc3c3NCCCc23)CC1
CCN1CCC(COc2nc3ccccc3c3NCCCCc23)CC1
CCCCCN1CCC(COc2nc3ccccc3c3NCCCc23)CC1
CCCN1CCC(COc2nc3ccccc3c3NCCCc23)CC1
CCCCN1CCC(COc2nc3ccccc3c3NCCCc23)CC1
CCCN1CCC(COc2nc3ccccc3c3NCCCCc23)CC1
CCCCN1CCC(COc2nc3ccccc3c3NCCCCc23)CC1
CCN1CCC(COc2nc3ccccc3c3NCCCc23)CC1
O=C1CN(CN2CCN(CC2)c2cccc3ccccc23)C(=O)C2CCCN12
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)C(=O)CCCCCCCCCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NS(=O)(=O)c1cccc2c(cccc12)N(C)C
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CN2C(=O)c3cccc4c(N)ccc(C2=O)c34)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)C(=O)CCCCCCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)C(=O)CCCCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2c(cccc12)N(C)C
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N(C)C)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNc2ccc([N+]([O-])=O)c3n[o+][n-]c23)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)C(=O)CNS(=O)(=O)c1cccc2c(cccc12)N(C)C
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CN2C(=O)c3cccc4c(ccc(C2=O)c34)N(C)C)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)C(=O)CCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)nc12
CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
Cc1cccc(c1)-c1n[nH]cc1N1CCCNCC1
Cc1ccc(cc1)-c1n[nH]cc1N1CCCNCC1
Clc1cccc(c1)-c1n[nH]cc1N1CCCNCC1
Clc1ccc(cc1)-c1n[nH]cc1N1CCCNCC1
Fc1cccc(c1)-c1n[nH]cc1N1CCCNCC1
Fc1ccc(cc1)-c1n[nH]cc1N1CCCNCC1
COc1ccccc1-c1n[nH]cc1N1CCCNCC1
COc1cccc(c1)-c1n[nH]cc1N1CCCNCC1
COc1ccc(cc1)-c1n[nH]cc1N1CCCNCC1
C1CNCCN(C1)c1c[nH]nc1-c1ccccc1
COc1ccccc1-c1n[nH]cc1N1CCNCC1
COc1cccc(c1)-c1n[nH]cc1N1CCNCC1
COc1ccc(cc1)-c1n[nH]cc1N1CCNCC1
C1CN(CCN1)c1c[nH]nc1-c1ccccc1
Clc1ccccc1-c1n[nH]cc1N1CCNCC1
Clc1cccc(c1)-c1n[nH]cc1N1CCNCC1
Clc1ccc(cc1)-c1n[nH]cc1N1CCNCC1
Fc1ccccc1-c1n[nH]cc1N1CCNCC1
Fc1cccc(c1)-c1n[nH]cc1N1CCNCC1
Fc1ccc(cc1)-c1n[nH]cc1N1CCNCC1
Cc1ccc(cc1)-c1n[nH]cc1N1CCNCC1
COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@]12C
COc1cccc(OC)c1-c1cccc2C[C@H](CCc12)N(C)C |wD:16.22,(2.58,2.38,;1.26,1.59,;-.09,2.35,;-.11,3.87,;-1.44,4.65,;-2.77,3.85,;-2.75,2.31,;-4.09,1.52,;-4.07,-.02,;-1.42,1.56,;-1.42,.02,;-2.73,-.76,;-2.73,-2.3,;-1.42,-3.07,;-.09,-2.3,;1.25,-3.07,;2.58,-2.32,;2.58,-.78,;1.25,.02,;-.09,-.76,;4.08,-2.72,;4.29,-4.24,;5.24,-1.69,)|
c1cc2c(cc1C#N)c(c[nH]2)CCCCN3CCN(CC3)c4ccc5c(c4)cc(o5)C(=O)N
CN1CCC(COC(=O)c2cc(Cl)c(N)c3OCCOc23)CC1
CCc1[nH]c2ccc(OC)cc2c1CCN(C)C
Cc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1 |t:13|
COc1ccc2[nH]c(C)c(C3=CCNCC3)c2c1 |t:10|
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCOCCOCCOCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCNC(=O)CCCCCC(=O)NCCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCOCCOCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCC(=O)NCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCNC(=O)CCCC(=O)NCCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)C(=O)CCCCCCCCCCC(=O)N1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCCCCCCCCCC(=O)NCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCOCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCc1ccc2c(c1)oc1cc(CCC(=O)NC3CCN(CCOC(=O)c4cc(Cl)c(N)cc4OC)CC3)ccc21
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCCCCCCCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCNC(=O)CCCCCCCCCCC(=O)NCCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCCCCCCC(=O)NC1CCN(Cc2ccccc2)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCc1cccc(CNC(=O)C2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)c1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCCC(=O)NCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCCCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCCCCCCN
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCCCCCCN(CCCCCCCCCCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1)CC(=O)NCC1CCNCC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)C(=O)CCCCCC(=O)N1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCCCCCCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCNC(=O)CCC(=O)NCCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCCCCC(=O)NCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1
C[C@H](N)Cn1ncc2ccc(O)cc12
CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1
OC(C(O)C(O)=O)C(O)=O.CC(C)n1nc(C(=O)NC2CCN(CCCO)CC2)c2ccccc12
OC(=O)C(O)=O.CC(C)n1nc(C(=O)NC2CCN(CCO)CC2)c2ccccc12
OC(C(O)C(O)=O)C(O)=O.CC(C)n1nc(C(=O)NC2CCN(CCF)CC2)c2ccccc12
OC(C(O)C(O)=O)C(O)=O.CC(C)n1nc(C(=O)NC2CCN(CC(C)(C)O)CC2)c2ccccc12
OC(C(O)C(O)=O)C(O)=O.CC(C)n1nc(C(=O)NC2CCN(CC(C)(C)F)CC2)c2ccccc12
Cl.CC(C)n1nc(C(=O)NC2CCN(CC(C)(C)CO)CC2)c2ccccc12
OC(C(O)C(O)=O)C(O)=O.COCC(C)(C)CN1CCC(CC1)NC(=O)c1nn(C(C)C)c2ccccc12
OC(=O)C(O)=O.CC(C)n1nc(C(=O)NC2CCN(CC2)C2CCOCC2)c2ccccc12
OC(C(O)C(O)=O)C(O)=O.CC(C)n1nc(C(=O)NC2CCN(CC3CCOCC3)CC2)c2ccccc12
OC(C(O)C(O)=O)C(O)=O.CC(C)n1nc(C(=O)NC2CCN(CC3(O)CCOCC3)CC2)c2ccccc12
CC(C)n1nc(C(=O)NC2CCN(CC3(F)CCOCC3)CC2)c2ccccc12
OC(=O)C(O)=O.COCCCN1CCC(CC1)NC(=O)c1nn(C(C)C)c2ccccc12
OC(C(O)C(O)=O)C(O)=O.CC(C)n1nc(C(=O)NC2CCN(CC(C)(C)C(O)=O)CC2)c2ccccc12
CC(C)n1nc(C(=O)NCC2CCN(CC3CCOCC3)CC2)c2ccccc12
OC(=O)C(O)=O.COCCCN1CCC(O)(CC1)NC(=O)c1nn(C(C)C)c2ccccc12
OC(=O)C(O)=O.CC(C)n1nc(C(=O)NC2(O)CCN(CC3CCOCC3)CC2)c2ccccc12
COCCCN1CCC(F)(CC1)NC(=O)c1nn(C(C)C)c2ccccc12
COCCCN1CCOC(C1)NC(=O)c1nn(C(C)C)c2ccccc12
COCCCC12CNCC1C2NC(=O)c1nn(C(C)C)c2ccccc12
CC(C)n1nc(C(=O)NC2C3CN(CCF)CC23)c2ccccc12
CC(C)n1nc(C(=O)NC2C3CN(Cc4ccccc4)CC23)c2ccccc12
COCCCN1CC2C(CNC(=O)c3nn(C(C)C)c4ccccc34)C2C1
OC(=O)C(O)=O.CC(C)n1nc(C(=O)NCC2C3CN(CC23)C2CCOCC2)c2ccccc12
OC(=O)C(O)=O.CC(C)n1nc(C(=O)NC2C3CN(CC4CCOCC4)CC23)c2ccccc12
OC(=O)C(O)=O.COC(=O)N1CCC(CN2CC3C(CNC(=O)c4nn(C(C)C)c5ccccc45)C3C2)CC1
OC(=O)C(O)=O.COC(=O)N1CCC(CC1)N1CC2C(CNC(=O)c3nn(C(C)C)c4ccccc34)C2C1
COCCCN1C2CCC1CC(C2)NC(=O)c1nn(C(C)C)c2ccccc12
CC(C)n1nc(C(=O)NC2CC3CCC(C2)N3CCF)c2ccccc12
CC(C)n1nc(C(=O)NC2CC3CCC(C2)N3CCCCF)c2ccccc12
OC(C(O)C(O)=O)C(O)=O.CC(C)n1nc(C(=O)NC2CC3CCC(C2)N3CC(C)(C)O)c2ccccc12
CC(C)n1nc(C(=O)NC2CC3CCC(C2)N3CC2CC2)c2ccccc12
OC(C(O)C(O)=O)C(O)=O.CC(C)n1nc(C(=O)NC2CC3CCC(C2)N3CC2CCOCC2)c2ccccc12
OC(C(O)C(O)=O)C(O)=O.CC(C)n1nc(C(=O)NC2CC3CCC(C2)N3CC2(O)CCOCC2)c2ccccc12
OC(=O)C(O)=O.CC(C)n1nc(C(=O)NCC2CC3CCC(C2)N3CC2(F)CCOCC2)c2ccccc12
OC(=O)C(O)=O.CC(C)n1nc(-c2nnc(o2)C2CCNCC2)c2ccccc12
OC(=O)C(O)=O.CC(C)n1nc(-c2nnc(o2)C2CCN(CCc3ccccc3)CC2)c2ccccc12
CC(C)n1nc(-c2nnc(o2)C2CCN(CCF)CC2)c2ccccc12
OC(=O)C(O)=O.CC(C)n1nc(-c2nnc(o2)C2CCN(CCCO)CC2)c2ccccc12
OC(=O)C(O)=O.CSCCCN1CCC(CC1)c1nnc(o1)-c1nn(C(C)C)c2ccccc12
OC(=O)C(O)=O.CC(C)n1nc(-c2nnc(o2)C2CCN(CC(C)(C)O)CC2)c2ccccc12
OC(=O)C(O)=O.CC(C)n1nc(-c2nnc(o2)C2CCN(CCC(C)(C)O)CC2)c2ccccc12
OC(=O)C(O)=O.COCC(C)(C)CN1CCC(CC1)c1nnc(o1)-c1nn(C(C)C)c2ccccc12
OC(=O)C(O)=O.CC(C)n1nc(-c2nnc(o2)C2CCN(CC3(O)CCCC3)CC2)c2ccccc12
OC(=O)C(O)=O.CC(C)n1nc(-c2nnc(o2)C2CCN(CC3(O)CCOCC3)CC2)c2ccccc12
COCCCN1CCC(O)(CC1)c1nnc(o1)-c1nn(C(C)C)c2ccccc12
OC(=O)C(O)=O.CC(C)n1nc(-c2nnc(CC3CCN(CC3)C3CC3)o2)c2ccccc12
OC(=O)C(O)=O.CC(C)n1nc(-c2nnc(CC3CCN(CC3)C3CCCC3)o2)c2ccccc12
OC(=O)C(O)=O.CC(C)N1CC2C(C1)C2c1nnc(o1)-c1nn(C(C)C)c2ccccc12
OC(=O)C(O)=O.CC(C)n1nc(-c2nnc(o2)C2C3CN(CC23)C2CCC2)c2ccccc12
OC(=O)C(O)=O.COCCCN1CC2C(C1)C2c1nnc(o1)-c1nn(C(C)C)c2ccccc12
OC(=O)C(O)=O.CC(C)n1nc(-c2nnc(o2)C2CC3CCC(C2)N3C)c2ccccc12
OC(=O)C(O)=O.COCCCN1C2CCC1CC(C2)c1nnc(o1)-c1nn(C(C)C)c2ccccc12
COCCCN1CCC(CC1)c1nc(no1)-c1nn(C(C)C)c2ccccc12
OC(C(O)C(O)=O)C(O)=O.CC(C)n1nc(-c2noc(n2)C2CCN(CC3CCOCC3)CC2)c2ccccc12
CC(C)N1CCC(CC1)c1nc(no1)-c1nn(C(C)C)c2ccccc12
COCCCN1CCC(CC1)c1noc(n1)-c1nn(C(C)C)c2ccccc12
OC(=O)C(O)=O.CC(C)n1nc(-c2nc(no2)C2CCN(CC3CCOCC3)CC2)c2ccccc12
CC(C)N1CCC(CC1)c1noc(n1)-c1nn(C(C)C)c2ccccc12
OC(C(O)C(O)=O)C(O)=O.CC(C)n1nc(C(=O)NC2CC3CCC(C2)N3CC(C)(C)F)c2ccccc12
FC(F)(F)c1cccc(c1)\N=C1\C(=O)N(c2ccccc12)c1ccccc1
COC(=O)C1(CC1CN1CCC(O)(CC1)c1ccccc1)c1ccc(C)cc1
Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
NC(N)=NCCC[C@@H]1NC(=O)C(NC1=O)=Cc1c[nH]c2cc(Br)ccc12 |r,w:15.16,wU:7.6,(9.1,2.09,;7.77,2.87,;7.78,4.41,;6.44,2.1,;5.11,2.88,;3.77,2.11,;2.44,2.89,;1.1,2.13,;-.23,2.9,;-1.57,2.14,;-2.91,2.91,;-1.56,.6,;-.24,-.18,;1.09,.59,;2.42,-.19,;-2.89,-.17,;-2.9,-1.71,;-1.65,-2.61,;-2.13,-4.08,;-3.67,-4.08,;-4.71,-5.23,;-6.22,-4.9,;-7.26,-6.03,;-6.68,-3.42,;-5.65,-2.29,;-4.14,-2.61,)|
CCCCCNC(N)=NN=Cc1c[nH]c2ccc(OC)cc12 |w:8.8,10.10|
NC(N)=NCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3cc(Br)ccc23)NC1=O |r,wU:7.6,11.11,(32.28,3.26,;30.95,4.04,;30.96,5.58,;29.62,3.28,;28.29,4.05,;26.95,3.29,;25.62,4.07,;24.28,3.3,;22.95,4.08,;21.61,3.31,;20.27,4.08,;21.62,1.78,;20.28,1.01,;20.28,-.53,;21.53,-1.44,;21.05,-2.91,;19.51,-2.9,;18.47,-4.05,;16.96,-3.72,;15.92,-4.86,;16.5,-2.25,;17.53,-1.11,;19.03,-1.44,;22.94,1,;24.27,1.76,;25.6,.98,)|
CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1 |r|
COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1ccccc1 |TLB:12:13:21:16.17.18|
C(N1CCN(CC1)c1nc2ccsc2n2cccc12)c1ccccc1
C(CC1CCCCN1)Oc1nc2ccsc2n2cccc12
C(CN1CCCCC1)Oc1nc2ccsc2n2cccc12
C(COc1nc2ccsc2n2cccc12)CN1CCCC1
C(Oc1nc2ccsc2n2cccc12)C1CCN(Cc2ccccc2)CC1
CN1CCC(COc2nc3ccsc3n3cccc23)CC1
C(CCN1CCCCC1)COc1nc2ccsc2n2cccc12
C(COc1nc2ccsc2n2cccc12)CN1CCCCC1
CCCCCN1CCC(COc2nc3sccc3n3cccc23)CC1
CN1CCC(COc2nc3sccc3n3cccc23)CC1
C=CCCN1CCC(COc2nc3ccsc3n3cccc23)CC1
C=CCN1CCC(COc2nc3sccc3n3cccc23)CC1
CCCCCN1CCC(COc2nc3ccsc3n3cccc23)CC1
CCCCN1CCC(COc2nc3ccsc3n3cccc23)CC1
CCCCN1CCC(COc2nc3sccc3n3cccc23)CC1
CCN1CCC(COc2nc3ccsc3n3cccc23)CC1
CC(C)N1CCC(COc2nc3ccsc3n3cccc23)CC1
CCN(CC)CCCCOc1nc2ccsc2n2cccc12
CCCN1CCC(COc2nc3ccsc3n3cccc23)CC1
Cc1csc2nc(OCCCN3CCCCC3)c3cccn3c12
CCCN1CCC(COc2nc3sccc3n3cccc23)CC1
Cc1csc2nc(OCC3CCN(CCC=C)CC3)c3cccn3c12
CCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1
C=CCN1CCC(COc2nc3ccsc3n3cccc23)CC1
Cc1csc2nc(OCC3CCN(CC=C)CC3)c3cccn3c12
CC(C)N1CCC(COc2nc3scc(C)c3n3cccc23)CC1
CCCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1
CCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1
ONC(=N)CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12
N[C@@H](CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12)C(O)=O |r|
N[C@H](CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12)C(O)=O |r|
OC(=O)CN1CCN(CC1)c1ccc2ccccc2n1
C1CN(CCN1)c1ccc2ccccc2n1
CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12
CCN1CCCC(C1)OC(=O)c1cc(Cl)c(N)cc1OC
COc1cc(N)c(Cl)cc1C(=O)OC1CCN(C)CC1
COc1cc(N)c(Cl)cc1C(=O)O[C@H]1CN2CCC1CC2 |wD:13.13,(5.68,-9.92,;5.68,-8.38,;4.35,-7.61,;3.01,-8.38,;1.68,-7.61,;.33,-8.38,;1.68,-6.07,;.35,-5.3,;3.01,-5.3,;4.35,-6.07,;5.68,-5.3,;5.67,-3.76,;7.01,-6.04,;8.34,-5.28,;9.67,-6.04,;11,-5.28,;11,-3.74,;9.67,-2.97,;8.33,-3.74,;9.08,-5.07,;10.18,-3.97,)|
COc1cc(N)c(Cl)cc1C(=O)O[C@@H]1CN2CCC1CC2 |wU:13.13,(5.68,-9.92,;5.68,-8.38,;4.35,-7.61,;3.01,-8.38,;1.68,-7.61,;.33,-8.38,;1.68,-6.07,;.35,-5.3,;3.01,-5.3,;4.35,-6.07,;5.68,-5.3,;5.67,-3.76,;7.01,-6.04,;8.34,-5.28,;9.67,-6.04,;11,-5.28,;11,-3.74,;9.67,-2.97,;8.33,-3.74,;9.08,-5.07,;10.18,-3.97,)|
COc1cc(N)c(Cl)cc1C(=O)OC1CC2CCC(C1)N2C |TLB:12:13:20:16.17|
CCN1CCC(CC1)OC(=O)c1cc(Cl)c(N)cc1OC
NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3cccc4ccccc34)cc12
Cc1ccccc1N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CC1CN3C2 |TLB:17:18:21:16.15,17:16:21:18.13.19,THB:12:13:21:16.15,(6.26,-9.89,;6.26,-8.35,;4.93,-7.59,;3.61,-8.36,;2.28,-7.59,;.94,-8.36,;2.28,-6.05,;.95,-5.29,;3.61,-5.28,;4.93,-6.05,;6.26,-5.27,;6.24,-3.73,;7.59,-6.03,;8.92,-5.27,;10.22,-4.01,;11.76,-4.8,;13.17,-4.51,;12.11,-5.76,;10.74,-5.14,;10.78,-3.56,;11.87,-2.36,;10.46,-2.68,)|
COc1cc(N)c(Cl)cc1C(=O)NCC1C2CC3CC1CN3C2 |TLB:18:19:22:17.16,THB:13:14:22:17.16,18:17:19.14.20:22,(9.31,-20.17,;9.31,-18.63,;7.98,-17.87,;6.65,-18.64,;5.32,-17.87,;3.97,-18.64,;5.32,-16.33,;3.97,-15.56,;6.65,-15.55,;7.98,-16.32,;9.31,-15.55,;9.29,-14.01,;10.65,-16.32,;11.98,-15.55,;13.31,-16.32,;14.61,-15.05,;16.15,-15.85,;17.58,-15.55,;16.52,-16.8,;15.13,-16.18,;15.17,-14.59,;16.26,-13.4,;14.85,-13.7,)|
COc1cc(N)c(Cl)cc1C(=O)NCC12CC3CN(CC3C1)C2 |TLB:17:18:21:16.15,THB:17:16:21:18.19.22,(-.07,-20.11,;-.07,-18.57,;-1.4,-17.81,;-2.73,-18.58,;-4.06,-17.81,;-5.41,-18.58,;-4.06,-16.26,;-5.39,-15.5,;-2.73,-15.49,;-1.4,-16.26,;-.07,-15.48,;-.09,-13.94,;1.27,-16.25,;2.6,-15.48,;3.93,-16.25,;5.18,-17.23,;5.49,-18.81,;6.09,-17.5,;5.41,-16.32,;3.59,-17.27,;2.99,-18.58,;2.62,-16.99,;4.91,-14.71,)|
COc1cc(NC(C)=O)c(Cl)cc1C(=O)NCC1C2CC3CC1CN3C2 |TLB:21:22:25:20.19,THB:21:20:22.17.23:25,16:17:25:20.19,(2.38,-9.5,;2.38,-7.96,;1.05,-7.19,;-.28,-7.96,;-1.61,-7.19,;-2.94,-7.96,;-4.27,-7.19,;-5.62,-7.96,;-4.27,-5.65,;-1.61,-5.65,;-2.94,-4.88,;-.28,-4.88,;1.05,-5.65,;2.38,-4.88,;2.38,-3.34,;3.72,-5.65,;5.05,-4.88,;6.39,-5.65,;7.68,-4.37,;9.24,-5.19,;10.65,-4.88,;9.59,-6.12,;8.21,-5.51,;8.24,-3.93,;9.33,-2.74,;7.93,-3.04,)|
COc1cc(NC(C)=O)c(Cl)cc1C(=O)NC1C2CC3CC1CN3C2 |TLB:18:17:22:19.20,18:19:17.16.24:22,THB:15:16:22:19.20,(22.01,-9.95,;22.01,-8.41,;20.68,-7.64,;19.35,-8.41,;18.02,-7.64,;16.69,-8.41,;15.36,-7.64,;14.02,-8.41,;15.36,-6.1,;18.02,-6.1,;16.69,-5.33,;19.35,-5.33,;20.68,-6.1,;22.01,-5.32,;22.01,-3.78,;23.36,-6.09,;24.69,-5.32,;26.51,-5.19,;27.89,-5.79,;28.94,-4.56,;27.53,-4.85,;25.99,-4.04,;26.23,-2.71,;27.63,-2.4,;26.55,-3.6,)|
COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(CC13)C2 |THB:17:16:13:18.19.21,15:16:19:13.14.21|
COc1cc(N)c(Cl)cc1C(=O)NCCC12CC3CN(CC3C1)C2 |THB:14:15:18:21.20,22:15:18:21.20,22:21:18:15.16.23,(-.07,-20.15,;-.07,-18.61,;-1.4,-17.85,;-2.74,-18.62,;-4.07,-17.85,;-5.42,-18.62,;-4.07,-16.3,;-5.4,-15.53,;-2.74,-15.53,;-1.4,-16.3,;-.07,-15.51,;-.09,-13.97,;1.27,-16.28,;2.6,-15.51,;3.94,-16.28,;5.27,-15.51,;6.77,-15,;8.29,-15.58,;7.49,-14.38,;6.01,-14.32,;5.95,-16.37,;6.73,-17.58,;5.19,-17.03,;4.5,-13.85,)|
O=C1CN(CN2CCN(CC2)c2cccc3ccccc23)C(=O)[C@@H]2CCCN12
Fc1ccc(cc1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1
CCCCN1CCC(COC(=O)c2cc(I)c(NC)c3OCCOc23)CC1
CCCCN1CCC(COC(=O)c2ccc(NC)c3OCCOc23)CC1
CCCCN1CCC(COC(=O)c2cc(Br)c(NC)c3OCCOc23)CC1
CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
CCCCN1CCC(COC(=O)c2ccc(N)cc2OC)CC1
CCCCN1CCC(COC(=O)c2cc(C#N)c(NC)c3OCCOc23)CC1
CCCCN1CCC(COC(=O)c2cc(C#N)c(N)c3OCCOc23)CC1
CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
CCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
CCCCN1CCC(COC(=O)c2ccc(N)c(OCF)c2)CC1
CCCCN1CCC(COC(=O)c2ccc(N)c(OCCF)c2)CC1
CCCCN1CCC(COC(=O)c2ccc(N)c3OCCOc23)CC1
CCCCN1CCC(COC(=O)c2cc(C)c(N)c3OCCOc23)CC1
CCCCN1CCC(CNC(=O)c2ccc(N)c(OC)c2)CC1
CCCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
CCCCN1CCC(COC(=O)c2cc(c(N)c3OCCOc23)[N+]([O-])=O)CC1
CN(C)[C@@H]1CC[C@@H](C1)c1c[nH]c2ccc(cc12)C#N |r|
CN(C)[C@H]1CC[C@H](C1)c1c[nH]c2ccc(F)cc12 |r|
CN1CCN(Cc2ccc3n(cc(Cl)c3c2)S(=O)(=O)c2ccc(F)cc2)CC1
CCN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccccc2Br)CC1
Oc1csc(=O)n1CCCCCCCCNCC1CCc2ccccc2O1
Oc1csc(=O)n1CCCCCCNCC1CCc2ccccc2O1
Oc1csc(=O)n1CCCCCNCC1CCc2ccccc2O1
Oc1c2CCCn2c(=O)n1Cc1cccc(CNCC2CCc3ccccc3O2)c1
Oc1c2CCCn2c(=O)n1Cc1ccc(CNCC2CCc3ccccc3O2)cc1
Oc1c2CCCn2c(=O)n1C\C=C\CNCC1CCc2ccccc2O1
Oc1c2CCCn2c(=O)n1CCCCCNCC1CCc2ccccc2O1
Oc1c2CCCn2c(=O)n1CCCNCC1CCc2ccccc2O1
Oc1csc(=O)n1CCCCNCC1CCc2ccccc2O1
Oc1c2CSCn2c(=O)n1CCCCNCC1CCc2ccccc2O1
Oc1c2CCSn2c(=O)n1CCCCNCC1CCc2ccccc2O1
O=C1CN(CCCCNCC2CCc3ccccc3O2)C(=O)C2CCCCN12
O=C1CN(CCCCNCC2CCc3ccccc3O2)C(=O)C2CCCN12
Oc1c2CCCCn2c(=O)n1CCCCNCC1CCc2ccccc2O1
Oc1c2CCCn2c(=O)n1CCCCNC[C@@H]1CCc2ccccc2O1 |r|
Oc1c2CCCn2c(=O)n1CCCCNC[C@H]1CCc2ccccc2O1 |r|
Oc1c2CCCn2c(=O)n1CCCCNCc1ccc2ccccc2n1
Oc1c2CCCn2c(=O)n1CCCCNCCc1ccc2ccccc2c1
Oc1c2CCCn2c(=O)n1CCCCNCc1ccc2ccccc2c1
Oc1c2CCCn2c(=O)n1CCCCNCCc1cccc2ccccc12
Oc1c2CCCn2c(=O)n1CCCCCCNCC1CCc2ccccc2O1
COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CC1CN(C3)C2 |TLB:12:13:17:20.19.21,22:20:13.14.15:17,THB:21:20:13:16.15.17,21:16:13:20.19.22,22:14:17:20.19.21,(8.67,-11.69,;8.67,-10.15,;7.33,-9.38,;5.99,-10.15,;4.66,-9.38,;3.32,-10.15,;4.66,-7.83,;3.33,-7.06,;5.99,-7.05,;7.33,-7.82,;8.66,-7.05,;8.66,-5.5,;10.01,-7.81,;11.34,-7.04,;12.54,-5.76,;13.85,-6.25,;15.25,-5.9,;14.24,-7.18,;12.84,-6.62,;12.82,-5.01,;13.87,-3.79,;15.27,-4.37,;12.52,-4.26,)|
COc1cc(N)c(Cl)cc1C(=O)N[C@H]1C2CC3CN(CC13)C2 |r,TLB:12:13:16.15:18.19.21,15:14:19:16.17,THB:17:18:13:16.15,17:16:13:18.19.21,12:13:19:16.17,15:16:19:13.14.21|
COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C2CC3CN(CC13)C2 |r,TLB:12:13:16.15:18.19.21,15:14:19:16.17,THB:17:18:13:16.15,17:16:13:18.19.21,12:13:19:16.17,15:16:19:13.14.21|
COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCC1C2 |TLB:12:13:20:18.17|
COc1cc(N)c(Cl)cc1C(=O)NC1CC2CCC(C1)N2Cc1ccccc1 |TLB:12:13:20:16.17|
[H]C12CCC([H])(CC(C1)NC(=O)c1cc(Cl)c(N)cc1OC)N2C
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(C)CC1
Nc1cc2OCCOCCN3CCC(CC3)NC(=O)c2cc1Cl |(-1.23,-5.96,;.1,-5.19,;1.43,-5.96,;2.77,-5.19,;4.1,-5.96,;4.1,-7.49,;5.33,-8.36,;7.24,-7.78,;8.8,-8.71,;10.27,-7.82,;10.27,-5.68,;9.34,-4.92,;8.29,-2.86,;6.75,-2.86,;7.89,-3.75,;8.59,-5.56,;5.43,-3.63,;4.08,-2.87,;4.08,-1.33,;2.77,-3.64,;1.43,-2.87,;.1,-3.65,;-1.23,-2.88,)|
CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1|
CN1C2CCCC1CC(C2)NC(=O)c1cc(Cl)cc2nc[nH]c12 |THB:10:8:1:3.5.4|
Clc1cc(C(=O)OC2CN3CCC2CC3)c2nc[nH]c2c1 |THB:6:7:13.14:11.10,(5.6,-10.41,;6.94,-11.18,;8.27,-10.41,;9.61,-11.2,;10.95,-10.44,;10.95,-8.9,;12.28,-11.21,;13.61,-10.44,;14.66,-11.44,;14.12,-9.66,;15.36,-8.29,;14.4,-7.28,;13.19,-8.62,;12.12,-8.41,;12.77,-9.39,;9.6,-12.74,;10.74,-13.77,;10.11,-15.19,;8.57,-15.03,;8.27,-13.51,;6.94,-12.72,)|
CN1C2CCCC1CC(C2)OC(=O)c1cccc2nc[nH]c12 |THB:10:8:1:3.5.4|
Clc1cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc2c1 |THB:6:7:13.14:11.10,(-1.03,-3.27,;.07,-4.38,;1.41,-3.61,;2.74,-4.39,;4.08,-3.62,;4.09,-2.08,;5.41,-4.39,;6.75,-3.64,;7.8,-4.64,;7.25,-2.85,;8.5,-1.48,;7.53,-.47,;6.32,-1.82,;5.26,-1.62,;5.91,-2.57,;2.74,-5.93,;3.88,-6.97,;3.25,-8.38,;1.71,-8.22,;1.4,-6.7,;.07,-5.91,)|
CN1C2CCCC1CC(C2)OC(=O)c1cc(Cl)cc2[nH]cnc12 |THB:10:8:1:3.5.4|
CN1C2CCCC1CC(C2)NC(=O)c1cccc2nc[nH]c12 |THB:10:8:1:3.5.4|
O=C(OC1CN2CCC1CC2)c1cccc2nc[nH]c12 |THB:2:3:9.10:7.6,(10.95,-8.9,;10.95,-10.44,;12.28,-11.21,;13.61,-10.44,;14.66,-11.44,;14.13,-9.66,;15.36,-8.29,;14.41,-7.28,;13.19,-8.62,;12.12,-8.41,;12.77,-9.39,;9.61,-11.2,;8.27,-10.42,;6.94,-11.19,;6.94,-12.73,;8.27,-13.51,;8.57,-15.03,;10.11,-15.19,;10.74,-13.78,;9.6,-12.74,)|
O=C(NC1CN2CCC1CC2)c1cccc2nc[nH]c12 |THB:2:3:9.10:7.6,(4.09,-2.08,;4.08,-3.62,;5.41,-4.39,;6.75,-3.64,;7.8,-4.64,;7.25,-2.85,;8.5,-1.48,;7.53,-.47,;6.32,-1.82,;5.26,-1.62,;5.91,-2.57,;2.74,-4.39,;1.41,-3.61,;.07,-4.38,;.07,-5.91,;1.4,-6.7,;1.71,-8.22,;3.25,-8.38,;3.88,-6.97,;2.74,-5.93,)|
Clc1cc2CCOc2c(c1)C(=O)N[C@@H]1CN2CCC1CC2 |wU:13.14,(6.36,-10.16,;7.71,-9.4,;9.02,-10.2,;10.36,-9.5,;11.82,-10.04,;12.78,-8.83,;11.92,-7.54,;10.43,-7.96,;9.13,-7.14,;7.77,-7.85,;9.2,-5.61,;7.9,-4.79,;10.56,-4.88,;10.61,-3.34,;11.99,-2.64,;12.06,-1.08,;10.75,-.26,;9.38,-.98,;9.31,-2.54,;10.13,-1.35,;10.77,-1.99,)|
CCCC[N+]12CCC(CC1)[C@H](C2)NC(=O)c1cc(Cl)c(N)c2CCOc12 |wD:10.13,(15.06,.2,;13.73,.93,;12.42,.18,;11.12,.89,;9.81,.14,;8.52,.95,;7.13,.23,;7.06,-1.31,;7.89,-.15,;8.53,-.78,;8.38,-2.13,;9.74,-1.4,;8.32,-3.67,;6.96,-4.4,;5.64,-3.58,;6.9,-5.94,;5.53,-6.65,;5.46,-8.21,;4.13,-8.96,;6.76,-9.01,;6.72,-10.57,;8.13,-8.3,;9.58,-8.84,;10.54,-7.63,;9.67,-6.34,;8.18,-6.76,)|
CCCCN1CCC(CNC(=O)c2cc(Cl)c(N)c3CCOc23)CC1
Nc1ccc(C(=O)N[C@@H]2CN3CCC2CC3)c2OCCc12 |wU:8.7,(8.1,-10.51,;8.16,-8.97,;6.86,-8.17,;6.92,-6.62,;8.26,-5.93,;8.33,-4.39,;7.05,-3.56,;9.7,-3.66,;9.74,-2.13,;11.11,-1.42,;11.18,.11,;9.9,.95,;8.53,.22,;8.47,-1.32,;9.27,-.14,;9.9,-.78,;9.58,-6.73,;11.06,-6.32,;11.91,-7.6,;10.95,-8.81,;9.51,-8.28,)|
Clc1cc2CCOc2c(c1)C(=O)N[C@H]1CN2CCC1CC2 |wD:13.14,(6.37,-10.17,;7.7,-9.41,;9.02,-10.21,;10.37,-9.5,;11.82,-10.05,;12.78,-8.84,;11.91,-7.55,;10.43,-7.97,;9.14,-7.15,;7.77,-7.86,;9.21,-5.61,;7.89,-4.79,;10.56,-4.88,;10.62,-3.34,;12,-2.64,;12.07,-1.08,;10.76,-.26,;9.37,-.98,;9.31,-2.54,;10.14,-1.35,;10.78,-1.99,)|
Nc1ccc(C(=O)N[C@H]2CN3CCC2CC3)c2OCCc12 |wD:8.7,(8.09,-10.5,;8.15,-8.96,;6.84,-8.16,;6.91,-6.61,;8.27,-5.92,;8.33,-4.38,;7.04,-3.56,;9.69,-3.65,;9.75,-2.13,;11.12,-1.42,;11.18,.11,;9.88,.95,;8.5,.22,;8.43,-1.32,;9.25,-.14,;9.91,-.78,;9.56,-6.73,;11.03,-6.32,;11.9,-7.59,;10.94,-8.8,;9.5,-8.27,)|
Nc1c2CCOc2c(cc1Cl)C(=O)N[C@H]1CN2CCC1CC2 |wD:14.15,(8.91,-10.5,;8.98,-8.96,;10.32,-8.27,;11.76,-8.8,;12.71,-7.59,;11.85,-6.32,;10.38,-6.73,;9.09,-5.92,;7.73,-6.61,;7.66,-8.16,;6.34,-8.93,;9.16,-4.38,;7.86,-3.56,;10.51,-3.65,;10.57,-2.13,;11.94,-1.42,;12.01,.11,;10.73,-.78,;10.09,-.14,;9.27,-1.32,;9.32,.22,;10.7,.95,)|
Nc1c2CCOc2c(cc1Cl)C(=O)O[C@@H]1CN2CCC1CC2 |wU:14.15,(8.93,-10.5,;8.98,-8.96,;10.32,-8.27,;11.77,-8.8,;12.73,-7.59,;11.87,-6.32,;10.39,-6.73,;9.09,-5.92,;7.74,-6.61,;7.68,-8.16,;6.34,-8.93,;9.16,-4.38,;7.86,-3.56,;10.52,-3.65,;10.57,-2.13,;11.94,-1.42,;12.01,.11,;10.73,-.78,;10.09,-.14,;9.28,-1.32,;9.34,.22,;10.71,.95,)|
O=C(N[C@@H]1CN2CCC1CC2)c1cccc2CCOc12 |wU:3.2,(7,-4.89,;8.29,-5.71,;9.67,-4.99,;9.7,-3.44,;11.08,-2.74,;11.15,-1.2,;9.86,-.37,;8.49,-1.1,;8.42,-2.64,;9.22,-1.45,;9.86,-2.1,;8.23,-7.25,;6.86,-7.96,;6.82,-9.51,;8.12,-10.31,;9.47,-9.6,;10.91,-10.15,;11.87,-8.93,;11.02,-7.64,;9.54,-8.07,)|
Nc1c2CCOc2c(cc1Cl)C(=O)OCCCN1CCCCC1
Nc1c2CCOc2c(cc1Cl)C(=O)NCCCN1CCCCC1
O=C(N[C@H]1CN2CCC1CC2)c1cccc2CCOc12 |wD:3.2,(7.01,-4.9,;8.31,-5.72,;9.68,-5,;9.73,-3.44,;11.11,-2.75,;11.17,-1.2,;9.87,-.37,;8.49,-1.1,;8.43,-2.64,;9.25,-1.45,;9.89,-2.11,;8.25,-7.26,;6.89,-7.97,;6.82,-9.53,;8.13,-10.33,;9.48,-9.62,;10.92,-10.16,;11.9,-8.95,;11.03,-7.65,;9.55,-8.08,)|
Nc1c2CCOc2c(cc1Cl)C(=O)NCCN1CCCCC1
CCCC[N+]12CCC(CC1)[C@@H](C2)NC(=O)c1cc(Cl)c(N)c2CCOc12 |wU:10.13,(15.06,.2,;13.73,.93,;12.42,.18,;11.12,.89,;9.81,.14,;8.52,.95,;7.13,.23,;7.06,-1.31,;7.89,-.15,;8.53,-.78,;8.38,-2.13,;9.74,-1.4,;8.32,-3.67,;6.96,-4.4,;5.64,-3.58,;6.9,-5.94,;5.53,-6.65,;5.46,-8.21,;4.13,-8.96,;6.76,-9.01,;6.72,-10.57,;8.13,-8.3,;9.58,-8.84,;10.54,-7.63,;9.67,-6.34,;8.18,-6.76,)|
Nc1c2CCOc2c(cc1Cl)C(=O)O[C@H]1CN2CCC1CC2 |wD:14.15,(8.96,-10.53,;9.01,-8.99,;10.36,-8.28,;11.81,-8.8,;12.77,-7.61,;11.91,-6.31,;10.42,-6.74,;9.12,-5.92,;7.77,-6.61,;7.71,-8.19,;6.36,-8.93,;9.19,-4.37,;7.89,-3.56,;10.55,-3.66,;10.6,-2.11,;11.98,-1.42,;12.05,.13,;10.76,-.78,;10.12,-.14,;9.3,-1.31,;9.37,.24,;10.74,.95,)|
Nc1c2CCOc2c(cc1Cl)C(=O)N[C@@H]1CN2CCC1CC2 |wU:14.15,(8.93,-10.5,;8.98,-8.96,;10.32,-8.27,;11.77,-8.8,;12.73,-7.59,;11.87,-6.32,;10.39,-6.73,;9.09,-5.92,;7.74,-6.61,;7.68,-8.16,;6.34,-8.93,;9.16,-4.38,;7.86,-3.56,;10.52,-3.65,;10.57,-2.13,;11.94,-1.42,;12.01,.11,;10.73,-.78,;10.09,-.14,;9.28,-1.32,;9.34,.22,;10.71,.95,)|
Nc1c2CCOc2c(cc1Cl)C(=O)OCCN1CCCCC1
CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3CCOc23)CC1
COc1cc(N)c(Cl)cc1C(=O)OC1CC2CCC1N(C)C2 |TLB:20:19:13.14:17.16,THB:12:13:19.21:17.16|
COc1cc(N)c(Cl)cc1C(=O)NC1CC2CCC1CN2C |TLB:12:13:20.19:17.16,21:20:13.14:17.16|
CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12 |THB:10:8:1:3.5.4|
COc1cc(N)c(Cl)cc1C(=O)NC1CC2CCC1N(C)C2 |TLB:20:19:13.14:17.16,THB:12:13:19.21:17.16|
COc1cc(N)c(Cl)cc1C(=O)OC1CC2CCC1CN2C |TLB:21:20:13.14:17.16,12:13:20.19:17.16|
CN1CCN(CC1)c1nc2ccccc2c2c3ccccc3oc12
CN1CCN(CC1)c1nc2ccccc2c-2c1CCc1ccccc-21
CN1CCN(CC1)c1nc2ccccc2n2cccc12
Fc1cccc2nc(N3CCNCC3)c3cccn3c12
Fc1ccc2c(c1)nc(N1CCNCC1)c1cccn21
COc1cc(N)c(Cl)cc1C(=O)OCCN1CC(C)OC(C)C1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)c1ccccc1
COc1cc(N)c(Cl)cc1C(=O)N(C)CCN1CCCCC1
COc1cc(N)c(Cl)cc1C(=O)OCCN(C)C
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCC(C)C1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCC(C)(C)C1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCOCC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC=CC1 |c:19|
COc1cc(N)c(Cl)cc1C(=O)OCCN1CC(C)CC(C)C1
COc1cc(N)c(Cl)cc1C(=O)NCCN1CCCCC1
COc1cc(N)c(Cl)cc1C(=O)OCC[n+]1ccccc1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCCC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCC(O)C1
COc1cc(N)c(Cl)cc1C(=O)OCCN1C2CCC1CCC2 |THB:14:15:17.18:21.22.20|
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(N)=O
COc1cc(N)c(Cl)cc1C(=O)OCCN1CC2CCC(CC2)C1 |TLB:14:15:21.22:18.19,(7.65,-14.52,;7.65,-12.98,;6.3,-12.21,;4.96,-12.98,;3.63,-12.21,;2.29,-12.98,;3.63,-10.66,;2.3,-9.89,;4.96,-9.87,;6.3,-10.65,;7.63,-9.87,;7.63,-8.33,;8.98,-10.64,;10.31,-9.87,;11.65,-10.62,;12.98,-9.85,;15.15,-9.38,;15.16,-10.46,;13.44,-11.25,;12.67,-12.46,;14.32,-11.58,;15.91,-12.53,;16.7,-11.39,;14.32,-10.2,)|
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(C)=O
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(O)CC1
COc1cc(N)c(Cl)cc1C(=O)OCC[N+]12CCC(CC1)CC2
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1C
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(C)CC1
COc1cc(N)c(Cl)cc1C(=O)NCCN(C)C
COc1cc(N)c(Cl)cc1C(=O)NCCN1CC(C)CC(C)C1
COc1cc(N)c(Cl)cc1C(=O)OCCN1C(C)CCCC1C
CN1CCN(CCNC(=O)n2c3ccccc3n(CC=C)c2=O)CC1
CN1CCN(CCCNC(=O)n2c3ccccc3n(C3CC3)c2=O)CC1
CCn1c2ccccc2n(C(=O)NCCN2CCN(CC2)C(C)C)c1=O
CC(C)n1c2ccccc2n(C(=O)NCCN2CC[N+](C)(C)CC2)c1=O
CN1CCN(CCNC(=O)n2c3ccccc3n(C3CC3)c2=O)CC1
CC(C)n1c2ccccc2n(C(=O)NN2CCN(C)CC2)c1=O
CCCN1CCN(CCNC(=O)n2c3ccccc3n(CC)c2=O)CC1
CCCCn1c2ccccc2n(C(=O)NCCN2CCN(C)CC2)c1=O
CC(C)N1CCN(CCNC(=O)n2c3ccccc3n(C3CC3)c2=O)CC1
CN1CCN(CCNC(=O)n2c3ccccc3[nH]c2=O)CC1
CC(C)n1c2ccccc2n(C(=O)NCN2CCN(C)CC2)c1=O
CC(C)n1c2ccccc2n(C(=O)NCCN2CCN(CCCOc3ccc(F)cc3)CC2)c1=O
CCN1CCN(CCNC(=O)n2c3ccccc3n(C(C)C)c2=O)CC1
CCCN1CCN(CCNC(=O)n2c3ccccc3n(C3CC3)c2=O)CC1
CC(C)n1c2ccccc2n(C(=O)NCCCN2CCN(C)CC2)c1=O
CCCN1CCN(CCNC(=O)n2c3ccccc3n(C(C)C)c2=O)CC1
CN1CCN(CCNC(=O)n2c3ccccc3n(CCc3ccccc3)c2=O)CC1
CC(C)n1c2ccccc2n(C(=O)NCCN2CCN(Cc3ccc(F)cc3)CC2)c1=O
CC(C)N1CCN(CCNC(=O)n2c3ccccc3n(C(C)C)c2=O)CC1
CC(C)n1c2ccccc2n(C(=O)NCCN2CCN(Cc3ccc4OCOc4c3)CC2)c1=O
CC(C)n1c2ccc(Cl)cc2n(C(=O)NCCN2CCN(C)CC2)c1=O
CCCCN1CCN(CCNC(=O)n2c3ccccc3n(CC)c2=O)CC1
CCCn1c2ccccc2n(C(=O)NCCN2CCN(C)CC2)c1=O
CC(C)n1c2ccccc2n(C(=O)NCCN2CCN(C)CC2)c1=O
CN1CCN(CNC(=O)n2c3ccccc3n(C3CC3)c2=O)CC1
CC(C)n1c2ccc(F)cc2n(C(=O)NCCN2CCN(C)CC2)c1=O
CCCCN1CCN(CCNC(=O)n2c3ccccc3n(C(C)C)c2=O)CC1
CC(C)n1c2cc(c(F)cc2n(C(=O)NCCN2CCN(C)CC2)c1=O)[N+]([O-])=O
COc1ccc2n(C(C)C)c(=O)n(C(=O)NCCN3CCN(C)CC3)c2c1
CN1CCN(CCNC(=O)n2c3ccccc3n(C)c2=O)CC1
CCn1c2ccccc2n(C(=O)NCCN2CCN(C)CC2)c1=O
CC(C)n1c2cc(N)c(F)cc2n(C(=O)NCCN2CCN(C)CC2)c1=O
CCCC[N+]1(C)CCN(CCNC(=O)n2c3ccccc3n(C(C)C)c2=O)CC1
CC(C)n1c2c(C)cccc2n(C(=O)NCCN2CCN(C)CC2)c1=O
CC(C)n1c2ccccc2n(C(=O)NCCN2CC[N+](C)(CC=C)CC2)c1=O
CN1CCN(CCNC(=O)n2c3ccccc3n(Cc3ccccc3)c2=O)CC1
CCCCN1CCN(CCNC(=O)n2c3ccccc3n(C3CC3)c2=O)CC1
CCN1CCN(CCNC(=O)n2c3ccccc3n(CC)c2=O)CC1
Brc1cc(C(=O)N[C@@H]2CN3CCC2CC3)c2[nH]cnc2c1 |wU:7.6,(6.11,-5.96,;7.44,-6.74,;8.76,-5.98,;10.11,-6.74,;11.43,-5.96,;11.43,-4.42,;12.77,-6.72,;14.09,-5.94,;14.07,-7.48,;15.41,-6.7,;14.23,-5.26,;14.29,-4.17,;15.57,-5.54,;17.05,-5.93,;16.89,-7.1,;10.11,-8.29,;11.26,-9.31,;10.63,-10.72,;9.09,-10.59,;8.76,-9.08,;7.44,-8.29,)|
Brc1cc(C(=O)N[C@H]2CN3CCC2CC3)c2[nH]cnc2c1 |wD:7.6,(6.11,-5.96,;7.44,-6.74,;8.76,-5.98,;10.11,-6.74,;11.43,-5.96,;11.43,-4.42,;12.77,-6.72,;14.09,-5.94,;14.07,-7.48,;15.41,-6.7,;14.23,-5.26,;14.29,-4.17,;15.57,-5.54,;17.05,-5.93,;16.89,-7.1,;10.11,-8.29,;11.26,-9.31,;10.63,-10.72,;9.09,-10.59,;8.76,-9.08,;7.44,-8.29,)|
CN1C2CCC1CC(C2)OC(=O)c1cccc2nc[nH]c12 |THB:9:7:1:3.4|
[O-][N+](=O)c1c(Br)cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc12 |(5.24,-8.3,;6.54,-8.93,;6.56,-10.6,;7.9,-8.3,;7.9,-6.75,;6.57,-5.96,;9.23,-5.98,;10.57,-6.75,;11.9,-5.96,;11.88,-4.43,;13.24,-6.72,;14.56,-5.94,;14.54,-7.49,;15.89,-6.71,;14.7,-5.26,;14.77,-4.17,;16.05,-5.55,;17.53,-5.93,;17.37,-7.1,;10.57,-8.3,;11.71,-9.32,;11.11,-10.73,;9.57,-10.59,;9.26,-9.09,)|
Nc1c(Br)cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc12 |(6.56,-9.06,;7.9,-8.29,;7.9,-6.74,;6.56,-5.96,;9.23,-5.98,;10.56,-6.74,;11.89,-5.96,;11.87,-4.42,;13.23,-6.72,;14.55,-5.94,;14.51,-7.48,;15.87,-6.7,;14.67,-5.26,;14.74,-4.17,;16.01,-5.54,;17.5,-5.93,;17.33,-7.1,;10.56,-8.29,;11.7,-9.31,;11.08,-10.72,;9.54,-10.59,;9.23,-9.08,)|
Nc1ccc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc12 |(6.54,-9.03,;7.86,-8.27,;7.86,-6.72,;9.2,-5.96,;10.52,-6.72,;11.86,-5.94,;11.83,-4.41,;13.17,-6.7,;14.49,-5.92,;14.47,-7.46,;15.81,-6.68,;14.63,-5.24,;14.7,-4.16,;15.97,-5.53,;17.45,-5.91,;17.29,-7.08,;10.52,-8.27,;11.67,-9.29,;11.05,-10.69,;9.5,-10.56,;9.2,-9.05,)|
Clc1cc(C(=O)N[C@@H]2CN3CCC2CC3)c2[nH]cnc2c1 |wU:7.6,(6.26,-6.07,;7.6,-6.85,;8.93,-6.07,;10.26,-6.82,;11.6,-6.07,;11.57,-4.52,;12.93,-6.82,;14.25,-6.05,;14.25,-7.6,;15.57,-6.8,;14.39,-5.37,;14.46,-4.26,;15.75,-5.65,;17.23,-6.03,;17.07,-7.2,;10.26,-8.38,;11.41,-9.43,;10.8,-10.84,;9.27,-10.68,;8.94,-9.18,;7.6,-8.38,)|
Nc1c(Cl)cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc12 |(6.56,-9.05,;7.88,-8.3,;7.88,-6.75,;6.56,-5.96,;9.21,-5.98,;10.55,-6.75,;11.88,-5.96,;11.85,-4.43,;13.21,-6.72,;14.54,-5.94,;14.52,-7.49,;15.86,-6.71,;14.68,-5.26,;14.75,-4.17,;16.02,-5.55,;17.51,-5.93,;17.35,-7.1,;10.55,-8.3,;11.71,-9.32,;11.09,-10.73,;9.55,-10.59,;9.23,-9.09,)|
Clc1cc(C(=O)N[C@H]2CN3CCC2CC3)c2[nH]cnc2c1 |wD:7.6,(6.26,-6.07,;7.6,-6.85,;8.93,-6.07,;10.26,-6.82,;11.6,-6.07,;11.57,-4.52,;12.93,-6.82,;14.25,-6.05,;14.25,-7.6,;15.57,-6.8,;14.39,-5.37,;14.46,-4.26,;15.75,-5.65,;17.23,-6.03,;17.07,-7.2,;10.26,-8.38,;11.41,-9.43,;10.8,-10.84,;9.27,-10.68,;8.94,-9.18,;7.6,-8.38,)|
[O-][N+](=O)c1c(Cl)cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc12 |(5.24,-8.26,;6.4,-9.09,;6.56,-10.59,;7.9,-8.3,;7.9,-6.75,;6.57,-5.96,;9.23,-5.98,;10.57,-6.75,;11.9,-5.96,;11.88,-4.43,;13.24,-6.72,;14.56,-5.94,;14.54,-7.49,;15.89,-6.71,;14.7,-5.26,;14.77,-4.17,;16.05,-5.55,;17.53,-5.93,;17.36,-7.1,;10.57,-8.3,;11.71,-9.32,;11.11,-10.73,;9.57,-10.59,;9.26,-9.09,)|
CCC1CCN(C)C[C@H]1NC(=O)c1cccc2nc[nH]c12
CCC1CCN(C)C[C@@H]1NC(=O)c1cccc2nc[nH]c12
CN1C2CCC1CC(C2)NC(=O)c1cc(Cl)cc2nc[nH]c12 |TLB:9:7:1:3.4|
CN1C2CCC1CC(C2)NC(=O)c1cccc2nc[nH]c12 |TLB:9:7:1:3.4|
[O-][N+](=O)c1c(Cl)cc(C(=O)N[C@@H]2CN3CCC2CC3)c2[nH]cnc12 |wU:11.10,(5.22,-8.23,;6.54,-9.02,;6.52,-10.56,;7.88,-8.27,;7.88,-6.72,;6.54,-5.94,;9.18,-5.96,;10.53,-6.72,;11.84,-5.94,;11.84,-4.41,;13.19,-6.7,;14.49,-5.92,;14.49,-7.46,;15.81,-6.68,;14.65,-5.24,;14.72,-4.16,;15.99,-5.53,;17.47,-5.91,;17.3,-7.08,;10.53,-8.27,;11.67,-9.29,;11.07,-10.7,;9.53,-10.56,;9.2,-9.06,)|
Brc1cc(C(=O)NC2CN3CCC2CC3)c2[nH]cnc2c1 |(6.12,-5.94,;7.44,-6.75,;8.76,-5.96,;10.11,-6.73,;11.43,-5.94,;11.43,-4.41,;12.77,-6.73,;14.09,-5.94,;14.07,-7.49,;15.41,-6.68,;14.23,-5.24,;14.29,-4.15,;15.57,-5.52,;17.05,-5.91,;16.89,-7.1,;10.11,-8.28,;11.27,-9.32,;10.63,-10.73,;9.09,-10.57,;8.76,-9.06,;7.44,-8.28,)|
CN1C2CCC1CC(C2)OC(=O)c1cc(Cl)cc2[nH]cnc12 |THB:9:7:1:3.4|
CCS(=O)(=O)Nc1cccc(c1)N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1
CN(C)CCc1c(C)[nH]c2cccc(NC(=O)c3ccc(F)cc3)c12
CC(N)Cc1c[nH]c2ccc3OCCCc3c12
C[C@H](N)Cc1c[nH]c2ccc3OCCCc3c12
CC(C)n1c2ccccc2n(C(=O)NC2CC3CCCC(C2)N3C)c1=O |TLB:13:14:22:17.19.18|
CCn1c2ccccc2n(C(=O)NC2CC3CCCC(C2)N3C)c1=O |TLB:12:13:21:16.18.17|
Nc1c2CCOc2c(cc1Cl)C(=O)NCCC12CCCN1CCC2
CCN1CCN(C)C[C@@H](C1)NC(=O)c1cc(Br)c(NC)nc1OC
CCN1CCN(C)C[C@H](C1)NC(=O)c1cc(Cl)c(NC)cc1OC
CCN1CCN(C)C[C@H](C1)NC(=O)c1cc(Br)c(NC)nc1OC
c1ccc2c(c1)NC(=O)N2CCCN3CCC(CC3)N4c5ccc(cc5NC4=O)Cl
COc1cc(N)c(Cl)cc1C(=O)NC1CN(C)CCN(Cc2ccccc2)C1
COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCN2CCCC1C2
COc1cc(N)c(Cl)cc1C(=O)NCCN(C)Cc1ccccc1
COc1cc(N)c(Cl)cc1C(=O)NCC1C2CC3CC1CN(C3)C2 |TLB:14:15:19.20.18:22,13:14:20:17.18.22,THB:16:15:20:17.18.22,16:17:15.14.23:20,14:19:15.23.16:22,(-1.58,-4.14,;-1.58,-2.61,;-2.91,-1.83,;-4.24,-2.61,;-5.57,-1.83,;-6.92,-2.61,;-5.57,-.29,;-6.9,.48,;-4.24,.48,;-2.91,-.29,;-1.58,.49,;-1.59,2.04,;-.25,-.26,;1.08,.49,;2.43,-.26,;4.02,.44,;5.42,-.05,;6.33,1.04,;4.81,.48,;3.32,1.02,;3.25,2.53,;4.8,3.07,;6.26,2.56,;4.01,1.86,)|
[H][C@]12CCCN(CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC)C2 |r,TLB:9:8:22:4.2.3|
CC(C)n1c2ccccc2n(C(=O)NC[C@@H]2CCN3CCC[C@@H]23)c1=O
COc1cc(N)c(Cl)cc1C(=O)OC[C@@H]1CCN2CCC[C@@H]12
CCOc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12
Clc1cc(C(=O)NC[C@@H]2CCN3CCC[C@@H]23)c2nccn2c1
COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CC[N@@+]2(C)CCC[C@@H]12
O=C(OC[C@@H]1CCN2CCC[C@@H]12)c1c[nH]c2ccccc12
COc1cc(N)c(Cl)cc1C(=O)NC[C@H]1CCN2CCC[C@H]12
Fc1ccc2[nH]cc(C(=O)OC[C@@H]3CCN4CCC[C@@H]34)c2c1
O=C(OC[C@@H]1CCN2CCC[C@@H]12)c1[nH]nc2ccccc12
Cn1nc(C(=O)OC[C@@H]2CCN3CCC[C@@H]23)c2ccccc12
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCN(CCCc1cccc(CCCN(CCCC(=O)NC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)C(=O)C(C)(C)C)c1)C(=O)C(C)(C)C
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCCN(CCCc2ccc(CCCN(CCCC(=O)NCC3CCN(CCOC(=O)c4cc(Cl)c(N)cc4OC)CC3)C(=O)C(C)(C)C)cc2)C(=O)C(C)(C)C)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCCCCCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
Fc1ccc2c(c1)nc(N1CCN(Cc3cnc[nH]3)CC1)c1cccn21
COC1CNCCC1NC(=O)c1cc(Cl)c(N)cc1OC
CO[C@@H]1CN(C[C@@H]2CCCC[C@@]2(O)c2cccc(O)c2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@H]1CN(C[C@@H]2CCCC[C@@]2(O)c2cccc(OC)c2)CC[C@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
COc1cc(N)c(Cl)cc1C(=O)NCCN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 |r|
COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)CCNC(=O)c1cc(Cl)c(N)cc1OC |r|
COc1cccc(c1)[C@]1(O)CCCC[C@H]1CN(C)CCNC(=O)c1cc(Cl)c(N)cc1OC |r|
COc1cc(N)c(Cl)cc1C(=O)NCCN(C)C[C@@H]1CCCC[C@@]1(O)c1cccc(O)c1 |r|
CO[C@H]1CN(C[C@H]2CCCC[C@]2(O)c2cccc(OC)c2)CC[C@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@H]1CN(C[C@H]2CCCC[C@]2(O)c2cccc(O)c2)CC[C@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@@H]1CN(C[C@H]2CCCC[C@]2(O)c2cccc(OC)c2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@@H]1CN(C[C@H]2CCCC[C@]2(O)c2cccc(O)c2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@@H]1CN(C[C@@H]2CCCC[C@@]2(O)c2cccc(OC)c2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@H]1CN(C[C@@H]2CCCC[C@@]2(O)c2cccc(O)c2)CC[C@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
CO[C@@H]1CN(CCCOc2ccc(F)cc2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@@H](O)CN2CCN(CC2)S(C)(=O)=O)c1=O |r,THB:23:22:15.21.16:18.19|
[H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1nn(C(C)C)c3ccccc13)N2 |r|
CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCCN2CCCCC2)c2ccccc12 |r,THB:17:16:9.15.10:12.13|
CC(C)N(C)CC(O)CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1nn(C(C)C)c2ccccc12 |r,THB:8:9:15.14.16:11.12|
CC(C)N(C)CCCCCCN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1nn(C(C)C)c2ccccc12 |r,THB:10:11:17.16.18:13.14|
COC[C@@H]1CCCN1CCCCCCN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1nn(C(C)C)c2ccccc12 |r,THB:13:14:20.19.21:16.17|
CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CN2CCC(CNS(C)(=O)=O)CC2)c2ccccc12 |r,THB:17:16:9.15.10:12.13|
CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CN2CCN(CC2)S(C)(=O)=O)c2ccccc12 |r,THB:17:16:9.15.10:12.13|
CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCCN2CCN(CC2)S(C)(=O)=O)c2ccccc12 |r,THB:17:16:9.15.10:12.13|
CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@H](O)CN2CCN(CC2)S(C)(=O)=O)c2ccccc12 |r,THB:17:16:9.15.10:12.13|
CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@@H](O)CN2CCN(CC2)S(C)(=O)=O)c2ccccc12 |r,THB:17:16:9.15.10:12.13|
CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCN2CCN(CC2)C(C)=O)c2ccccc12 |r,THB:17:16:9.15.10:12.13|
COC[C@@H]1CCCN1CC(O)CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1nn(C(C)C)c2ccccc12 |r,THB:11:12:18.17.19:14.15|
CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CN2CCCCC2)c2ccccc12 |r,THB:17:16:9.15.10:12.13|
CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCCN2CCC(CNS(C)(=O)=O)CC2)c2ccccc12 |r,THB:17:16:9.15.10:12.13|
CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCN2CCN(CC2)S(C)(=O)=O)c2ccccc12 |r,THB:17:16:9.15.10:12.13|
CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CNC(=O)N(C)C)c1=O |r,THB:23:22:15.21.16:19.18|
CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CN(C)C(=O)N(C)C)c1=O |r,THB:23:22:15.21.16:19.18|
COC(=O)NCC(O)CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc2ccccc2n(C(C)C)c1=O |r,THB:8:9:15.14.16:12.11|
CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@H](O)CN(C)S(C)(=O)=O)c1=O |r,THB:23:22:15.21.16:19.18|
CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CN(C)C(C)=O)c1=O |r,THB:23:22:15.21.16:19.18|
CNC(=O)NCC(O)CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc2ccccc2n(C(C)C)c1=O |r,THB:8:9:15.14.16:12.11|
CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CNS(C)(=O)=O)c1=O |r,THB:23:22:15.21.16:19.18|
CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@@H](O)CN(C)S(C)(=O)=O)c1=O |r,THB:23:22:15.21.16:18.19|
CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CNC(C)=O)c1=O |r,THB:23:22:15.21.16:19.18|
CNC(=O)N(C)CC(O)CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc2ccccc2n(C(C)C)c1=O |r,THB:9:10:16.15.17:13.12|
CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CN(C)C(N)=O)c1=O |r,THB:23:22:15.21.16:19.18|
COC(=O)N(C)CC(O)CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc2ccccc2n(C(C)C)c1=O |r,THB:9:10:16.15.17:13.12|
CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CNC(N)=O)c1=O |r,THB:23:22:15.21.16:19.18|
CC(C)n1c2ccc(F)cc2n(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c1=O
CC1(C)C(=O)N(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c2cc(F)ccc12
OC1(CN2CCC(COc3noc4cccc(OC5CCOCC5)c34)CC2)CCOCC1
O[C@@H]1CC[C@H](C1)Oc1cccc2onc(OCC3CCN(CC4(O)CCOCC4)CC3)c12 |r|
CC(C)(O)COc1cccc2onc(OCC3CCN(CC4(O)CCOCC4)CC3)c12
CCCCN1CCC(COc2noc3cccc(OCC4CCC4)c23)CC1
CCCCN1CCC(COc2noc3cccc(OCC(C)C)c23)CC1
CCCCN1CCC(COc2noc3cccc(OCC(C)(C)C)c23)CC1
CC(C)COc1cccc2onc(OCC3CCN(CC4(O)CCOCC4)CC3)c12
CCCCN1CCC(COc2noc3cccc(OC4CCC4)c23)CC1
CCCCN1CCC(COc2noc3cccc(OC4CCCC4)c23)CC1
COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)cnc12
COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)ccc12
Cn1cc2c(OCC3CCN(CCc4ccc(cc4)C(O)=O)CC3)nc3ccccc3c2c1
CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(cc3)C(O)=O)CC2)c2ccccc12
CC(=O)Nc1ccc(CCN2CCC(COc3nc4ccccc4c4cn(C)cc34)CC2)cc1
COCc1ccc(CCN2CCC(COc3nc4ccccc4c4cn(C)cc34)CC2)cc1
Cn1cc2c(OCC3CCN(CCc4ccc(CO)cc4)CC3)nc3ccccc3c2c1
Cn1cc2c(OCC3CCN(CCc4ccccc4C(O)=O)CC3)nc3ccccc3c2c1
Cn1cc2c(OCC3CCN(CCc4ccc(N)cc4)CC3)nc3ccccc3c2c1
Cn1cc2c(OCC3CCN(CCN4CCOCC4)CC3)nc3ccccc3c2c1
CC(C)n1cc2c(OCC3CCN(CCc4ccccc4)CC3)nc3ccccc3c2c1
Cn1cc2c(OCC3CCN(CCc4ccccc4)CC3)nc3ccccc3c2c1
CCCCN1CCC(COc2nc3ccccc3c3cn(C)cc23)CC1
Cn1cc2c(OCC3CCNCC3)nc3ccccc3c2c1
CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(N)cc3)CC2)c2ccccc12
CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)c2ccccc12
CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc(O)cc3)CC2)c2ccccc12
CNC(=O)CCN1CCC(CNC(=O)c2nn(C(C)C)c3ccccc23)CC1
CC(C)n1nc(C(=O)NCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
CC(C)n1nc(C(=O)NCC2CCN(CCCN(C)C)CC2)c2ccccc12
CC(C)n1nc(C(=O)NCC2CCN(CCN3CCOCC3)CC2)c2ccccc12
CC(C)n1nc(C(=O)NCC2CCN(CCC3CCCCC3)CC2)c2ccccc12
CC(C)n1nc(C(=O)NCC2CC[N+](C)(CCc3ccccc3)CC2)c2ccccc12
CC(C)n1nc(C(=O)NCC2CCN(CCc3ccccn3)CC2)c2ccccc12
CC(C)n1nc(C(=O)NCC2CCN(Cc3ccccc3)CC2)c2ccccc12
CC(C)n1nc(C(=O)NCC2CCN(CCc3ccccc3)CC2)c2ccccc12
CCCN1CCC(COc2nc3c(F)cccc3c3ncccc23)CC1
CCCN1CCC(COc2nc3ccccc3c3ncccc23)CC1
CCCN1CCC(COc2nc3c(Cl)cccc3c3ccccc23)CC1
CCCN1CCC(COc2nc3ccccc3c3cnccc23)CC1
CCCN1CCC(COc2nc3cc(F)ccc3c3ccccc23)CC1
CCCN1CCC(COc2nc3c(F)cccc3c3ccccc23)CC1
CCCN1CCC(COc2nc3c(OC)cccc3c3ccccc23)CC1
CCCN1CCC(COc2nc3cc(OC)ccc3c3ccccc23)CC1
CCCN1CCC(COc2nc3cc(C)ccc3c3ccccc23)CC1
CCCN1CCC(COc2nc3ccc(C)cc3c3ccccc23)CC1
CCCN1CCC(COc2nc3ccc(OC)cc3c3ccccc23)CC1
CCCN1CCC(COc2nc3ccccc3c3cc(F)ccc23)CC1
CCCN1CCC(COc2nc3ccccc3c3ccc(F)cc23)CC1
Ic1ccc(CCCN2CCC(COc3nc4ccccc4c4ccccc34)CC2)cc1
CCCN1CCC(COc2nc3c(C)cccc3c3ccccc23)CC1
CCCN1CCC(COc2nc3ccccc3c3ccccc23)CC1
CCCN1CCC(COc2nc3ccccc3c3cccc(F)c23)CC1
CCCN1CCC(COc2nc3c(I)cccc3c3ccccc23)CC1
CCCN1CCC(COc2nc3c(I)cccc3c3ncccc23)CC1
Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc21
c1cc2c(cc1O)c(c[nH]2)C[C@@H](C(=O)O)N
CCCC[N+]12CCCC(C1)C(CC2)NC(=O)c1cc(Cl)c(N)cc1OC
COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)cc(F)c1Br
COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12
COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)ccc1Br
COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1Cl
CN(C)CCO\N=C1\c2cccn2-c2c(C)csc12
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCS4(=O)=O)CC3)cccc2n1
Cc1ccc2c(OCCN3CCC(Cc4cccc(NS(C)(=O)=O)c4)CC3)cccc2n1
COc1ccc2[nH]cc(CNN3CCOCC3)c2c1
CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@H](O)CN2CCN(CC2)S(C)(=O)=O)c1=O |r,THB:23:22:15.21.16:18.19|
[H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc(Cl)c(N)cc1OC)N2 |r|
COc1cc(N)c(Cl)cc1C(=O)NCC1CCNCC1
COc1cc(N)c(Cl)cc1C(=O)NC1CCNCC1
COc1cc(N)c(Cl)cc1C(=O)NCCN1CCNCC1
[H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2 |r|
CC(C)n1c2ccccc2cc(C(=O)NCC2CCNCC2)c1=O
CC(C)n1c2ccccc2cc(C(=O)NC2CCNCC2)c1=O
CC(C)n1nc(C(=O)NCC2CCNCC2)c2ccccc12
CC(C)n1nc(C(=O)NC2CCNCC2)c2ccccc12
[H][C@@]12CC[C@]([H])(CC(C1)NC(=O)n1c3ccccc3n(C(C)C)c1=O)N2 |r|
CC(C)n1c2ccccc2n(C(=O)NCC2CCNCC2)c1=O
CC(C)n1c2ccccc2n(C(=O)NC2CCNCC2)c1=O
CC(C)n1c2ccccc2n(C(=O)NCCN2CCNCC2)c1=O
[H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1c[nH]c3ccc(OC)cc13)N2 |r|
COc1ccc2[nH]cc(C(=O)NCC3CCNCC3)c2c1
COc1ccc2[nH]cc(C(=O)NC3CCNCC3)c2c1
COc1ccc2[nH]cc(C(=O)NCCN3CCNCC3)c2c1
CCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)cc1OC
CCCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)cc1OC
CCCCCCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)cc1OC
[H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CC |r|
[H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCC |r|
[H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCC |r|
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCO)CC1
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCO)CC1
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCCCCO)CC1
[H][C@]12CC[C@]([H])(C[C@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCO |r|
[H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCO |r|
[H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCCO |r|
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCN2C(=O)c3ccccc3C2=O)CC1
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCCCCN2C(=O)c3ccccc3C2=O)CC1
[H][C@]12CC[C@]([H])(C[C@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCN1C(=O)c2ccccc2C1=O |r|
[H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCN1C(=O)c2ccccc2C1=O |r|
[H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCCN1C(=O)c2ccccc2C1=O |r|
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCS(O)(=O)=O)CC1
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCS(O)(=O)=O)CC1
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCCCCS(O)(=O)=O)CC1
[H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCS(O)(=O)=O |r|
[H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCS(O)(=O)=O |r|
[H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCCS(O)(=O)=O |r|
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCN2CCCCC2)CC1
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCN2CCCCC2)CC1
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCCCCN2CCCCC2)CC1
[H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCN1CCCCC1 |r|
[H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCN1CCCCC1 |r|
[H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCCN1CCCCC1 |r|
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCN2CCN(CC2)S(C)(=O)=O)CC1
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCN2CCN(CC2)S(C)(=O)=O)CC1
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCCCCN2CCN(CC2)S(C)(=O)=O)CC1
[H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCN1CCN(CC1)S(C)(=O)=O |r|
[H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCN1CCN(CC1)S(C)(=O)=O |r|
[H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCCN1CCN(CC1)S(C)(=O)=O |r|
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCN(C)CCc2c[nH]c3ccccc23)CC1
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCN(C)CCc2c[nH]c3ccccc23)CC1
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCCCCN(C)CCc2c[nH]c3ccccc23)CC1
[H][C@]12CC[C@@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCN(C)CCc1c[nH]c2ccccc12 |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCN(C)CCc1c[nH]c2ccccc12 |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCCN(C)CCc1c[nH]c2ccccc12 |r|
[H][C@]12CC[C@@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCN1CCC[C@H]1C(N)=O |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCN1CCC[C@H]1C(N)=O |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCN1CCN(CC1)C(=O)OCC |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCN1CCN(CC1)C(=O)OCC |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCN1CCN(CC1)S(C)(=O)=O |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCN1CCN(CC1)S(C)(=O)=O |r|
[H][C@]12CC[C@]([H])(C[C@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCN1CCOCC1 |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCN1CCOCC1 |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCN(C)CCCN(C)S(C)(=O)=O |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCN(C)CCCN(C)S(C)(=O)=O |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCN1CCN(CC1)c1ccccc1 |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCN1CCN(CC1)c1ccccc1 |r|
[H][C@]12CC[C@]([H])(C[C@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCN1CCCCC1 |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCN1CCCCC1 |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCN1CCC(CNS(C)(=O)=O)CC1 |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCN1CCC(CNS(C)(=O)=O)CC1 |r|
Cc1csc2nc(OCC3CCN(CC#C)CC3)c3cccn3c12
Cc1csc2nc(OCC3CCN(C\C=C\I)CC3)c3cccn3c12
CCCCN1CCC(COC(=O)c2c3OCCCn3c3ccccc23)CC1
CCCCN1CCC(COC(=O)c2c3OCCCCn3c3ccccc23)CC1
CCCCN1CCC(COC(=O)c2c3OCCn3c3ccccc23)CC1
CCCCN1CCC(COC(=O)c2c[nH]c3ccccc23)CC1
CCCCN1CCC(CNC(=O)c2cc(Cl)c(N)cc2OC)CC1
CCCCN1CCC(COC(=O)c2cccc3OCCCOc23)CC1
CCCCN1CCC(COC(=O)c2cc(Cl)c(N)cc2OC)CC1
CCCCN1CCC(COC(=O)c2cccc3OCOc23)CC1
CCCCN1CCC(COC(=O)c2cccc3OCCOc23)CC1
CCCCN1CCC(CNC(=O)c2c3OCCn3c3ccccc23)CC1
CCCCN1CCC(CNC(=O)c2c[nH]c3ccccc23)CC1
CCCCN1CCC(COC(=O)c2c(OC)[nH]c3ccccc23)CC1
CCCCN1CCC(CNC(=O)c2c3OCCCCn3c3ccccc23)CC1
CCCCN1CCC(CNC(=O)c2c(OC)[nH]c3ccccc23)CC1
Cc1[nH]c2ccccc2c1C1=CCNCC1 |t:12|
CC(O)CCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
O=C(NCC1CCNCC1)c1c2OCCCn2c2ccccc12
CCCCN1CCC(CNC(=O)c2c3OCCCn3c3cc(O)ccc23)CC1
Fc1cccc2c1nc(OCC1CCN(CCCC(F)(F)F)CC1)c1cccnc21
Fc1cccc2c1nc(OCC1CCN(CCC(F)(F)F)CC1)c1cccnc21
FC(F)CN1CCC(COc2nc3c(F)cccc3c3ncccc23)CC1
Fc1cccc2c1nc(OCC1CCN(CCCC(F)(F)F)CC1)c1ccccc21
Fc1cccc2c1nc(OCC1CCN(CCC(F)(F)F)CC1)c1ccccc21
COc1cc(C(=O)OCCCN2CCCCC2)c2ccccc2n1
COc1cc(C(=O)NCCCN2CCCCC2)c2ccccc2n1
COc1cc2C(=O)N(CCCN3CCCCC3)Cc3cccc(n1)c23
COc1cc2C(=O)N(CCCN3CCCCC3)C(=O)c3cccc(n1)c23
Clc1cc2C(=O)N(CCCN3CCCCC3)Cc3cccc(n1)c23
Clc1cc2C(=O)N(CCCN3CCCCC3)C(=O)c3cccc(n1)c23
O=C1N(CCCN2CCCCC2)Cc2cccc3nc(cc1c23)N1CCCC1
O=C1N(CCCN2CCCCC2)C(=O)c2cc(nc3cccc1c23)N1CCCC1
O=C1N(CCCN2CCCCC2)C(=O)c2cc(nc3cccc1c23)N1CCCCC1
CC(C)n1c2sccc2c([O-])c(C(=O)NCCCN2CCCCC2)c1=O
OCC(O)CN1CCC(COC(=O)c2c3OCCCn3c3ccccc23)CC1
CC(C(O)=O)c1ccc(CN2CCC(COC(=O)c3c4OCCCn4c4ccccc34)CC2)cc1
OC(=O)C1CCCC(CN2CCC(COC(=O)c3c4OCCCn4c4ccccc34)CC2)C1
OC(=O)C1CCC(CN2CCC(COC(=O)c3c4OCCCn4c4ccccc34)CC2)C1
OC(=O)C1C2C3CC1C(CN1CCC(COC(=O)c4c5OCCCn5c5ccccc45)CC1)C23 |TLB:9:8:5.6:4.3,THB:1:3:8:5.6|
O=C(NCC1CCN(Cc2ccc(NS(=O)(=O)C3CCCCC3)cc2)CC1)c1cccc2OCCOc12
CC(C)CS(=O)(=O)Nc1ccc(CN2CCC(CNC(=O)c3cccc4OCCOc34)CC2)cc1
CCCCS(=O)(=O)Nc1ccc(CN2CCC(CNC(=O)c3cccc4OCCOc34)CC2)cc1
CS(=O)(=O)Nc1ccc(CN2CCC(CNC(=O)c3cccc4OCCOc34)CC2)cc1
O=C(NCC1CCN(Cc2ccc(NS(=O)(=O)C3CCCCC3)cc2)CC1)c1c2OCCCn2c2ccccc12
CC(C)CS(=O)(=O)Nc1ccc(CN2CCC(CNC(=O)c3c4OCCCn4c4ccccc34)CC2)cc1
CCCCS(=O)(=O)Nc1ccc(CN2CCC(CNC(=O)c3c4OCCCn4c4ccccc34)CC2)cc1
CS(=O)(=O)Nc1ccc(CN2CCC(CNC(=O)c3c4OCCCn4c4ccccc34)CC2)cc1
O=C(NCC1CCN(Cc2ccc(NS(=O)(=O)Cc3ccccc3)cc2)CC1)c1c[nH]c2ccccc12
O=C(NCC1CCN(Cc2ccc(NS(=O)(=O)C3CCCCC3)cc2)CC1)c1c[nH]c2ccccc12
Cl.COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCNCC2)CC1
COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2ccccc2)CC1
COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2cccnc2)CC1
COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2ccncc2)CC1
COc1cc(N)c(Cl)cc1\C(CCC1CCN(CC2CCCCC2)CC1)=N\O
CO\N=C(/CCC1CCN(CC2CCCCC2)CC1)c1cc(Cl)c(N)cc1OC
COc1cc(N)c(Cl)cc1C(O)CCC1CCN(CC2CCCCC2)CC1
COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CC2CCCCC2)CC1
CO[C@@H]1CN(CC2CCN(CC2)C(C)=O)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@@H]1CN(CC2CCN(CC2)C(=O)OC)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CCC(=O)N1CCC(CCN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1 |r|
CCC(=O)N1CCCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)C1 |r|
CCC(=O)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1 |r|
CO[C@@H]1CN(CCC(=O)N2CCOCC2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@@H]1CN(CCC(=O)N2CCC(Cc3ccccc3)CC2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@@H]1CN(CCC(=O)N2CCCCC2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@@H]1CN(CCC(=O)N2CCCC2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@@H]1CN(CCCn2ncnn2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@@H]1CN(CCCn2cncn2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@@H]1CN(CCCn2ccnc2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@@H]1CN(CCCn2cccc2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@@H]1CN(CCn2cccc2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CCCC(=O)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1 |r|
CO[C@@H]1CN(CC2CCN(CC2)C(=O)C(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@@H]1CN(CC2CCN(CC2)C(=O)C(C)(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@@H]1CN(CC2CCN(CC2)C(=O)CC(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CCOC(=O)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1 |r|
CCCOC(=O)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1 |r|
CCC(=S)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1 |r|
CO[C@@H]1CN(CC2CCN(CC2)C(=S)C(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@@H]1CN(CC2CCN(CC2)C(=O)N(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@@H]1CN(CC2CCN(CC2)C(=O)NC(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CO[C@H]1CN(CC2CCN(CC2)C(=O)C(C)C)CC[C@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r|
CC(=O)c1ccc(OCc2ccc(Oc3cc(ccn3)-c3nn[nH]n3)cc2)c(C)c1O
[H][C@]1(CN2CCC1CC2)N1C(=O)c2cccc3c(N)c(Cl)cc(C1=O)c23 |wU:1.0,wD:1.10,THB:9:1:5.4:7.8,(6.83,1.19,;7.23,-.29,;8.25,.72,;10.09,1.11,;10.32,2.17,;9.33,1.54,;9.03,.2,;10.37,-1.08,;11.41,-.14,;5.85,-1.01,;5.9,-2.62,;7.25,-3.37,;4.57,-3.39,;4.61,-4.92,;3.26,-5.71,;1.93,-4.94,;1.92,-3.4,;.58,-2.63,;-.76,-3.4,;.58,-1.08,;-.75,-.31,;1.92,-.31,;3.25,-1.11,;4.56,-.33,;4.54,1.22,;3.26,-2.63,)|
[H][C@@]1(CN2CCC1CC2)N1C(=O)c2cccc3c(N)c(Cl)cc(C1=O)c23 |wU:1.10,wD:1.0,THB:9:1:5.4:7.8,(8.46,-2.1,;7.7,-.77,;8.72,.25,;10.55,.65,;10.79,1.7,;9.8,1.07,;9.5,-.27,;10.83,-1.55,;11.88,-.61,;6.32,-1.48,;6.37,-3.09,;7.72,-3.84,;5.05,-3.86,;5.07,-5.39,;3.73,-6.18,;2.39,-5.41,;2.38,-3.87,;1.05,-3.09,;-.3,-3.87,;1.05,-1.55,;-.28,-.78,;2.38,-.78,;3.72,-1.57,;5.03,-.79,;5.01,.75,;3.73,-3.09,)|
CN1CCC(CC1)N1C(=O)c2cccc3c(N)c(Cl)cc(C1=O)c23
CCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
CCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(C)CC1
COc1cc(N)c(Cl)cc1C(=O)NCCCN1CCCCC1
COc1cc(N)c(Cl)cc1C(=O)CCCN1CCCCC1
COc1cc(N)c(Cl)cc1C(=O)CCC1CCNCC1
Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12 |wU:9.8,(10.51,-11.56,;10.03,-10.1,;10.93,-8.84,;10,-7.6,;10.47,-6.14,;9.44,-4.99,;11.98,-5.81,;13.01,-6.95,;12.45,-4.34,;13.94,-4.02,;14.41,-2.55,;15.91,-2.22,;16.95,-3.36,;16.47,-4.83,;14.97,-5.16,;16.06,-4.06,;14.82,-3.32,;8.55,-8.09,;7.21,-7.32,;5.88,-8.09,;5.88,-9.63,;7.21,-10.4,;8.56,-9.63,)|
Cn1cc(C(=O)C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc12 |wD:9.8,(9.31,-11.63,;8.84,-10.16,;9.73,-8.91,;8.82,-7.65,;9.29,-6.2,;8.25,-5.05,;10.79,-5.85,;11.84,-7,;11.27,-4.4,;12.77,-4.05,;13.23,-2.6,;14.74,-2.27,;15.78,-3.41,;15.3,-4.87,;13.8,-5.2,;14.89,-4.1,;13.64,-3.35,;7.35,-8.14,;6.02,-7.37,;4.68,-8.16,;4.68,-9.7,;6.02,-10.47,;7.37,-9.69,)|
CC(C)n1cnc2c(cc(Cl)cc12)C(=O)NC1CC2CCC(C1)N2C |TLB:15:16:23:19.20|
CC(C)n1cnc2c(cc(Cl)cc12)C(=O)N[C@H]1CN2CCC1CC2 |wU:16.17,(10.96,-11.59,;11.99,-10.44,;13.49,-10.75,;11.5,-8.98,;12.41,-7.74,;11.49,-6.49,;10.03,-6.98,;8.69,-6.21,;7.36,-6.98,;7.36,-8.53,;6.02,-9.3,;8.69,-9.3,;10.03,-8.51,;8.68,-4.67,;7.35,-3.92,;10.02,-3.9,;10.01,-2.36,;8.68,-1.61,;8.68,-.05,;10.02,.71,;11.35,-.05,;11.35,-1.59,;10.56,-.26,;9.47,-1.35,)|
COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCCCC2C1
COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1
COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(C)CC1
COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
[H][C@]12CCCN1CCN(C2)c1cc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)ccc1OC
Clc1ccc(OC2CCN(CC[C@H]3CCCN3S(=O)(=O)c3ccc4cc[nH]c4c3)CC2)cc1
Clc1ccc(cc1)C1=CCN(CCCCC23CCCc4c2c(NC3=O)ccc4Cl)CC1 |t:8|