1055 SMILES Strings for Alpha-2C adrenergic receptor

Compound Name
SMILES String
Fc1ccc(cc1)C(=O)C1CCN(CCCCn2c(=O)[nH]c3ccccc3c2=O)CC1
Cn1c2ncn(CCN3CCC(CC3)C(=O)c3ccc(F)cc3)c2c(=O)n(C)c1=O
[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(Cl)cccc1Cl |w:5.5|
c1ccc2c(c1)C(=O)N(C(=O)N2)CCN3CCC(CC3)C(=O)c4ccc(cc4)F
[#6]-c1nc2ccccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
[#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
COCCNc1ncc(cn1)C(=O)N1CCC(CC1)N1CCc2ccccc2C1
CCC(COC)Nc1ncc(cn1)C(=O)N1CCC(CC1)N1CCc2ccc(F)cc2C1
CCC(COC)Nc1ncc(cn1)C(=O)N1CCC(CC1)N1CCc2ccc(OC)cc2C1
CCC(COC)Nc1ncc(cn1)C(=O)N1CCC(CC1)N1CCc2cc(OC)ccc2C1
CCC(COC)Nc1ncc(cn1)C(=O)N1CCC(CC1)N1CCc2ccccc2C1
CCC(CO)Nc1ncc(cn1)C(=O)N1CCC(CC1)N1CCc2ccccc2C1
O=C(N1CCC(CC1)N1CCc2ccccc2C1)c1cnc(nc1)N1CC2(COC2)C1
Fc1ccc2CCN(Cc2c1)C1CCN(CC1)C(=O)c1cnc(nc1)N1CC2(COC2)C1
COc1ccc2CN(CCc2c1)C1CCN(CC1)C(=O)c1cnc(nc1)N1CC2(COC2)C1
OC(=O)[C@H]1CCCN1c1ncc(cn1)C(=O)N1CCC(CC1)N1CCc2ccccc2C1 |r|
O=C(N1CCC(CC1)N1CCc2ccccc2C1)c1cnc(nc1)N1CCS(=O)(=O)CC1
CC1CN(CC(C)O1)c1ncc(cn1)C(=O)N1CCC(CC1)N1CCc2ccccc2C1
CC1(C)CN(CCO1)c1ncc(cn1)C(=O)N1CCC(CC1)N1CCc2ccccc2C1
CC(=O)c1ccc2Sc3ccccc3Nc2c1
Oc1cc2CC[C@H]3NCc4ccccc4[C@H]3c2cc1O
COc1ccccc1N1CCN(CCC2C(=O)c3ccccc3C(C)(C)C2=O)CC1
COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 |t:4|
CN1C[C@H](Cn2ccnc2-c2ccccc2)C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13 |r|
CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl
Cc1cc(c(c(c1CC2=NCCN2)C)O)C(C)(C)C
Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10|
COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)c4ccco4
COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5ccccc45)C3CC12 |t:4|
COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1
COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccccc1
CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
CN(C)CCCN1c2ccc(O)cc2Sc2ccc(Cl)cc12
CCCN(CCC)C1CCc2cccc(O)c2C1
CCC1(Cc2ccccc2C1)c1cnc[nH]1
C=CCN1Cc2ccccc2-c2ccccc2C1
Clc1cccc2-[#6]-[#7](-[#6]-c12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Oc1ccc(CCNCC2CCc3ccccc3C2=O)cc1
CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
CN1CCN(CC1)C1=Nc2ccccc2Sc2nccn12 |t:8|
CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
C1CN=C(N1)C1COc2ccccc2O1 |c:2|
Clc1cncc(n1)N1CCNCC1
C1CN(CCN1)c1nccn2ccnc12
Fc1cccnc1N1CCNCC1
CCOc1ccc(CC(NC(=O)CC2(S)CCCCC2)C(=O)NC(Cc2ccccc2)C(=O)NC(C(C)C)C(=O)NC(CC(N)=O)C(=O)NC(C=S)C(=O)NC(CCCCN)C(N)=O)cc1
CN1CCC2(CCN3CCc4c(oc5ccccc45)C3C2)N(C)C1=O
CN1CCN2c3ccccc3Cc4ccccc4[C@H]2C1
Cc1cccc(C)c1CCc1cnc[nH]1
C(C1COc2ccccc2O1)N1CCCCC1
CCOC1(COc2ccccc2O1)C1=NCCN1 |t:15|
Cc1nc2SCCn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
[#6]-[#7]-1-[#6]-[#6]-c2c(Cl)ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#6]-[#6]-1
CN1CCc2cccc(Cl)c2CC1
CN1CCCC[C@H]1CCN2c3ccccc3Sc4c2cc(cc4)SC
Clc1ccc2nsnc2c1NC1=NCCN1 |t:13|
C(C1=NCCN1)c1ccccc1 |t:1|
CN1C(Cc2cc(F)ccc12)C1=NCCN1 |t:13|
C=CCn1c(cc2ccccc12)C1=NCCN1 |t:14|
CCCS(=O)(=O)N(C)C1CCN2CCc3ccccc3C2C1
CS(=O)(=O)NCCN(C1CCN2CCc3ccccc3C2C1)S(C)(=O)=O
CCCCS(=O)(=O)N(C)[C@H]1CCN2CCc3ccccc3[C@H]2C1
c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N
NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCc1ccccc1 |w:14.15|
NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
C1CN(CCN1)c1cccc2OCCOc12
Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F
c1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCCC(=O)c4ccc(cc4)F
CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
c1ccc(cc1)CCCN2CCN(CC2)CCOC(c3ccc(cc3)F)c4ccc(cc4)F
CN(C)CCCN1c2ccccc2CCc3c1cccc3
CN1Cc2c(cccc2N)[C@@H](C1)c3ccccc3
Cc1cccc2ccc(nc12)N1CCNCC1
COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC
CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(Br)c1OC
CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)ccc1OC
CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Br)c1OC
CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(CC)c1OC
CCc1cc(c(c(c1O)C(=O)NC[C@@H]2CCC[N@]2CC)OC)Cl
CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
NCCc1c[nH]c2ccc(O)cc12
C[C@@H](Cc1ccccc1)N
Nc1nc2CCN(CC=C)CCc2s1
c1cc(c(cc1CCN)O)O
CNCC(O)c1ccc(O)c(O)c1
OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
NC(=N)NC(=O)Cc1c(Cl)cccc1Cl
O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1
COc1ccc(OC)c(c1)C(O)C(C)N
NCC(O)c1ccc(O)c(O)c1
C[NH2+]C[C@H](O)c1cccc(O)c1
CC(C)NC[C@@H](COc1cccc2c1cccc2)O
CN1CCN2C(C1)c1ccccc1Cc1cccnc21
CNCCCN1c2ccccc2CCc3c1cccc3
COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
C[NH+](C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 |TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9|
CNCCC(Oc1ccccc1C)c1ccccc1
CCCN(CCC)C1Cc2c[nH]c3ccc(C(C)=O)c(C1)c23
Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1
C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@H]5CN([C@@H]6Cc7c[nH]c8c7c(ccc8)C6=C5)C
CS(=O)(=O)c1ccc2Sc3ccccc3N(CCCN3CCC(CC3)C(N)=O)c2c1
Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
OC1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C#N)CC1
Cc1ccc2nc(C)c(CCN3CCC(CC3)C(=O)c3ccc(F)cc3)c(=O)n2c1
CN(C)S(=O)(=O)c1ccc2Sc3ccccc3\C(=C\CCN3CCN(C)CC3)c2c1
Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11|
[H]C12CCC([H])(CC(C1)NC(=O)c1cc(Cl)c(N)cc1OC)N2C
COC1(COc2ccccc2O1)C1=NCCN1 |t:14|
Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12|
S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Cc1cc(NC(=O)Nc2ccc3n(C)ccc3c2)sn1
CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|
CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc21
OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|
CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)c4c5ccc(cc5on4)F
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
CN(C)CCOC1=Cc2ccccc2Sc3c1cc(cc3)Cl
c1ccc2c(c1)c(ns2)N3CCN(CC3)CCc4cc5c(cc4Cl)NC(=O)C5
NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1
CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Fc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
CN(C)C1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1
CCNC(=O)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
Oc1ccc2[C@H](CCCc2c1O)C1=NCCN1 |t:14|
Clc1cccc(Cl)c1N(CC=C)C1=NCCN1 |t:13|
CC(N)C(O)c1ccc(O)c(O)c1
Cc1cccc(c1C)[C@@H](C)c2cnc[nH]2
Fc1cccc(Cl)c1C1CN2CCN=C2C1 |c:14|
CCn1ccnc1CC1COc2ccccc2O1
C[C@@H](Oc1c(Cl)cccc1Cl)C1=NCCN1 |r,t:12|
C(C1=NCCN1)c1cccc2ccccc12 |t:1|
c1ccc2ccccc2c1
Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1 |t:7|
C1CC1C(NC1=[NH+]CCO1)C1CC1 |t:6|
[#6]-[#6]-c1cccc(-[#6]-[#6])c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
[#6]-1-[#6]-[#7]\[#6](-[#7]-1)=[#7]\c1cccc2-[#6]-[#6]-[#6]-[#6]-c12
c1cc(c(c2c1nccn2)Br)NC3=NCCN3
Cc1cccc(C)c1N=C1NCCCS1 |w:8.8|
Cc1cc(cc(C)c1CC1=NCCN1)C(C)(C)C |t:10|
[#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
CN(C)CCC=C1c2ccccc2CSc2ccccc12 |w:5.4|
CNCC[C@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F
COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F
CN(CCCN1c2ccccc2CCc2ccccc12)CC(=O)c1ccc(Cl)cc1
CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F
CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
Fc1cccc2OC3CNCC3Oc12
Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
NC1=NC2(CO1)CCc1ccccc1C2 |t:1|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)Nc2ccc(cc2)N=[N+]=[N-])[C@@H](O)[C@H]1O |r|
C(N1CCN(CC1)c1ncccn1)c1ccc2OCOc2c1
COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl
CCOc1ccccc1O[C@@H](c2ccccc2)[C@@H]3CNCCO3
COc1ccc2CC(CN(C)C)(c2c1)C1(O)CCCCC1
CC(CF)NCC(O)COc1cccc2[nH]c3ccccc3c12
CCC(=O)Nc1c(C)cc(cc1C)C(=O)N1CCC(CC1)N(C)CCc1ccccc1
COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|
[#6]-[#6](-[#6])-[#6](=O)[C@]12[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](=O)[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-[#6@H](-[#6]\[#6]=[#6](/[#6])-[#6])[C@@]1([#6])[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6]2=O |r,THB:38:37:6.8.14:22.23.29|
Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O
OCC1OC(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C(O)C1O
OCC1OC(O)C(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C1O
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O
CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O)O
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5Cc6c7c(cccc7[nH]c6Br)C5=C4)C)O
CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(Cc3c[nH]c4cccc2c34)N(CC=C)C1
CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
CCCNC1CCc2nc(N)sc2C1
CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@@H]12
CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r|
CCCN(CCC)CCc1cccc2NC(=O)Cc12
Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 |c:15|
CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
C[NH+](C)C1CCc2cc(O)c(O)cc2C1
CC(CN(C)C)CN1c2ccccc2Sc2ccc(cc12)C#N
COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1
CCn1c2nocc2c(=O)[nH]c1=O
C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1
NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12|
c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4
CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8|
CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
c1ccc2c(c1)NC(=O)N2C3CCN(CC3)CCCC(c4ccc(cc4)F)c5ccc(cc5)F
CN(C)S(=O)(=O)c1ccc2Sc3ccccc3C(=CCCN3CCN(C)CC3)c2c1 |w:18.19|
CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F
NC(CSSCC(N)C(O)=O)C(O)=O
N[C@H](CCS(O)(=O)=O)C(O)=O |r|
N[C@H](CCS(O)=O)C(O)=O |r|
N[C@@H]1CCSC1=O |r|
CSCC[C@H](C(=O)O)N
C(CS(=O)(=O)O)[C@@H](C(=O)O)N
C(CS)[C@@H](C(=O)O)N
C([C@H](C(=O)O)N)S(=O)(=O)O
C([C@@H](C(=O)O)N)S
NC(CS(O)=O)C(O)=O
C(CS(=O)(=O)O)[C@@H](C(=O)O)N
N[C@@H](CCS(O)=O)C(O)=O |r|
N[C@H]1CCSC1=O |r|
CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
COc1cccc(OC)c1OCCNCC1CSc2ccccc2O1
C[C@@H](Cc1ccc2c(c1)OCO2)NC
Cc1cccc(c1)[C@H]2CN(CCc3c2cc(c(c3Cl)O)O)C
CN1CCc2c(Br)c(O)c(O)cc2[C@@H](C1)c1cccc(C)c1 |r|
Cc1cccc(c1)C1CN(CC=C)CCc2c(Br)c(O)c(O)cc12
Cc1cccc(c1)C1CNCCc2c(Br)c(O)c(O)cc12
CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1ccc(C)cc1
CN1CCc2c(Cl)c(O)c(O)cc2C(C1)c1ccccc1C
Cc1cccc(c1)C1CNCCc2c(Cl)c(O)c(O)cc12
Cc1cccc(c1)C1CN(CC=C)CCc2c(Cl)c(O)c(O)cc12
CN1CCc2c(cc(O)c(O)c2Br)[C@@H](C1)c1cccc(c1)C(F)(F)F |r|
CN1CCc2c(Br)c(O)c(O)cc2C(C1)c1ccc(C)cc1
Cc1ccc(cc1)C1CN(CC=C)CCc2c(Br)c(O)c(O)cc12
CN1CCc2c(Br)c(O)c(O)cc2C(C1)c1ccccc1C
Cc1ccccc1C1CN(CC=C)CCc2c(Br)c(O)c(O)cc12
Cc1ccccc1C1CNCCc2c(Br)c(O)c(O)cc12
Oc1cc2C(CN(CC=C)CCc2c(Br)c1O)c1ccccc1C(F)(F)F
Oc1cc2[C@@H](CNCCc2c(Br)c1O)c1cccc(c1)C(F)(F)F |r|
CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1
Oc1cc2CCNCC(c3ccccc3)c2cc1O
Oc1cc2CCN(CC=C)CC(c3ccccc3)c2cc1O
Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1
Oc1cc2C(CN(CC=C)CCc2c(Cl)c1O)c1ccccc1
Cc1cccc(c1)[C@H]2CN(CCc3c2cc(c(c3Cl)O)O)C
CC(N)C(=O)c1ccccc1
CNC(C)C(O)c1ccccc1
CNC(C)C(=O)c1ccccc1
CC(N)C(O)c1ccccc1
CCCN1CCOC2C1CCc1ccc(cc21)C(N)=O
CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2[N+]([O-])=O)CC1
COc1ccccc1N(CCN1CCN(CC1)c1ccccc1OC)C(=O)C1CCCCC1
COc1ccc(Br)c(c1)N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2OC(F)(F)F)CC1
COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F |r|
COCC1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCc3ccccc3C2)c(F)c1
Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC(CC3CC3)C2)c(F)c1
FC(F)C1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC(C2)C(F)(F)F)c(F)c1
FCC1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC(C2)OCC2CC(F)(F)C2)c(F)c1
C[C@@H]1CCCN(C1)C1CCN(CC1)c1nc(C)c(s1)C(=O)NCc1ncc(F)cc1F |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1nc(C(=O)NCc2ncc(F)cc2F)c(C)s1 |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1nc(cs1)C(=O)NCc1ncc(F)cc1F |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1nc(c(s1)C(=O)NCc1ncc(F)cc1F)C(F)(F)F |r|
CCc1sc(nc1C(=O)NCc1ncc(F)cc1F)N1CCC(CC1)N1CCC[C@@H](C)C1 |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1nc(co1)C(=O)NCc1ncc(F)cc1F |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1nc(C(=O)NCc2ncc(F)cc2F)c(C)o1 |r|
CO[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F |r|
FC(F)OC1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
CCC1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1cc(ccn1)C(F)(F)F |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1cccc(c1)C(F)(F)F |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncccc1F |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1cc(Cl)ccc1F |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ccc(cc1)C(F)(F)F |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(Cl)cc1F |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncccc1C |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1cc(C)ccn1 |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncccc1Cl |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)N(C)Cc1ncccc1F |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1cccc(n1)C(F)(F)F |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ccc(Cl)cn1 |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1Cl |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1cccc(OC(F)(F)F)n1 |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ccc(Cl)cc1 |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1cc(F)ccc1Cl |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ccc(C)cc1 |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1cccc(C)c1 |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ccccc1C |r|
FC(F)[C@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F |r|
FC(F)[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F |r|
FC[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F |r|
Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCC[C@H](C2)C(F)(F)F)c(F)c1 |r|
CC(NC(=O)c1cnc(s1)N1CCC(CC1)N1CCC[C@H](C)C1)c1cc(F)ccc1F |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1cc(F)ccc1F |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1noc(n1)C(=O)NCc1ncc(F)cc1F |r|
C[C@@H]1CCCN(C1)C1CCN(CC1F)c1ncc(s1)C(=O)NCc1ncc(F)cc1F |r|
CC1CCCN(CC1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
CC1CCCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
CC(NC(=O)c1cnc(s1)N1CCC(CC1)N1CCC[C@@H](C)C1)c1ncc(F)cc1F |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(Cl)s1 |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ccc(F)s1 |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ccncc1 |r|
Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC(COCC(F)(F)F)C2)c(F)c1
FCC1(COCC2CCCN(C2)C2CCN(CC2)c2ncc(s2)C(=O)NCc2ncc(F)cc2F)CC1
FC(F)C1(COCC2CCCN(C2)C2CCN(CC2)c2ncc(s2)C(=O)NCc2ncc(F)cc2F)CC1
Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC(COCC3(CC3)C(F)(F)F)C2)c(F)c1
CC1(C)CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC3(CC3)C2)c(F)c1
Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC3(CC3(F)F)C2)c(F)c1
Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC(C2)OCC2CCC2)c(F)c1
Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC(C2)OCC2CC2)c(F)c1
Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC(COC3CCC3)C2)c(F)c1
Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC(COCC3CC3)C2)c(F)c1
CCOC1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
C[C@@H]1CCCN(C1)C1CCCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ccc(C)nc1 |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ccccc1 |r|
CC(F)CCOCC1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC(COCC3CC(F)(F)C3)C2)c(F)c1
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ccncc1F |r|
Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC(C2)OCC(F)(F)F)c(F)c1
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1cnc(C)cc1C |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1c(Cl)cnn1C |r|
COc1cccc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCC[C@@H](C)C2)c1 |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1cccc(O)c1 |r|
CC(CNC(=O)c1cnc(s1)N1CCC(CC1)N1CCC[C@@H](C)C1)c1ccccc1 |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ccc(F)cc1 |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1cccnc1 |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1cccc(F)c1 |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ccccc1F |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1cc(F)cc(Cl)c1 |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)Nc1ccc(F)c(c1)C#N |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)N(C)Cc1cccnc1 |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)N(C)Cc1ccncc1 |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)N(C)Cc1ccccc1 |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)Nc1ccccc1C1CC1 |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1cccc(Cl)c1 |r|
CC(NC(=O)c1cnc(s1)N1CCC(CC1)N1CCC[C@@H](C)C1)c1ccc(C)cc1 |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)Nc1cc(Cl)ccc1O |r|
COc1ccc(F)cc1NC(=O)c1cnc(s1)N1CCC(CC1)N1CCC[C@@H](C)C1 |r|
CCc1cc(NC(=O)c2cnc(s2)N2CCC(CC2)N2CCC[C@@H](C)C2)ccn1 |r|
CC(C)C1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC(C2)OCC2CC2(F)F)c(F)c1
Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC(C2)OC2CCC2)c(F)c1
Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC(C2)OC2CC(F)(F)C2)c(F)c1
C[C@@H]1CCCN(C1)C1CCN(CC1F)c1nc(cs1)C(=O)NCc1ncc(F)cc1F |r|
C[C@@H]1CCCN(C1)C1CCN(CC1F)c1nc(co1)C(=O)NCc1ncc(F)cc1F |r|
C[C@@H]1CCCN(C1)C1CCN(CC1F)c1ncc(s1)C(=O)NCc1cc(Cl)ccc1F |r|
Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCC[C@H](C2)OCC2CC2)c(F)c1 |r|
CC(NC(=O)c1cnc(s1)N1CCC(C(F)C1)N1CCC[C@@H](C)C1)c1cc(F)ccc1F |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1nc(c(s1)C(=O)NCc1ncc(F)cc1F)-c1ccccc1Cl |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1nc(Br)c(s1)C(=O)NCc1ncc(F)cc1F |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1nc(Cl)c(s1)C(=O)NCc1ncc(F)cc1F |r|
CCCC1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
C[C@@H]1CCCN(C1)C1CCN(CC1)c1nc(C2CC2)c(s1)C(=O)NCc1ncc(F)cc1F |r|
FCCC1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCCC2)c(F)c1
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NC1(CC1)c1ncc(F)cc1F |r|
CCc1nc(sc1C(=O)NCc1ncc(F)cc1F)N1CCC(CC1)N1CCC[C@@H](C)C1 |r|
Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC(C2)c2ccccc2)c(F)c1
FC1CN(CCC1N1CCCC2(CC2(F)F)C1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
FC1CN(CCC1N1CCCC2(CC2)C1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC3(COC3)C2)c(F)c1
Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC(C2)C2CC2)c(F)c1
Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC(C2)C2CCC2)c(F)c1
Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCc3ccc(Cl)cc3C2)c(F)c1
COc1cccc2CCN(Cc12)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCc3cccc(Cl)c3C2)c(F)c1
Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCc3c(Cl)cccc3C2)c(F)c1
Cc1ccc2CCN(Cc2c1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCc3cccc(F)c3C2)c(F)c1
COc1ccc2CN(CCc2c1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
Cc1ccc2CN(CCc2c1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
COCCC1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
CC(C)(C)C1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ncc(F)cc1F
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)N(C)Cc1ncc(F)cc1F |r|
C[C@@H]1CCCN(C1)C1CCN(CC1)c1ncc(s1)C(=O)NCc1ccccc1Cl |r|
COc1cc(CC(C)N)c(OC)cc1Br
CC(N)Cc1ccc2OCOc2c1
CNC(C)Cc1ccc2c(c1)OCO2
COc1cc(cc(c1OC)OC)CCN
COc1cc(CCN)c(OC)cc1Br
CN(C)CCc1c[nH]c2c1cccc2
CN(C)CCc1c[nH]c2c1c(ccc2)O
CN(C)CCc1c[nH]c2c1cc(cc2)OC
CCc1cc(OC)c(CCN)cc1OC
CCSc1cc(OC)c(CCN)cc1OC
CCSc1cc(OC)c(CC(C)N)cc1OC
CCOc1cc(OC)c(CC(C)N)cc1OC
COc1ccc2[nH]cc(CCN(C)C(C)C)c2c1
CC(C)N(CCc1c[nH]c2ccccc12)C(C)C
COc1ccc2[nH]cc(CCN(C(C)C)C(C)C)c2c1
CCCN(CCC)CCc1c[nH]c2ccccc12
CCSc1cc(OC)c(CC(N)CC)cc1OC
CN(C)CCc1c[nH]c2cc(F)ccc12
CCN(CC)C(=O)N[C@@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C
NCCc1c2CCOc2c(Br)c2CCOc12
COc1cc(CC(C)N)c(OC)cc1C
COc1cc(CC(C)N)cc(OC)c1OC
CCc1cc(OC)c(CC(C)N)cc1OC
COc1cc(OC)c(OC)cc1CC(C)N
c1cc2c(c[nH]c2nc1)CN3CCN(CC3)c4ccc(cc4)Cl
Cc1ccc(cc1C)N1CCN(Cc2nc3ccccc3[nH]2)CC1
C(C1Cc2ccccc2C1)N1CCN(CC1)c1ccc2OCCOc2c1
C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3nc(oc3C)-c3c(C)cccc3Cl)CC2)C1 |r|
O=C(OCc1ccccc1)N1Cc2ccc(cc2C1)N1CCN(CC1)C1CCCC1
COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1
C(N1Cc2ccc(cc2C1)N1CCOCC1)c1ccccc1
CN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1
c1cc(ccc1C(CCCN2CCC(CC2)(c3ccc(c(c3)C(F)(F)F)Cl)O)c4ccc(cc4)F)F
CC1=C(C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N1)c1ccc2OCOc2c1)C(O)=O |t:1,31|
CO\C(O)=C1\C(C(C(=O)NCCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:37,t:34|
COC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:36,t:33|
CC1=C(C#N)C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N1)c1ccc(cc1)[N+]([O-])=O |c:1,t:33|
CC1=C(C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N1)c1ccc2OCOc2c1)C(N)=O |t:1,31|
CNC(=O)C1=C(C)NC(C)=C(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,9|
CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(OC)cc1 |c:36,t:33|
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
CO\C(O)=C1\C(C(C(=O)N(C)CCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:37,t:34|
CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)C#N |c:36,t:33|
CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(Cl)c(Cl)c1 |c:36,t:33|
CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(C)cc1 |c:36,t:33|
CC(=O)C1=C(C)NC(C)=C(C1c1ccc2OCOc2c1)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:3,8|
CN(C)C(=O)C1=C(C)NC(C)=C(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:5,10|
CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:29,t:26|
CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc2ccccc2c1 |c:36,t:33|
CO\C(O)=C1\C(C(C(=O)NCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:35,t:32|
CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)c2ccccc2)=C(C)N=C1C)c1ccc(Cl)c(c1)[N+]([O-])=O |c:29,t:26|
CC(C)C1=C(C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(N1)C(C)C)c1ccc(cc1)[N+]([O-])=O)C(N)=O |c:33,t:3|
CNC(=O)C1=C(C)NC(C)=C(C1c1ccc2OCOc2c1)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,9|
CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc2OCOc2c1 |c:36,t:33|
CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1|
CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(Cl)cc1 |c:36,t:33|
CC(=O)C1=C(C)NC(C)=C(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:3,8|
CCC1=C(C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(CC)N1)c1ccc(cc1)[N+]([O-])=O)C(N)=O |t:2,32|
CO\C(O)=C1\C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(c(OC)c1)[N+]([O-])=O |c:36,t:33|
CCC[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 |t:13,THB:10:9:8:6.5|
C1CN=C(N[C@H]2CCCC[C@@H]2c2ccccc2)O1 |t:2|
C(C[C@H]1CCCC[C@@H]1NC1=NCCO1)Cc1ccccc1 |t:10|
CCC[C@H]1CCCC[C@@H]1NC1=NCCO1 |t:11|
C([C@H]1C2CCC(C2)[C@H]1NC1=NCCO1)c1ccccc1 |t:11,THB:8:7:6:3.4|
C([C@H]1CCCC[C@@H]1NC1=NCCO1)c1ccccc1 |t:9|
C(C[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1)Cc1ccccc1 |t:12,THB:9:8:7:5.4|
C(\C=C\c1ccccc1)[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 |t:20,THB:16:15:14:12.11|
C(Cc1ccccc1)[C@H]1CCCC[C@@H]1NC1=NCCO1 |t:17|
CC(C)Sc1ccccc1NCC1=NCCN1
CS(=O)(=O)c1cccc(F)c1NCC1=NCCN1 |t:14|
CS(=O)(=O)c1ccccc1NCC1=NCCN1 |t:13|
CSc1c(F)cccc1NCC1=NCCN1 |t:12|
CCS(=O)(=O)c1ccccc1NCC1=NCCN1 |t:14|
CSc1cc(F)ccc1NCC1=NCCN1 |t:12|
CS(=O)(=O)c1c(F)cccc1NCC1=NCCN1 |t:14|
CSc1ccc(F)cc1NCC1=NCCN1 |t:12|
CS(=O)(=O)c1cc(Cl)ccc1NCC1=NCCN1 |t:14|
CCCS(=O)(=O)c1ccccc1NCC1=NCCN1
CSc1ccc(cc1NCC1=NCCN1)C(F)(F)F |t:11|
CSc1ccccc1NCC1=NCCN1 |t:11|
C[S+]([O-])c1ccccc1NCC1=NCCN1
CSc1ccc(C)cc1NCC1=NCCN1 |t:12|
CS(=O)(=O)c1cc(F)ccc1NCC1=NCCN1 |t:14|
CS(=O)(=O)c1ccc(cc1NCC1=NCCN1)C(F)(F)F |t:13|
CS(=O)(=O)Nc1ccc(F)c(c1)[C@@H](O)CN
CCSc1ccccc1NCC1=NCCN1
COc1ccc(SC)c(NCC2=NCCN2)c1 |t:11|
CSc1ccc(Cl)cc1NCC1=NCCN1 |t:12|
O=S1(=O)CCCc2cccc(NCC3=NCCN3)c12 |t:13|
CS(=O)(=O)c1ccc(Cl)cc1NCC1=NCCN1 |t:14|
CC(C)S(=O)(=O)c1ccccc1NCC1=NCCN1 |t:15|
Cc1ccc(c(NCC2=NCCN2)c1)S(C)(=O)=O |t:8|
COc1ccc(c(NCC2=NCCN2)c1)S(C)(=O)=O |t:9|
CS(=O)(=O)c1ccc(F)cc1NCC1=NCCN1 |t:14|
CC(Oc1ccccc1-c1cccnc1)C1=NCCN1 |t:17|
CC(Oc1ccccc1-c1cccc(F)c1)C1=NCCN1 |t:18|
CC(Oc1ccccc1-c1cccc(C)c1)C1=NCCN1 |t:18|
CC(Oc1ccccc1-c1ccc(C)cc1)C1=NCCN1 |t:18|
CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|
CC(Oc1ccccc1-c1ccccc1)C1=NCCS1 |t:17|
CC(Oc1ccccc1-c1ccc(O)cc1)C1=NCCN1 |t:18|
CC(Oc1ccccc1-c1cccs1)C1=NCCN1 |t:16|
CC(Oc1ccccc1-c1ccccn1)C1=NCCN1 |t:17|
CC(Oc1ccccc1-c1ccsc1)C1=NCCN1 |t:16|
CC(Oc1ccccc1-c1ccccc1[N+]([O-])=O)C1=NCCN1 |t:20|
CC(Oc1ccccc1-c1ccccc1O)C1=NCCN1 |t:18|
C1CN=C(N1)C1OC1c1ccccc1-c1ccccc1 |c:2|
CC(Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|
CC(Oc1ccccc1-c1cccc(N)c1)C1=NCCN1 |t:18|
CC(Nc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|
c1cc(c(cc1[C@H](CN)O)O)O
CC(Oc1ccccc1-c1ccccc1C)C1=NCCN1 |t:18|
CC(Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 |t:18|
CC(Oc1ccccc1-c1ccccc1)C1=NCCC1 |t:17|
CC(Oc1ccccc1-c1ccccc1)C1=NCCO1 |t:17|
CC(Oc1ccccc1-c1ccncc1)C1=NCCN1 |t:17|
C1CN=C(N1)C1OC1c1ccccc1-c1ccccc1
CC(Oc1ccccc1-c1ccc(cc1)[N+]([O-])=O)C1=NCCN1 |t:20|
CC(Sc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|
CCN(CC)CCC[C@@H](C)Nc1ccnc2c1ccc(c2)Cl
COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12
CCCN1CCC=C(C1)c1cc(no1)-c1ccc(C)cc1 |c:6|
CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 |r|
OC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
COC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
COc1ccccc1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1
COc1cccc(OC)c1OCCNCC1COc2ccccc2O1
C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 |r,t:14|
C(Oc1ccccc1CC1CC1)C1=NCCN1 |t:14|
C(Oc1ccccc1OC1CC1)C1=NCCN1 |t:14|
CC(Oc1ccccc1OC1CC1)C1=NCCN1 |t:15|
Brc1ccccc1OCC1=NCCN1 |t:10|
CCCc1ccccc1OC(C)C1=NCCN1 |t:13|
C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 |r,t:14|
C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,t:15|
C[C@H](Oc1ccccc1CC=C)C1=NCCN1 |r,t:13|
C[C@@H](Oc1ccccc1CC=C)C1=NCCN1 |r,t:13|
CCCc1ccccc1OCC1=NCCN1 |t:12|
C(Oc1ccccc1C1CC1)C1=NCCN1 |t:13|
CC(Oc1ccccc1Br)C1=NCCN1 |t:11|
CC(Oc1ccccc1C1CC1)C1=NCCN1 |t:14|
CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15|
C=CCc1ccccc1OCC1=NCCN1 |t:12|
C1CN=C(N1)c1cc2ccccc2o1 |c:2|
CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13|
C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,t:15|
[#6]-1-[#6]-[#7]\[#6](-[#7]-1)=[#7]/n1ncc2ccccc12
Fc1ccc2cnn(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)c2c1
Fc1cccc2cnn(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)c12
CNCc1cc(ccc1Cl)OCc2ccc3ccc(nc3c2)N
CB1Nc2cccc(OCC(O)CN(C)C)c2C=C1 |c:18|
CB1Nc2c(OCC(O)CN(C)C)cccc2C=C1 |c:18|
[#6]-c1c(ccc2nccnc12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
[#6]-c1c(ccc2-[#7]-[#6]-[#6]-[#7]-c12)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
[#7]-c1cc(Cl)c(\[#7]=[#6]-2\[#7]-[#6]-[#6]-[#7]-2)c(Cl)c1
[#6]-c1c(ccc2-[#8]-[#6]-[#6]-[#7]-c12)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
[H][C@@]12CCN[C@]1(C)CN(c1ccccc1)c1ccccc21 |r|
CC[C@H]1c2ccccc2N(C[C@@]1(C)N)c1ccccc1 |r|
CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N |r|
CC[C@H]1c2cc(C)ccc2OC[C@@]1(C)N |r|
[H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
Cc1c(Nc2ncc[nH]2)ccc2OCCOc12
COc1c(C)c(Nc2ncc[nH]2)c(C)cc1C(C)(C)C
Cc1c(Nc2ncc[nH]2)ccc2OCCNc12
Cc1c(Nc2ncc[nH]2)ccc2nccnc12
N(c1ncc[nH]1)c1ccc2nc[nH]c2c1
Brc1ccccc1Nc1ncc[nH]1
COc1ccc(Nc2ncc[nH]2)c(C)c1OC
Clc1cccc(Cl)c1Nc1ncc[nH]1
COc1ccc(Nc2ncc[nH]2)c(C)c1
COc1cc(C)c(Nc2ncc[nH]2)cc1C(C)(C)C
N(c1ncc[nH]1)c1ccc2nccnc2c1
Brc1c(Nc2ncc[nH]2)ccc2nccnc12
COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncccc6sc5c4=O)C[C@@H]3CCc12
CCOc1ccccc1OCCN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC
CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:33,t:30|
[H][C@@]1(CC)CN2CCc3c([nH]c4cccc(OC)c34)[C@]2([H])C[C@]1([H])C(=C/OC)\C(=O)OC
COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1
COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1
COc1ccc(OCCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)cc1
CCCN[C@H]1CCc2c(sc(n2)N)C1
Cc1sc(C)c2C(CCCc12)c1cnc[nH]1
Cc1sc(C)c2c1CCC=C2c1cnc[nH]1 |c:10|
C1CC(c2cnc[nH]2)c2ccsc2C1
OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(Cl)s1)-c1ccc(cc1)C1CCNCC1
CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2)=C1C)c1ccc(F)c(F)c1 |c:29|
CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1C#N |t:1|
CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2C#N)=C1C)c1ccc(F)c(F)c1 |c:31|
CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1F |t:1|
CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2C#N)=C1C)c1ccc(F)c(F)c1 |c:29|
CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2F)=C1C)c1ccc(F)c(F)c1 |c:30|
CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |t:1|
CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1C#N |t:1|
C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r|
Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12
Cc1cc(c(c2c1cccc2)NC3=NCCN3)Br
Cc1cc(C)c2[nH]ccc2c1CN1CCCCC1c1ccc(cc1)C(O)=O
Cc1cc(c2c(c1CN3CC[C@@H](C[C@H]3CO)OC)cc[nH]2)C
OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)-c1cn(nn1)-c1ccc(cc1)C(F)(F)F
CCCCCc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O
[O-][N+](=O)c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 |wU:14.14,wD:17.18,(-3.71,-.58,;-5.05,-1.36,;-6.38,-.59,;-5.04,-2.91,;-6.38,-3.68,;-6.38,-5.24,;-5.04,-6.01,;-3.71,-5.24,;-3.71,-3.68,;-2.38,-2.9,;-2.38,-1.36,;-1.96,-4.4,;-1.03,-3.67,;.3,-2.9,;1.64,-3.66,;2.97,-2.88,;4.31,-3.65,;4.31,-5.19,;5.64,-5.96,;6.98,-5.19,;8.32,-5.96,;9.66,-5.19,;9.64,-3.66,;10.99,-2.88,;12.33,-3.67,;13.65,-2.91,;14.97,-3.67,;14.97,-5.21,;13.64,-5.99,;12.31,-5.2,;10.99,-5.97,;2.98,-5.96,;1.64,-5.2,)|
CN1CCN=C1Cc1cccnc1 |c:4|
CC(=O)N1CCC(CC1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:28|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
COc1ccc2C3=NOC(CN4CCN(C\C=C\c5ccccc5)CC4)C3COc2c1 |t:6|
[H][C@@]12COc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(C\C=C/c2ccccc2)CC1 |c:16|
COc1cc2OCC3C(CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:28|
COc1cc2OCC3C(CN4CCN(CCC(=O)c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
COc1cc2OCC3C(CN4CCN(Cc5ccccc5)CC4)ON=C3c2cc1OC |c:26|
COc1cc2OCC3C(CN4CCN(Cc5cccc6ccccc56)CC4)ON=C3c2cc1OC |c:31|
COc1cccc2[C@H](CN(C)CCc3ccc4ccoc4c3)CCCc12
COc1cc2OCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
COc1cc2OC[C@H]3[C@H](CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC |c:31|
COc1cc2OCC3C(CN4CCN(CC5=Cc6ccccc6C5)CC4)ON=C3c2cc1OC |c:30,t:15|
COc1cc2OCC3C(CN4CCN(CCCc5ccccc5)CC4)ON=C3c2cc1OC |c:28|
C(\C=C\c1ccccc1)N1CCN(CC2ON=C3C2COc2ccccc32)CC1 |c:17|
COc1ccc2OCC3C(CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2c1 |c:29|
COc1cc2OCC3C(CN4CCN(Cc5cc6ccccc6s5)CC4)ON=C3c2cc1OC |c:30|
COc1cc2OCC3C(CN4CCN(Cc5cnc6ccccc6c5)CC4)ON=C3c2cc1OC |c:31|
COc1cc2OCC3C(CN4CCN(Cc5csc6ccccc56)CC4)ON=C3c2cc1OC |c:30|
Fc1ccc2CC(CC3CNC=N3)Cc2c1 |c:11|
COc1cc2OCC3C(CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC |c:31|
COc1cc2OCC3C(CN4CCN(Cc5ccc6ncccc6c5)CC4)ON=C3c2cc1OC |c:31|
COc1cc2OCC3C(CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
COc1cc2OCC3C(CN4CCN(CCc5ccccc5)CC4)ON=C3c2cc1OC |c:27|
OC(=O)c1ccc(cc1)C#Cc1ccc2OC(C(=Cc2c1)[N+]([O-])=O)C(F)(F)F |c:18|
COc1ccc2c(c1)[nH]c1c(C)nccc21
COc1ccc2c3CCNCc3[nH]c2c1
CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2cnco2)c(OC(F)F)c1 |r|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |c:29|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cccs5)CC4)ON=C3c2cc1OC |c:28|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cc(F)ccc5F)CC4)ON=C3c2cc1OC |c:31|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5cccc(F)c5)CC4)ON=C3c2cc1OC |c:29|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5cccs5)CC4)ON=C3c2cc1OC |c:28|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5F)CC4)ON=C3c2cc1OC |c:29|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccco5)CC4)ON=C3c2cc1OC |c:28|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C/c5ccccc5)CC4)ON=C3c2cc1OC |c:28|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cccc(F)c5)CC4)ON=C3c2cc1OC |c:30|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccc(Cl)cc5)CC4)ON=C3c2cc1OC |c:29|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccc(F)cc5)CC4)ON=C3c2cc1OC |c:30|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccsc5)CC4)ON=C3c2cc1OC |c:28|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccc(O)cc5)CC4)ON=C3c2cc1OC |c:30|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5OC)CC4)ON=C3c2cc1OC |c:31|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccc(F)cc5F)CC4)ON=C3c2cc1OC |c:31|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cccnc5)CC4)ON=C3c2cc1OC |c:29|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccco5)CC4)ON=C3c2cc1OC |c:28|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5OC)CC4)ON=C3c2cc1OC |c:31|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |c:30|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccsc5)CC4)ON=C3c2cc1OC |c:28|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5cccc(F)c5F)CC4)ON=C3c2cc1OC |c:31|
NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|
NCCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12 |r|
NCCCCN(C[C@H]1Cc2cccnc2CN1)[C@H]1CCCc2cccnc12 |r|
CN(CCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12)C1CCC(F)(F)CC1 |r|
C(CCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCOCC1 |r|
CN(CCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12)C1CCOCC1 |r|
C(CCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12)CNC1COC1 |r|
C(CC1CCNCC1)CN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12 |r|
C(CCN1CCOCC1)CN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12 |r|
CN(C)C[C@H]1CC2[C@H](O1)c1cc(F)ccc1Oc1ccccc21
CN1CCN2C(C1)c1ccccc1Cc1ccccc21
CN(C)C[C@H]1CC2[C@H](O1)c1cc(Cl)ccc1Oc1ccccc21
CN(C)C[C@H]1C[C@H]2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
CN(C)C[C@@H]1CC2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
CN(C)C[C@H]1CC2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
CN(C)C[C@H]1CC2[C@H](O1)c1ccccc1Cc1ccccc21
CN(C)C[C@@H]1CC2[C@H](O1)c1cc(Cl)ccc1Oc1ccccc21
CN(C)C[C@@H]1CC2[C@H](O1)c1cc(F)ccc1Oc1ccccc21
CN(C)C[C@H]1CC2[C@H](O1)c1cc(Br)ccc1Oc1ccccc21
CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl
CC(=O)Oc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:8|
C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(O)ccc32)CC1)=C/c1ccccc1 |c:10|
C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC(=O)C4CC4)ccc32)CC1)=C/c1ccccc1 |c:10|
[H][C@@]12CN(C)c3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(CCC\C(C)=C\c2ccccc2)CC1 |c:17|
[H][C@@]12COc3ccccc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:12|
[H][C@@]12CNc3ccccc3C1=NO[C@H]2CN1CCN(Cc2ccc3ccccc3c2)CC1 |c:12|
[H][C@@]12CNc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(C\C(C)=C\c2ccccc2)CC1 |c:16|
[H][C@@]12C=Cc3cc(OC)ccc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:2,14|
[H][C@@]12CNc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:16|
[H][C@@]12CNc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(Cc2ccc3ncccc3c2)CC1 |c:16|
[H][C@@]12CNc3ccccc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:12|
[H][C@@]12C=Cc3ccccc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:2,12|
CN(C)CCOc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:10|
[H][C@@]12CN(C(=O)OCC)c3ccccc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:17|
[H][C@@]12CNc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(Cc2ccc3ccccc3c2)CC1 |c:16|
[H][C@@]12CN(C(=O)NCC)c3ccccc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:17|
[H][C@@]12CNc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(Cc2ccc(Cl)cc2)CC1 |c:16|
[H][C@@]12CNc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(C\C=C(/C)c2ccccc2)CC1 |c:16|
[H][C@@]12C=Cc3cc(OC)ccc3C1=NO[C@H]2CN1CCN(Cc2ccc3ccccc3c2)CC1 |c:2,14|
[H][C@@]12CNc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(CCOc2ccc(F)cc2)CC1 |c:16|
[H][C@@]12CN(C)c3ccccc3C1=NO[C@H]2CN1CCN(C\C=C\c2ccccc2)CC1 |c:13|
COCC(=O)Oc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:10|
COc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:6|
C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC(=O)c4ccncc4)ccc32)CC1)=C/c1ccccc1 |c:10|
C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC4CCCC4)ccc32)CC1)=C/c1ccccc1 |c:10|
CCOCCOCCOc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:13|
C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC(=O)C(C)(C)C)ccc32)CC1)=C/c1ccccc1 |c:10|
COCCOc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:9|
CC(=O)N1C[C@H]2[C@H](CN3CCN(CCC\C=C\c4ccccc4)CC3)ON=C2c2ccccc12 |c:28|
C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(OC(=O)C=C)ccc32)CC1)=C/c1ccccc1 |c:10|
[2H]c4c([2H])c([2H])c([C@@H]3C[C@@H](N1CCN(C([2H])([2H])[2H])C(C)(C)C1)c2cc(Cl)ccc23)c([2H])c4[2H]
[2H]c4c([2H])c([2H])c([C@@H]3C[C@@H](N1CCNC(C)(C)C1)c2cc(Cl)ccc23)c([2H])c4[2H]
O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC2[C@H]1C(=O)NCCCNC(=O)[C@@H]1[C@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@@H]12
NCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC12
COC(=O)CNC(=O)CNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC12
CC(C)(C)OC(=O)NCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC12
O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC2[C@H]1C(=O)NCCCNC(=O)OCc1ccccc1
O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC2[C@H]1C(O)=O
O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC2[C@H]1C(=O)NCCCC(O)=O
COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC12
COC(=O)CNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC12
O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3CC2[C@H]1C(=O)NCCCC(=O)OCc1ccccc1
COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(F)cc21
[#6]-[#8]-c1cccc(c1)-[#7](\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1)-c1ccc(-[#6])cc1
[#6]-c1ccc(cc1)-[#7](\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1)-c1cccc(-[#8])c1
COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
C[C@H](N)Cn1ncc2ccc(O)cc12
C[C@@H](N)Cn1ncc2ccc(O)cc12
COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1
OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5|
C(Nc1ncc(-c2cccnc2)c2nncn12)c1cccc2OCCc12
CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
COc1cccc(F)c1CNc1ccc(-c2cnc(C)nc2C)c2nncn12
C(Nc1ncc(-c2ccncc2)c2nncn12)c1cccc2OCCc12
O[C@H]1CC[C@@H](CC1)n1cnc2n(Cc3ccccc3)c(c(-c3ccccc3)c2c1=N)-c1ccccc1 |wU:4.7,wD:1.0,(20.99,-11.86,;22.33,-11.09,;23.66,-11.86,;25,-11.09,;25,-9.55,;23.66,-8.78,;22.33,-9.55,;26.33,-8.78,;26.33,-7.24,;27.66,-6.47,;29,-7.24,;30.46,-6.76,;30.94,-5.3,;29.91,-4.15,;30.38,-2.69,;29.35,-1.55,;27.85,-1.87,;27.37,-3.33,;28.4,-4.47,;31.37,-8.01,;30.46,-9.26,;30.94,-10.72,;32.44,-11.04,;32.92,-12.5,;31.89,-13.65,;30.38,-13.33,;29.91,-11.86,;29,-8.78,;27.66,-9.55,;27.66,-11.09,;32.91,-8.01,;33.68,-6.68,;35.22,-6.68,;35.99,-8.01,;35.22,-9.34,;33.68,-9.34,)|
O=C1C2C3CCC(C3)C2C(=O)N1CC1CCCCC1CN1CCN(CC1)c1nsc2ccccc12
CC[Si](CC)(CC)C#Cc1cccc2C=C(C(Oc12)C(F)(F)F)[N+]([O-])=O |c:14|
CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(Cl)ccc23)cc1
CCN(CC)CCNc1ccc(Nc2c(CC)c(C)nc3c(C)cccc23)cc1
CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)cnc3ccc(F)cc23)cc1
CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)cnc3ccccc23)cc1
CC(O)c1c(C)nc2ccccc2c1Nc1ccc(cc1)N1CCN(C)C(C)C1
Cc1nc2ccccc2c(Nc2ccc(NCCN3CCCC3)cc2)c1C
C[C@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)c(C)ccc23)cc1
CN1CCN(CC1)c1ccc(Nc2c(Cc3ccccc3)c(C)nc3ccccc23)cc1
CC1CN(CCN1C)c1ccc(Nc2c(CO)c(C)nc3ccccc23)cc1
CN1CCCN(C1)c1ccc(Nc2c(C)c(C)nc3c(C)cccc23)cc1
CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)c(C)ccc23)cc1
CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)ccc(C)c23)cc1
C[C@@H]1CN(CCN1)c1ccc(Nc2c(CO)cnc3ccccc23)cc1
C[C@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)ccc23)cc1
CC1CN(CCN1C)c1ccc(Nc2c(CO)cnc3ccc(F)cc23)cc1
CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)c(C)nc3ccccc23)cc1
CCN1CCN(CC1)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3ccc(F)cc23)cc1
CC1CN(CCN1C)c1ccc(Nc2c(C)cnc3ccccc23)cc1
C[C@@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)c(C)ccc23)cc1
C[C@@H]1CN(CCN1C)c1ccc(Nc2c(C)c(CO)nc3ccccc23)cc1
CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)cccc23)cc1
Cc1nc2ccccc2c(Nc2ccc(cc2)N2CCN3CCCCC3C2)c1C
CCc1c(C)nc2c(C)cccc2c1Nc1ccc(cc1)N1CCCN(C)CC1
CN1CCN(CC1)c1ccc(Nc2c(c(C)nc3ccccc23)-c2ccccc2)cc1
CCc1c(C)nc2ccccc2c1Nc1ccc(cc1)N1CCN(C)CC1
CN1CCN(CC1)c1ccc(Nc2ccnc3ccccc23)cc1
CN1CCN(CC1)c1ccc(Nc2c(C)cncc2C)cc1
CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cccc(Cl)c23)cc1
CN1CCN(CC1)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)cnc3cc(Cl)ccc23)cc1
CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)cc(C)c23)cc1
CN1CCN(CC1(C)C)c1ccc(Nc2c(C)cnc3ccccc23)cc1
C[C@@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)ccc23)cc1
CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)ccc23)cc1
CN1CCN(CC1)c1ccc(Nc2c(C)c(C)nc3ccccc23)cc1
C[C@@H]1CN(CCN1C)c1ccc(Nc2c(CO)cnc3ccc(F)cc23)cc1
C[C@@H]1CN(CCN1C)c1ccc(Nc2c(CO)cnc3ccccc23)cc1
CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cccc(C)c23)cc1
CC(C)c1c(C)nc2ccccc2c1Nc1ccc(cc1)N1CCN(C)CC1
CCc1c(C)nc2CCCCc2c1Nc1ccc(cc1)N1CCN(C)C(C)C1
CC1CN(CCN1C)c1ccc(Nc2c(c(C)nc3ccccc23)-c2ccccc2)cc1
CN1CCN(CC1)c1ccc(Nc2cc(C)nc3ccccc23)cc1
OC(=O)c1ccccc1Nc1cc(cc(c1)C(F)(F)F)C#C
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cc(F)cc2cccnc12
C(CN1CCN(CC1)c1ccccn1)Cc1nc2ccccc2s1
CCCN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)OCc3ccccc3)c2c1
[11CH3]OCc1cccnc1N1CCN(C[C@H]2COc3ccccc3O2)CC1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(c2c(NCc3ccccc3)ncnc12)C(F)(F)F |r|
FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
C[C@@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|
C[C@H](Oc1ccccc1-c1cccc(c1)[N+]([O-])=O)C1=NCCN1 |t:20|
C[C@H](c1cnc[nH]1)c1cccc(C)c1C
C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|
C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
CC1=CC[C@@H]2C[C@H]1[C@H](c1ccnc3ccccc13)NC2(C)C
CC1=CC[C@@H]2C[C@H]1[C@H](c1cccc3ncccc13)NC2(C)C
CC1=CC[C@@H]2C[C@H]1[C@H](c1ccc(F)c(C(F)(F)F)c1)NC2(C)C
CC1=CC[C@@H]2C[C@H]1[C@H](c1ccc(F)c(F)c1)NC2(C)C
COc1cc([Se]C(F)(F)F)c(OC)cc1CCN
O[C@H]1[C@H](n2cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CCl)[C@H]1O
CCSC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O
c1ccc(cc1)Nc2cc(ccc2C(=O)N3CCC(CC3)N4CCCC4)C(=O)N5CCC(CC5)N6CCCC6
CC[C@@H]1O[C@@](\C=C\C2CC2)(c2c(F)c(F)ccc2NC1=O)C(F)(F)F |r|
CNC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
C(C1COc2ccccc2O1)N1CCCN(Cc2nc(no2)-c2cccnc2Oc2ccccc2)CC1
O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1cccc(c1)C#N
C(CN1CCCN(CC2COc3ccccc3O2)CC1)OCc1cccnc1Oc1ccccc1
O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1
COc1ccccc1N1CCN(CC2COc3ccccc3O2)CC1
C(C1CCc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
CCCCOc1cccc(n1)C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
CCCCOc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
O=C(NCCN1CCCN(C[C@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 |r|
CC(C)(C)Nc1ncccc1C(=O)NCCN1CCCN(CC2COc3ccccc3O2)CC1
O=C(NCCN1CCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1
O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1
C(C1COc2ccccc2C1)N1CCN(Cc2ccccc2)CC1
O=C(NCCN1CCCN(C[C@@H]2COc3ccccc3O2)CC1)c1cccnc1Oc1ccccc1 |r|
COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
CCN(CC)C(=O)[C@H]1CN[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |r,c:21|
CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1 |r,c:21|
COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Fc1cccc(CCNC23OC4C5C6C(C25)C2CC6C4C32)c1 |THB:18:19:15.12:10,13:12:19.20:10,14:15:19.20:10,16:20:15.12:10|
OC12C3C4C5C3C(C3C5CC4C13)N2CCc1cccc(F)c1 |TLB:1:11:4.3:9,6:7:4.3:9,THB:2:3:9:7.11,5:4:9:7.11|
OC12C3C4C5C3C(C3C5CC4C13)N2Cc1cccc(F)c1 |TLB:1:11:4.3:9,6:7:4.3:9,THB:2:3:9:7.11,5:4:9:7.11|
COc1ccc(cc1)-c1c(C#N)c(nn1-c1ccccc1I)C(=O)NN1CCCCC1
CN1CC2[C@H](CN3CCN(C\C=C\c4ccccc4)CC3)ON=C2c2ccccc12 |r,c:24|
Oc1ccc2[C@@H]3CNCC[C@H]3[C@@H](Cc2c1O)c1ccccc1 |r|
C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
CN(CCc1cccc(F)c1)[C@@H]1C2C3CC4C5CC(C2C35)C14 |r,THB:12:19:17:15.21,11:21:19.20:17,13:20:17:15.21,14:15:19.20:17|
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ncccn1
Fc1ccc(CCCCN2CCN(CC2)c2ccccn2)cc1
Fc1ccc(SCCCN2CCN(CC2)c2ccccn2)cc1
Fc1ccc(OCCCN2CCN(CC2)c2ccccn2)cc1
CCC1=NC(COCCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2|
CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1|
CCC1=NC(CCCCOC)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2|
CCC1=NC(COCCN=[N+]=[N-])=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:11,t:2|
CCCC1=C(C(C(C(=O)NCC)C(CC)=N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:14,t:3|
CCNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(COCCN)N=C1CC)c1ccc(cc1)[N+]([O-])=O |c:41,t:34|
CCC1=NC(COCC(F)(F)F)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:11,t:2|
CCC1=NC(COC)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:7,t:2|
CCC1=NC(COCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:9,t:2|
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4cccc(C)c4)c3c2=O)CC1
COC(=[OH+])C1=C(C)N=C(C)C(C1c1ccc(cc1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|
COC(=[OH+])C1=C(C)N=C(C)C([C@H]1c1cccc(c1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|
COC(=[OH+])C1=C(C)N=C(C)C([C@@H]1c1cccc(c1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|
COC(=O)C1=C(C)NC(C)=C([C@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |r,c:4,9|
CNC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1ccc(cc1)[N+]([O-])=O
CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23
Cc1nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c(-c2ccc(cc2)[N+]([O-])=O)c1C(N)=O
C[C@H]1[C@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]2C(=CO1)C(=O)OC
CN1CCc2c(Cl)ccc3oc(Br)c(C1)c23
CCc1sc2ccc(Cl)c3CCN(C)Cc1c23
COC(=O)c1c(C)nc(C)c(C(=O)OCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1ccc(cc1)[N+]([O-])=O
COC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1cccc(c1)[N+]([O-])=O
COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
[#6]-[#8]-c1nc(-[#6])nc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
CC(C)C1C2CCC(C2)C1N |TLB:10:9:8:5.6,THB:1:3:8:5.6|
Brc1csc(Cc2cnc[nH]2)c1
CC(N)Cc1c[nH]c2ccc3OCCCc3c12
C[C@H](N)Cc1c[nH]c2ccc3OCCCc3c12
C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1NC(C)=O
Oc1cc2OCC3NCc4ccccc4C3c2cc1O
COc1cc2NCC3C(CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29|
COc1cc2OCC3C(CN4CCN(C\C=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |w:7.6,8.8,c:29|
COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)NCC(C)(C)N)Cc2cc1OC
COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3ccccc3F)Cc2cc1OC
COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3cccc(c3)C(=O)NCCN(C)C)Cc2cc1OC
COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3ccco3)Cc2cc1OC
COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3ccccc3C(F)(F)F)Cc2cc1OC
COc1cc2CCN(Cc3cnc(N)n4nc(nc34)-c3ccco3)Cc2cc1OC
COc1cccc(c1)-c1cc2c(CN3CCc4cc(OC)c(OC)cc4C3)ccc(OC)c2o1
COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)N3CCC(CC3)N3CCCC3)Cc2cc1OC
COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3ccccc3)Cc2cc1OC
COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)NCCN(C)C)Cc2cc1OC
COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)NC3CN4CCC3CC4)Cc2cc1OC |w:23.24,TEB:22:23:26.27:30.29,(16.31,-37.39,;14.97,-38.15,;13.64,-37.38,;12.31,-38.14,;10.99,-37.37,;9.65,-38.14,;8.33,-37.37,;8.32,-35.83,;6.99,-35.06,;6.99,-33.52,;5.66,-32.75,;5.66,-31.2,;6.99,-30.43,;6.98,-28.9,;5.64,-28.13,;8.32,-31.2,;9.8,-30.71,;10.72,-31.96,;9.81,-33.22,;8.33,-32.75,;12.26,-31.95,;13.03,-33.28,;13.02,-30.61,;14.56,-30.63,;15.38,-31.75,;16.42,-30.44,;17.92,-30.34,;17.02,-29.25,;15.54,-29.36,;14.82,-27.89,;15.74,-28.65,;9.66,-35.05,;10.99,-35.83,;12.32,-35.07,;13.64,-35.84,;14.98,-35.08,;16.31,-35.85,)|
COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)-c3ccccn3)Cc2cc1OC
COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
OC[C@H]1O[C@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(F)cc1
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O |r|
C[C@@H]1[C@H]2CN(CCC3(CCCCC3)C(O)=O)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F |r|
C(C1CCCCC1)N1CCCC1
C(N1C2CCC1CC2)C12C3C4C5C3C1C5C24 |(-5.61,-3.69,;-7.14,-3.71,;-8.06,-2.48,;-9.52,-2.97,;-9.5,-4.51,;-8.03,-4.97,;-7.91,-3.48,;-9.07,-3.48,;-4.82,-5,;-4.25,-5.46,;-4.26,-7.4,;-2.32,-7.27,;-2.32,-5.32,;-2.89,-4.88,;-2.89,-6.83,;-4.82,-6.96,)|
CC1CNC(N1)=Nc1c(Cl)cccc1Cl |w:6.7|
CC1CCC(N1)=Nc1ccc(I)cc1Cl |w:6.7|
Clc1ccccc1N=C1CCCN1 |w:7.7|
CC1CCC(N1)=Nc1ccccc1Cl |w:6.7|
CC1COC(N1)=NC(C1CC1)C1CC1 |w:6.7|
OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccccn1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccc1 |TLB:3:2:12:11.7,4:5:12:11.7,10:11:12:2.5,8:7:12:2.5,THB:13:12:11.7:2.5|
COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC |TLB:8:19:10.11:17,13:15:10.11:17,THB:9:10:19.15:17,18:19:9.12:7,10:9:19.15:7,12:11:19.15:17,16:15:9.12:7,11:12:19.15:7,6:7:9.12:19.15|
OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc2OCOc2c1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16|
COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1OC |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17|
COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1 |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16|
COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1 |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17|
COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:11:22:13.14:20,16:18:13.14:20,THB:12:13:22.18:20,21:22:12.15:10,13:12:22.18:10,15:14:22.18:20,19:18:12.15:10,14:15:22.18:10,9:10:12.15:22.18|
COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1 |TLB:8:19:10.11:17,13:15:10.11:17,THB:9:10:19.15:17,18:19:9.12:7,10:9:19.15:7,12:11:19.15:17,16:15:9.12:7,11:12:19.15:7,6:7:9.12:19.15|
COc1cccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)c1 |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16|
COc1ccccc1CN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17|
COc1cc2oc(C(=O)N(CCCN3CCCCC3)c3ccccc3)c(C)c2cc1OC
Cc1c(oc2ccccc12)C(=O)N(CCCN1CCCCC1)c1ccccc1
Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
O=c1c(CCN2CCc3oc4ccccc4c3C2)c(Cc2ccccc2)nc2ccccn12
Cc1nc2ccc(I)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccc(Cl)cc3c2C1
Cc1nc2ccccn2c(=O)c1CCN1CCc2sc3ccccc3c2C1
Cc1nc2c(O)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
Cc1nc2ccc(Br)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
Cc1cc(C)n2c(c1)nc(C)c(CCN1CCc3oc4ccccc4c3C1)c2=O
Cc1nc2c(Cl)cc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3c(Cl)cccc3c2C1
Cc1nc2ccc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
Cc1nc2c(Cl)cc(cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1)C(F)(F)F
Cc1ccc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2c1
COc1cccn2c1nc(C)c(CCN1CCc3oc4ccccc4c3C1)c2=O
Cc1ccn2c(c1)nc(C)c(CCN1CCc3oc4ccccc4c3C1)c2=O
Cc1nc2ccccn2c(=O)c1CCCN1CCc2oc3ccccc3c2C1
Cc1nc2c(C)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
COc1cc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2cc1OC
Cc1nc2cccc(C)n2c(=O)c1CCN1CCc2oc3ccccc3c2C1
CN(CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)CC([O-])=O
CNCC1CC2N(O1)c1ccccc1Cc1ccccc21
CN(C)CCC1CC2N(O1)c1ccccc1Cc1ccccc21
CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccc(F)cc21
CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21
CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccccc21
CN(C)CC1CC2N(O1)c1cc(C)ccc1Cc1ccccc21
C[C@H]1CC[C@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCOCC1
C1CN=C(N1)C1COc2c(O1)cccc2-c1ccccc1 |c:2|
CC(Oc1ccccc1\C=N\OCc1ccccc1)C1=NCCN1 |t:21|
C1CN=C(N1)C(Oc1ccccc1-c1ccccc1)c1ccccc1 |c:2|
CC(Oc1ccccc1C1CCCC1)C1=NCCN1 |t:16|
CC(Oc1ccccc1C1CCCCC1)C1=NCCN1 |t:17|
CCO\N=C\c1ccccc1OC(C)C1=NCCN1 |t:15|
CO\N=C\c1ccccc1OC(C)C1=NCCN1 |t:14|
C1CN=C(N1)C1COc2cccc(-c3ccccc3)c2O1 |c:2|
CC(Oc1ccccc1CN=O)C1=NCCN1 |t:13|
COC1(COc2cccc(-c3ccccc3)c2O1)C1=NCCN1 |t:21|
C1CN=C(N1)C1COc2ccc(cc2O1)-c1ccccc1 |c:2|
C1CN=C(N1)C1COc2cc(ccc2O1)-c1ccccc1 |c:2|
C1CN=C(N1)C(Oc1ccccc1)c1ccccc1 |c:2|
CC(Oc1ccccc1)C1=NCCN1 |t:10|
Cc1ccccc1COC1=NCCN1 |t:10|
CCCc1ccccc1C(C)OC1=NCCN1 |t:13|
CCCc1ccccc1COC1=NCCN1 |t:12|
CC(OC1=NCCN1)c1ccccc1C1CC1 |t:3|
CC(OC1=NCCN1)c1ccccc1CC=C |t:3|
CC(OC1=NCCN1)c1ccccc1C |t:3|
CC(OC1=NCCN1)c1ccccc1 |t:3|
CCC[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|
CC[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|
C[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|
CCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|
CCC[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|
CCCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|
C1CC11c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|
CO[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|
CC(C)O[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|
C[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|
CC[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|
CC1(C)[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|
CO[C@@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1 |r|
C[C@]12C[C@]1(Cc1ccccc21)c1cnc[nH]1 |r|
CCC1(Cc2ccc(F)cc2C1)c1cnc[nH]1
C1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|
C[C@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 |r,t:18|
C[C@@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 |r,t:18|
C[C@@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 |r,t:16|
C[C@H](Oc1ccccc1-c1ccsc1)C1=NCCN1 |r,t:16|
CCc1ccccc1OC(C)C1=NCCN1 |t:12|
CC(Oc1c(CC=C)cccc1CC=C)C1=NCCN1 |t:16|
CC(Oc1c(Cl)cccc1Cl)C1=NCCN1 |t:12|
CCOc1ccccc1OC(C)C1=NCCN1 |t:13|
CC(Oc1ccccc1C(F)(F)F)C1=NCCN1 |t:14|
CC(Oc1ccccc1C(C)=C)C1=NCCN1 |t:13|
COc1ccccc1OC(C)C1=NCCN1 |t:12|
CC(Oc1ccccc1S(C)(=O)=O)C1=NCCN1 |t:14|
CC(C)c1ccccc1OC(C)C1=NCCN1 |t:13|
CC(Oc1ccccc1C(C)=O)C1=NCCN1 |t:13|
CC(Oc1c(cccc1-c1ccccc1)-c1ccccc1)C1=NCCN1 |t:24|
CC(Oc1ccccc1C=O)C1=NCCN1 |t:12|
CCc1cccc(CC)c1OC(C)C1=NCCN1 |t:14|
CC(Oc1c(C)cccc1C)C1=NCCN1 |t:12|
CC(C)Oc1ccccc1OC(C)C1=NCCN1 |t:14|
CC(Oc1ccccc1Cl)C1=NCCN1 |t:11|
CC(Oc1ccccc1OC=C)C1=NCCN1 |t:13|
C1CN=C(N1)[C@@H]1CO[C@@H](CO1)c1ccccc1 |r,c:2|
C1CN=C(N1)[C@@H]1CO[C@H](CO1)c1ccccc1 |r,c:2|
C1CN=C(N1)[C@H]1CO[C@@H](CO1)c1ccccc1 |r,c:2|
C1CN=C(N1)[C@@H]1COC[C@@H](O1)c1ccccc1 |r,c:2|
C1CN=C(N1)[C@@H]1COC[C@H](O1)c1ccccc1 |r,c:2|
C1CN=C(N1)C1COCC(O1)(c1ccccc1)c1ccccc1 |c:2|
C1CN=C(N1)C1COC(CO1)(c1ccccc1)c1ccccc1 |c:2|
CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
C(CN1CCN(CC1)c1ncccn1)Cc1nc2ccccc2s1
Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cc3ccccc3s2)CC1
CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1
NC(=O)c1ccccc1OCCCN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
NC[C@H]1C[C@@H]1c1cc(F)ccc1OCC=C
[H][C@@]12C[C@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6|
[H][C@]12C[C@@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6|
COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O |r|
Brc1cccc(Cn2ccnc2)c1
C(Nc1ccccc1-c1cccnc1)c1ccncc1
NCCSc1nc2ccccc2o1
Cc1ccccc1NCc1ccncc1
Cc1ccccc1NCc1cnc[nH]1
NCCc1ccccc1-c1cccc(c1)C#N
CN1CCN(CC1)c1ccc(N)cc1
CC(C)NCc1nccn1Cc1ccccc1C
O=C(CCC1CCCC1)N1CCSC11CCNCC1
NCC(=O)Nc1ccccc1Oc1ccccc1
OC(Cn1ccnc1)c1ccc(Cl)cc1Cl
COc1ccccc1OCC1CNCCO1
NCCCN(C(=O)c1ccccc1)c1ccccc1
CCNCC(=O)N1CCn2cccc2C1c1cccc(Cl)c1
C(NCc1cccnc1)c1c[nH]c(n1)-c1ccccc1
COc1ccc(cc1)C1NCCCn2cccc12
CN1CCN(CC1)c2ccccc2N
CN1CCN(CC1)c2cccc(c2)N
Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
COc1cc2C(CN(C)C3Cc4cc5OCOc5cc4-c(c1OC)c23)c1ccccc1
COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
C=CCN(CCc1c[nH]c2ccccc12)CC=C
Clc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Brc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Fc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Cc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
NCC1CC1c1cc(F)c(F)cc1OCC=C
C=CCc1ccccc1NCC1=NCCN1 |t:12|
C(Nc1ccccc1-c1ccccc1)C1=NCCN1 |t:16|
Cc1ccccc1NCC1=NCCN1 |t:10|
CCCc1ccccc1NCC1=NCCN1 |t:12|
Clc1ccccc1NCC1=NCCN1 |t:10|
[H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|
[H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r|
C1CN=C(O1)N1CCOCC1 |c:2|
C1CC1C(NC1=NCCO1)C1CC1 |t:6|
CCC[C@H]1CCCCC1NC1=NCCO1 |t:11|
C1COC(NC2CCCc3ccccc23)=NC1 |c:16|
C1CN=C(NC2CCCCCC2)O1 |t:2|
C1CN=C(NC2CCCc3ccccc23)O1 |t:2|
CC1CN=C(Nc2ccc3nccnc3c2Br)N1 |t:3|
Clc1c(NC2=NCCN2)ccc2nccnc12 |t:4|
Brc1c(NC2=NCCN2)ccc2NCCNc12 |t:4|
Brc1c(NC2=NCCS2)ccc2nccnc12 |t:4|
Brc1c(NC2=NCCO2)ccc2nccnc12 |t:4|
C1CN=C(Nc2ccc3nccnc3c2)N1 |t:2|
Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1 |t:9|
[H][C@]12CCCC[C@@]1([H])N=C(Nc1ccc3nccnc3c1Br)N2 |t:9|
C1Oc2cc3CCNCc3cc2O1
COc1ccc2n(cc(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1ccccc1Br
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1 |r|
CNc1nc(nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)OC)C#Cc1ccc(Cl)s1 |r|
CCCNc1nc(nc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC)C#Cc1ccc(Cl)s1 |r|