1767 SMILES Strings for Sigma intracellular receptor 2

Compound Name
SMILES String
O=c1oc2ccccc2n1CCN1CCN(CC1)C1CCCCC1
O=c1oc2ccccc2n1CCCN1CCN(CC1)C1CCCCC1
O=c1oc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1
O=c1oc2ccccc2n1CCCCCN1CCN(CC1)C1CCCCC1
O=c1oc2ccccc2n1CCCCCCN1CCN(CC1)C1CCCCC1
O=c1sc2ccccc2n1CCN1CCN(CC1)C1CCCCC1
O=c1sc2ccccc2n1CCCN1CCN(CC1)C1CCCCC1
O=c1sc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1
O=c1sc2ccccc2n1CCCCCCN1CCN(CC1)C1CCCCC1
CCCCCCCc1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)c(=O)sc2c1
CCCCCCC(=O)c1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)c(=O)sc2c1
O=c1oc2ccccc2n1CCCCN1CCCCC1
O=c1oc2ccccc2n1CCCCCCN1CCN(Cc2ccccc2)CC1
CCC(=O)c1ccc2oc(=O)n(CCN3CCCCCC3)c2c1
CCCc1ccc2oc(=O)n(CCN3CCCCCC3)c2c1
O=C(c1ccccc1)c1ccc2n(CCN3CCCCCC3)c(=O)oc2c1
CC(=O)c1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3)c(=O)oc2c1
O=c1sc2cc(Cc3ccccc3)ccc2n1CCN1CCCCCC1
C(CCN1CCN(CC1)C1CCCCC1)CSc1nc2ccccc2o1
Brc1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)c(=O)oc2c1
CC(=O)c1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)c(=O)oc2c1
CCc1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)c(=O)oc2c1
O=C1CCN(CCCCn2c3ccccc3oc2=O)CC1
S=c1sc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1
O=c1oc2ccccc2n1CCCCN1CCN(Cc2ccccc2)CC1
CN1CCN(CCCCn2c3ccccc3oc2=O)CC1
O=c1oc2ccccc2n1CCCCN1CCN(CC2CC2)CC1
Clc1ccc(cc1)C1=CCN(CCCCn2c3ccccc3oc2=O)CC1 |t:8|
O=c1oc2ccccc2n1CCCCN1CCN(CCc2ccccc2)CC1
[O-][N+](=O)c1ccc(cc1)N1CCN(CCCCn2c3ccccc3oc2=O)CC1
O=c1oc2ccccc2n1CCCCN1CCN(CC1)c1ccccn1
Clc1ccc(cc1)N1CCN(CCCCn2c3ccccc3oc2=O)CC1
Fc1ccc(cc1)N1CCN(CCCCn2c3ccccc3oc2=O)CC1
O=c1oc2ccccc2n1CCCCN1CCN(CC2CCCCC2)CC1
O=c1oc2ccccc2n1CCCCN1CCC(CC1)c1ccccc1
CCc1ccc2oc(=O)n(CCCCN3CCN(CC3)C3CCCCC3)c2c1
Clc1ccc(cc1)C1=CCN(CCn2c3ccccc3oc2=O)CC1 |t:8|
O=c1oc2ccccc2n1CCN1CCN(CCc2ccccc2)CC1
O=c1oc2ccccc2n1CCN1CCN(CC1)c1ccccn1
Clc1ccc(cc1)N1CCN(CCn2c3ccccc3oc2=O)CC1
O=c1oc2ccccc2n1CCN1CCN(CC2CCCCC2)CC1
O=c1oc2ccccc2n1CCN1CCC(CC1)c1ccccc1
CC(=O)c1ccc2oc(=O)n(CCCCN3CCN(CC3)C3CCCCC3)c2c1
[O-][N+](=O)c1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)c(=O)oc2c1
CC(=O)Nc1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)c(=O)oc2c1
COc1cc2CCN(CCCCn3c4ccccc4oc3=O)Cc2cc1OC
Fc1ccc(cc1)N1CCN(CCCCn2c3ccccc3sc2=S)CC1
COc1cc2CCN(CCCCn3c4ccccc4sc3=S)Cc2cc1OC
Fc1ccc(cc1)N1CCN(CCCCn2c3ccccc3n(-c3ccc(F)cc3)c2=O)CC1
Fc1ccc(cc1)-n1c2ccccc2n(CCCCN2CCN(CC2)C2CCCCC2)c1=O
Fc1ccc(cc1)N1CCN(CCCCn2ccc3ccccc23)CC1
C(CCn1ccc2ccccc12)CN1CCN(CC1)C1CCCCC1
Fc1ccc(cc1)-c1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)c(=O)oc2c1
Fc1ccc(cc1)-c1cn(CCCCN2CCN(CC2)C2CCCCC2)c2ccccc12
Fc1ccc(cc1)N1CCN(CCCCn2cc(-c3ccc(F)cc3)c3ccccc23)CC1
CC(=O)c1ccc2[nH]c(=O)n(CCCCN3CCN(CC3)c3ccc(F)cc3)c2c1
COc1cc2CCN(CCCCn3ccc4ccccc34)Cc2cc1OC
COc1cc2CCN(CCCCn3cc(-c4ccc(F)cc4)c4ccccc34)Cc2cc1OC
Fc1ccccc1N1CCN(CCCCn2c3ccccc3oc2=O)CC1
Brc1ccc2oc(=O)n(CCCCN3CCN(CC3)C3CCCCC3)c2c1
Fc1ccc(cc1)-c1ccc2[nH]c(=O)n(CCCCN3CCN(CC3)C3CCCCC3)c2c1
S=c1oc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1
Cn1c2ccccc2n(CCCCN2CCN(CC2)C2CCCCC2)c1=O
Cn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O
CC(=O)c1ccc2n(CCCCN3CCC(=CC3)c3ccc(F)cc3)c(=O)oc2c1 |c:15|
CC(=O)c1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3[N+]([O-])=O)c(=O)oc2c1
Cn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2N)c1=O
CC(CCCn1c2ccc(cc2oc1=O)C(C)=O)N1CCN(CC1)c1ccc(F)cc1
Cn1c2ccc(cc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O)[N+]([O-])=O
Cn1c2ccc(N)cc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O
Cn1c2ccc(cc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O)N=C=S
Cn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2N=C=S)c1=O
CC(=O)c1ccc(NCCCCN2CCN(CC2)c2ccc(F)cc2)c(O)c1
Fc1ccc(N2CCN(CCCCn3c4ccccc4oc3=O)CC2)c(F)c1
CC(=O)c1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3)c(=S)oc2c1
CC(=O)c1ccc2N(CCCCN3CCN(CC3)c3ccc(F)cc3)C(=O)COc2c1
CC(=O)c1ccc2n(CC3CCCC(C3)N3CCN(CC3)c3ccc(F)cc3)c(=O)oc2c1
C[C@H]1CN(C[C@@H](C)N1CCCCn1c2ccc(cc2oc1=O)C(C)=O)c1ccc(F)cc1 |r|
CC(=O)c1ccc2n(CCCCN3CCCN(CC3)c3ccc(F)cc3)c(=O)oc2c1
Fc1ccc(cc1)N1CCN(CCCCn2c3ccccc3[nH]c2=O)CC1
Nc1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3)c(=O)oc2c1
CC(=O)Nc1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3)c(=O)oc2c1
CC(O)c1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3)c(=O)oc2c1
FC(F)(F)c1ccc(cc1)N1CCN(CCCCn2c3ccccc3oc2=O)CC1
O=c1oc2ccccc2n1CCCCN1CCN(CC1)c1ccccc1
Cc1ccc(cc1)N1CCN(CCCCn2c3ccccc3oc2=O)CC1
CC(F)c1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3)c(=O)oc2c1
CCC(=O)c1ccc2n(CCN3CCN(CC3)C3CCCCC3)c(=O)sc2c1
CCCc1ccc2n(CCN3CCN(CC3)C3CCCCC3)c(=O)sc2c1
CCC(=O)c1ccc2n(CCN3CCN(CC3)C3CCCCC3)c(=O)oc2c1
CCCc1ccc2n(CCN3CCN(CC3)C3CCCCC3)c(=O)oc2c1
CC(CCCn1c2ccccc2sc1=O)N1CCN(CC1)C1CCCCC1
CC(CCCn1c2ccccc2sc1=S)N1CCN(CC1)C1CCCCC1
CC(CCCN1C(=O)CSc2ccccc12)N1CCN(CC1)C1CCCCC1
CC(CCCn1c2ccc(F)cc2sc1=O)N1CCN(CC1)C1CCCCC1
Fc1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)c(=O)sc2c1
Fc1ccc2n(CCCCN3CCN(CC3)C3CCCCC3)c(=S)sc2c1
Fc1ccc2nc(SCCCCN3CCN(CC3)C3CCCCC3)sc2c1
Fc1ccc2N(CCCCN3CCN(CC3)C3CCCCC3)C(=O)CSc2c1
CCCc1ccc(cc1)C(=O)NCCCN(C)Cc1ccccc1
CCCCc1ccc(cc1)C(=O)NCCCN(C)Cc1ccccc1
CN(CCCNC(=O)c1ccc(cc1)C(F)(F)F)Cc1ccccc1
CN(CCCNC(=O)c1ccc(F)cc1)Cc1ccccc1
CN(CCCNC(=O)c1ccccc1Cl)Cc1ccccc1
CN(CCCNC(=O)c1cccc(Cl)c1)Cc1ccccc1
CNc1ccccc1CNCCCNC(=O)c1ccc(Cl)cc1
CN(CCCNC(=O)c1ccc(Cl)cc1)Cc1ccccc1
CN(CCCCNC(=O)c1ccc(Cl)cc1)Cc1ccccc1
CN(CCCNC(=O)c1ccc(Cl)cc1)CCc1ccccc1
CN(CCCNC(=O)c1ccccc1Br)Cc1ccccc1
CN(CCCNC(=O)c1cccc(Br)c1)Cc1ccccc1
CN(CCCNC(=O)c1ccc(Br)cc1)Cc1ccccc1
CN(CCCNC(=O)c1cccc(Cl)c1Cl)Cc1ccccc1
CN(CCCNC(=O)c1ccc(Cl)cc1Cl)Cc1ccccc1
CN(CCCNC(=O)c1ccc(Cl)c(Cl)c1)Cc1ccccc1
CN(CCCNC(=O)c1cc(Cl)cc(Cl)c1)Cc1ccccc1
COc1cccc(c1)C(=O)NCCCN(C)Cc1ccccc1
COc1ccc(cc1)C(=O)NCCCN(C)Cc1ccccc1
CN(CCCNC(=O)c1ccc(cc1)C#N)Cc1ccccc1
CN(CCCNC(=O)c1ccc(cc1)[N+]([O-])=O)Cc1ccccc1
CN(CCNC(=O)c1ccc(Cl)cc1Cl)Cc1ccccc1
CN(CCNC(=O)c1ccc(cc1)C#N)Cc1ccccc1
CN(CCNC(=O)c1ccc(cc1)[N+]([O-])=O)Cc1ccccc1
O=c1sc2ccccc2n1CCCCCN1CCN(CC1)C1CCCCC1
CC(=O)c1ccc2oc(=O)n(CCCCN3CCN(CC3)c3ccc(F)cc3)c2c1
Fc1ccc(cc1)-c1ccc2oc(=O)n(CCCCN3CCN(CC3)C3CCCCC3)c2c1
O=C(c1ccccc1)c1ccc2n(CCN3CCCCCC3)c(=O)sc2c1
COc1cc(CC[C@@H](C)N2Cc3ccc(Cl)cc3C2)ccc1O |r|
COc1cc(CC[C@@H](C)N2Cc3cc(Cl)c(Cl)cc3C2)ccc1O |r|
C[C@H](CCc1ccc(Cl)c(Cl)c1)N1Cc2ccc(cc2C1)C(F)(F)F |r|
C[C@H](CCc1ccc(Cl)c(Cl)c1)N1Cc2cc(Cl)c(Cl)cc2C1 |r|
COc1cc(CC[C@@H](C)N2Cc3cc(OC)c(OC)cc3C2)ccc1O |r|
COc1cc(CC[C@@H](C)N2Cc3cccc(F)c3C2)ccc1O |r|
C[C@H](CCc1ccc(Cl)c(Cl)c1)N1Cc2cccc(F)c2C1 |r|
C[C@H](CCc1ccc(Cl)c(Cl)c1)N1Cc2cc3OCOc3cc2C1 |r|
COc1cc2CN(Cc2cc1OC)[C@H](C)CCc1ccc(Cl)c(Cl)c1 |r|
C[C@H](CCc1ccc(Cl)c(Cl)c1)N1Cc2cc3ccccc3cc2C1 |r|
CC(CCc1ccc(Cl)c(Cl)c1)N1Cc2ccc3ccccc3c2C1
COc1cc2CN(Cc2cc1OC)[C@@H](C)CCc1ccc(Cl)c(Cl)c1 |r|
C[C@H](CCc1ccc(F)cc1)N1Cc2cccc(F)c2C1 |r|
C[C@H](CCc1ccc(F)cc1)N1Cc2ccc(F)cc2C1 |r|
C[C@H](CCc1ccc(F)cc1)N1Cc2cc3OCOc3cc2C1 |r|
C[C@H](CCc1ccc(O)c(OC(F)(F)F)c1)N1Cc2cc3OCOc3cc2C1 |r|
CC(C)Oc1cc(CC[C@@H](C)N2Cc3cc4OCOc4cc3C2)ccc1O |r|
CC(C)Oc1cc(CC[C@@H](C)N2Cc3cccc(F)c3C2)ccc1O |r|
CC(C)Oc1cc(CCC(C)(C)N2Cc3ccc(F)cc3C2)ccc1O
CC(C)Oc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O
CC(C)Oc1cc(CCC(C)(C)N2Cc3cc4OCOc4cc3C2)ccc1O
COc1cc(CC[C@@H](C)N2Cc3ccc(F)cc3C2)ccc1OCCO |r|
C[C@H](CCc1ccc(O)c(OC(F)(F)F)c1)N1Cc2ccc(F)cc2C1 |r|
CC(C)(CCc1ccc(F)cc1)N1Cc2cccc(F)c2C1
COc1cc2CN(Cc2cc1OC)C(C)(C)CCc1ccc(F)cc1
CC(C)(CCc1ccc(F)cc1)N1Cc2ccc(F)cc2C1
CC(C)(CCc1ccc(F)cc1)N1Cc2cc3OCOc3cc2C1
CC(C)Oc1cc(CC[C@@H](C)N2Cc3ccc(F)cc3C2)ccc1O |r|
CC(C)Oc1ccc(CC[C@@H](C)N2Cc3ccc(F)cc3C2)cc1OC(C)C |r|
CC(C)Oc1ccc(CC[C@@H](C)N2Cc3cccc(F)c3C2)cc1OC(C)C |r|
CC(C)Oc1ccc(CC[C@@H](C)N2Cc3cc4OCOc4cc3C2)cc1OC(C)C |r|
C[C@H](CCc1ccc(OC(=O)N(C)C)c(OC(F)(F)F)c1)N1Cc2cccc(F)c2C1 |r|
CC(C)Oc1ccc(CCC(C)(C)N2Cc3ccc(F)cc3C2)cc1OC(C)C
C[C@H](CCc1ccc(OC(=O)N(C)C)c(OC(F)(F)F)c1)N1Cc2ccc(F)cc2C1 |r|
COc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1OCCO
COc1cc(CCC(C)(C)N2Cc3ccc(F)cc3C2)ccc1OCCO
COC[C@H](CCc1ccc(Cl)c(Cl)c1)N1Cc2ccc(F)cc2C1 |r|
COc1cc(CCC(C)(C)N2Cc3cc4OCOc4cc3C2)ccc1OCCO
COc1cc2CN(Cc2cc1OC)C(C)(C)CCc1ccc(OCCO)c(OC)c1
COc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1OC(=O)N(C)C
COc1cc(CCC(C)(C)N2Cc3ccc(F)cc3C2)ccc1OC(=O)N(C)C
COc1cc(CC[C@@H](C)N2Cc3cccc(F)c3C2)ccc1OCCO |r|
COc1cc(CC[C@@H](C)N2Cc3cc4OCOc4cc3C2)ccc1OCCO |r|
COc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O
CC(C)(CCc1ccc(O)c(OC(F)(F)F)c1)N1Cc2cccc(F)c2C1
CC(C)(CCc1ccc(O)c(OC(F)(F)F)c1)N1Cc2c(C1)c(F)ccc2F
CC(C)(CCc1ccc(O)c(OC(F)(F)F)c1)N1Cc2cccc(C(O)=O)c2C1
CN(C)C(=O)c1cccc2CN(Cc12)C(C)(C)CCc1ccc(O)c(OC(F)(F)F)c1
CC(C)(C)Oc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O
CN(C)C(=O)c1cccc2CN(Cc12)C(C)(C)CCc1ccc(O)c(OC(C)(C)C)c1
C[C@H](CCc1ccc(O)c(OC(C)(C)C)c1)N1Cc2c(C1)c(F)ccc2F |r|
C[C@H](CCc1ccc(O)c(OC(C)(C)C)c1)N1Cc2cccc(F)c2C1 |r|
CC(C)(CCc1ccc(O)c(OC(F)(F)F)c1)N1Cc2ccc(cc2C1)S(C)(=O)=O
CC(C)(C)Oc1cc(CCC(C)(C)N2Cc3ccc(cc3C2)S(C)(=O)=O)ccc1O
C[C@H](CCc1ccc(O)c(OC(C)(C)C)c1)N1Cc2ccc(cc2C1)S(C)(=O)=O |r|
COc1cc(CCC(C)(C)N2Cc3cccc(c3C2)S(C)(=O)=O)ccc1O
COc1cc(CC[C@@H](C)N2Cc3cccc(c3C2)S(C)(=O)=O)ccc1O |r|
CC(C)(C)Oc1cc(CCC(C)(C)N2Cc3cccc(c3C2)S(C)(=O)=O)ccc1O
CC(C)(CCc1ccc(O)c(OC(F)(F)F)c1)N1Cc2cccc(c2C1)S(C)(=O)=O
COc1cc(CC[C@@H](C)N2Cc3ccc(cc3C2)S(C)(=O)=O)ccc1O |r|
CC(C)Oc1cc(CC[C@@H](C)N2Cc3ccc(cc3C2)S(C)(=O)=O)ccc1O |r|
CC(C)Oc1cc(CCC(C)(C)N2Cc3ccc(cc3C2)S(C)(=O)=O)ccc1O
C[C@H](CCc1ccc(OCCO)c(OC(F)(F)F)c1)N1Cc2ccc(F)cc2C1 |r|
CC(C)(C)Oc1cc(CCC(C)(C)N2Cc3c(C2)c(F)ccc3F)ccc1O
CC(C)(C)Oc1cc(CCC(C)(C)N2Cc3cccc(C(O)=O)c3C2)ccc1O
COc1cc(CCC(C)(C)N2Cc3cccc(C(=O)N4CCNCC4)c3C2)ccc1O
COc1cc(CCC(C)(C)N2Cc3cccc(C(=O)NCCN(C)C)c3C2)ccc1O
COc1cc(CCC(C)(C)N2Cc3cccc(C(=O)NCCO)c3C2)ccc1O
COc1cc(CCC(C)(C)N2Cc3cccc(C(=O)N4CCOCC4)c3C2)ccc1O
COc1cc(CCC(C)(C)N2Cc3cccc(C(=O)N(C)CCN(C)C)c3C2)ccc1O
COc1cc(CCC(C)(C)N2Cc3cccc(C(=O)N4CCN(C)CC4)c3C2)ccc1O
COc1cc(CCC(C)(C)N2Cc3cccc(C(=O)N4CCN(CC4)C(C)=O)c3C2)ccc1O
COCCNC(=O)c1cccc2CN(Cc12)C(C)(C)CCc1ccc(O)c(OC)c1
COc1cc(CCC(C)(C)N2Cc3cccc(C(=O)N(C)CCO)c3C2)ccc1O
COCCN(C)C(=O)c1cccc2CN(Cc12)C(C)(C)CCc1ccc(O)c(OC)c1
CC(C)COc1cc(CCC(C)(C)N2Cc3ccc(cc3C2)S(C)(=O)=O)ccc1O
CC(C)COc1cc(CCC(C)(C)N2Cc3cccc(F)c3C2)ccc1O
CC(C)(C)Oc1cc(CCC(C)(C)n2cc3ccc(cc3c2)S(C)(=O)=O)ccc1O
CC(=O)Oc1ccc(CCC(C)(C)N2Cc3ccc(cc3C2)S(C)(=O)=O)cc1OC(C)(C)C
COc1cccc(CCC(C)(C)N2Cc3cccc(C(=O)N4CCNCC4)c3C2)c1
COc1ccc(CCC(C)(C)N2Cc3cccc(C(=O)N4CCNCC4)c3C2)cc1
COc1ccc(CCC(C)(C)N2Cc3cccc(C(=O)N4CCNCC4)c3C2)cc1OC
COc1ccc(CCC(C)(C)N2Cc3ccc(cc3C2)S(C)(=O)=O)cc1OC
COc1ccc(CCC(C)(C)N2Cc3ccc(cc3C2)S(C)(=O)=O)cc1
COc1cccc(CCC(C)(C)N2Cc3ccc(cc3C2)S(C)(=O)=O)c1
COc1cccc(CCC(C)(C)n2cc3ccc(cc3c2)S(C)(=O)=O)c1
CC(C)(CCc1ccc(Cl)cc1)N1Cc2cccc(C(=O)N3CCNCC3)c2C1
CC(C)(CCc1ccc(Cl)c(Cl)c1)N1Cc2cccc(C(=O)N3CCNCC3)c2C1
COc1cc(CCC(C)(C)N2Cc3cccc(N4CCNCC4)c3C2)ccc1O
CC(C)(CCc1ccc(Cl)c(Cl)c1)N1Cc2ccc(cc2C1)N1CCNCC1
CC(C)(CCc1ccc(Cl)c(Cl)c1)N1Cc2cccc(N3CCNCC3)c2C1
CC(C)(C#Cc1ccc2[nH]ncc2c1)N1Cc2ccc(cc2C1)S(C)(=O)=O
COc1cc(CCC(C)(C)N2Cc3ccc(cc3C2)N2CCNCC2)ccc1O
C[C@H](CCc1ccc(Cl)c(Cl)c1)N1Cc2ccc3ccccc3c2C1 |r|
C(CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
O=S(CCN1CCN(CCCc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(SCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(c1ccc(F)cc1)S(=O)CCN1CCN(CCCc2ccccc2)CC1
OC(CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
OC(CN1CCN(CCS(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
CC(O)CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
CC(O)CN1CCN(CCS(=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
CC(O)CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1
CC(O)CN1CCN(CCS(=O)C(c2ccccc2)c2ccccc2)CC1
OC(CN1CCN(CCSC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
OC(CN1CCN(CCS(=O)C(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
O=C(CSC(c1ccccc1)c1ccccc1)N1CCN(CCCc2ccccc2)CC1
O=C(CS(=O)C(c1ccccc1)c1ccccc1)N1CCN(CCCc2ccccc2)CC1
C(N1Cc2ccc(cc2C1)N1CCOCC1)c1ccccc1
COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)Cc2c1
Clc1cc(Cl)cc(CN2Cc3ccc(cc3C2)N2CCOCC2)c1
CN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1
CCCN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1
O=C(OCc1ccccc1)N1Cc2ccc(cc2C1)N1CCN(CC1)C1CCCC1
CC(=C)CN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1
CCOC(=O)CCN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1
CN1CCN(CC1)c1ccc2CN(Cc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
Clc1cc(Cl)cc(c1)S(=O)(=O)N1Cc2ccc(cc2C1)N1CCN(CC=C)CC1
C(N1CCc2cc(ccc2C1)N1CCOCC1)c1ccccc1
O=C(OCc1ccccc1)N1CCc2ccc(cc2C1)N1CCN(CC1)C1CCC1
COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)CCc2c1
O=C(OCc1ccccc1)N1CCc2ccc(cc2C1)N1CCN(CC1)C1CCCC1
CN1CCN(CC1)c1ccc2CN(CCc2c1)C(=O)OCc1ccccc1
O=C(OCc1ccccc1)N1CCc2ccc(cc2C1)N1CCN(CC1)C1CCCCC1
CC(=C)CN1CCN(CC1)c1ccc2CN(CCc2c1)C(=O)OCc1ccccc1
CC(=C)CN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
C=CCN1CCN(CC1)c1ccc2CN(CCc2c1)C(=O)OCc1ccccc1
CCOC(=O)CCN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
CN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
CN1CCN(CC1)c1ccc2CCN(Cc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
CCN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
Clc1cc(Cl)cc(c1)S(=O)(=O)N1CCc2ccc(cc2C1)N1CCN(CC=C)CC1
CCCN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
Clc1cc(Cl)cc(CN2CCc3ccc(cc3C2)N2CCOCC2)c1
CN1CCN(CC1)c1cccc2CCN(Cc12)C(=O)OCc1ccccc1
O=C(OCc1ccccc1)N1CCc2cccc(N3CCN(CC3)C3CCCC3)c2C1
CCOC(=O)CCN1CCN(CC1)c1cccc2CCN(Cc12)C(=O)OCc1ccccc1
C(N1CCCc2cc(ccc2C1)N1CCOCC1)c1ccccc1
Clc1cc(Cl)cc(CN2CCCc3ccc(cc3C2)N2CCOCC2)c1
COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)CCCc2c1
CN1CCN(CC1)c1ccc2CCCN(Cc2c1)C(=O)OCc1ccccc1
CN1CCN(CC1)c1ccc2CN(CCCc2c1)C(=O)OCc1ccccc1
CCN1CCN(CC1)c1ccc2CCCN(Cc2c1)C(=O)OCc1ccccc1
CC(=C)CN1CCN(CC1)c1ccc2CN(CCCc2c1)C(=O)OCc1ccccc1
CCCN1CCN(CC1)c1ccc2CCCN(Cc2c1)C(=O)OCc1ccccc1
C=CCN1CCN(CC1)c1ccc2CN(CCCc2c1)C(=O)OCc1ccccc1
O=C(OCc1ccccc1)N1CCCc2ccc(cc2C1)N1CCN(CC1)C1CCCC1
CN1CCN(CC1)c1ccc2CCCN(Cc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
CC(=C)CN1CCN(CC1)c1ccc2CCCN(Cc2c1)C(=O)OCc1ccccc1
Clc1cc(Cl)cc(c1)S(=O)(=O)N1CCCc2ccc(cc2C1)N1CCN(CC=C)CC1
CCOC(=O)CCN1CCN(CC1)c1ccc2CCCN(Cc2c1)C(=O)OCc1ccccc1
CCC1(CC)CC(CCN2CC3CN(CC3C2)c2ccccc2)OC1=O
CCC1(CC)CC(CCN2CC3CN(CC3C2)c2ccncc2)OC1=O
O=C1OC(CCN2CC3CN(CC3C2)c2ccncc2)CC11CCCCC1
CCC1(CC)CC(CCN2CC3CN(CC3C2)c2ccccc2C(C)C)OC1=O
CC(C)c1ccccc1N1CC2CN(CCC3CC4(CCCCC4)C(=O)O3)CC2C1
Cc1cnccc1N1CC2CN(CCC3CC4(CCCCC4)C(=O)O3)CC2C1
Cc1cc(ccn1)N1CC2CN(CCC3CC4(CCCCC4)C(=O)O3)CC2C1
Cc1cc(cc(C)n1)N1CC2CN(CCC3CC4(CCCCC4)C(=O)O3)CC2C1
O=C1OC(CCN2CC3(C2)CN(C3)c2ccncc2)CC11CCCCC1
CCC1(CC)CC(CCN2CC3(C2)CN(C3)c2ccncc2)OC1=O
O=C1OC(CCN2CC3(C2)CN(C3)c2ccccc2)CC11CCCCC1
Cc1cnccc1N1CC2(CN(CCC3CC4(CCCCC4)C(=O)O3)C2)C1
Cc1cc(ccn1)N1CC2(CN(CCC3CC4(CCCCC4)C(=O)O3)C2)C1
Cc1cc(cc(C)n1)N1CC2(CN(CCC3CC4(CCCCC4)C(=O)O3)C2)C1
CCC1(CC)CC(CCN2CC3(C2)CN(C3)c2ccccc2)OC1=O
CCC1(CC)CC(CCN2CC3CN(CC3C2)c2ccccc2C#N)OC1=O
CCC1(CC)CC(CCN2CC3CN(CC3C2)c2cccc(c2)C#N)OC1=O
CCC1(CC)CC(CCN2CC3CN(CC3C2)c2ccc(cc2)C#N)OC1=O
CCC1(CC)CC(CCN2CC3CN(CC3C2)c2ccccc2OC)OC1=O
CCC1(CC)CC(CCN2CC3CN(CC3C2)c2cccc(OC)c2)OC1=O
CCC1(CC)CC(CCN2CC3CN(CC3C2)c2ccc(OC)cc2)OC1=O
CN[C@@]1(CCCC[C@@H]1NCCCN1CCCC1)c1ccccc1Cl
CN[C@]1(CCCC[C@@H]1NCCCN1CCCC1)c1ccccc1Cl
CN[C@@]1(CCCC[C@@H]1NCCCc1ccc(F)cc1)c1ccccc1Cl
CN[C@]1(CCCC[C@@H]1NCCCc1ccc(F)cc1)c1ccccc1Cl
CN[C@@]1(CCCC[C@@H]1NCCCc1ccccc1)c1ccccc1Cl
CN[C@]1(CCCC[C@@H]1NCCCc1ccccc1)c1ccccc1Cl
CN[C@@]1(CCCC[C@@H]1NCCCN1CCN(C)CC1)c1ccccc1Cl
CN[C@]1(CCCC[C@@H]1NCCCN1CCN(C)CC1)c1ccccc1Cl
Clc1ccc2[C@H]3C[C@@H](N(CC3)C(=O)OCc3ccccc3)c2c1 |r,TLB:22:21:10.8.9:6,11:8:4.21:6,THB:3:4:10.8.9:6|
O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]1c1cc(ccc21)N1CCOCC1 |r,TLB:20:21:12.10.11:14,1:10:21.16:14,THB:17:16:12.10.11:14|
[H][C@]12C[C@@]([H])(N(Cc3ccccc3)CC1)c1cc(ccc21)N1CCOCC1 |r,TLB:16:15:2:5.13.14,6:5:2:20.15,THB:19:20:2:5.13.14|
Clc1cc(Cl)cc(CN2CC[C@@H]3C[C@@H]2c2cc(ccc32)N2CCOCC2)c1 |r,TLB:18:19:10.8.9:12,7:8:19.14:12,THB:15:14:10.8.9:12|
Fc1ccccc1CN1CC[C@@H]2C[C@@H]1c1cc(ccc21)N1CCOCC1 |r,TLB:18:19:10.8.9:12,7:8:19.14:12,THB:15:14:10.8.9:12|
C(N1CC[C@@H]2C[C@@H]1c1cc(ccc21)N1CCCCC1)c1ccccc1 |r,TLB:11:12:3.1.2:5,0:1:12.7:5,THB:8:7:3.1.2:5|
Clc1cccc(CN2CC[C@@H]3C[C@@H]2c2cc(ccc32)N2CCCCC2)c1 |r,TLB:17:18:9.7.8:11,6:7:18.13:11,THB:14:13:9.7.8:11|
C(N1CC[C@@H]2C[C@@H]1c1cc(ccc21)-c1ccc2OCOc2c1)c1ccccc1 |r,TLB:11:12:3.1.2:5,0:1:12.7:5,THB:8:7:3.1.2:5|
CN1CC[C@@H]2C[C@@H]1c1cc(ccc21)-c1ccc(cc1)C(F)(F)F |r,TLB:11:12:3.1.2:5,0:1:12.7:5,THB:8:7:3.1.2:5|
FC(F)(F)c1ccc(cc1)-c1ccc2[C@H]3C[C@@H](N(CCc4ccccc4)CC3)c2c1 |r,TLB:29:28:27.17.26:15,18:17:13.28:15,THB:12:13:27.17.26:15|
CN1CC[C@@H]2C[C@@H]1c1cc(ccc21)-c1cccc(C)c1 |r,TLB:11:12:3.1.2:5,0:1:12.7:5,THB:8:7:3.1.2:5|
Cc1cccc(c1)-c1ccc2[C@H]3C[C@@H](N(Cc4ccc5OCOc5c4)CC3)c2c1 |r,TLB:28:27:26.14.25:12,15:14:10.27:12,THB:9:10:26.14.25:12|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(C)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
CN1CCN(CC1)c1ccc2[C@H]3C[C@@H](NCC3)c2c1 |r,TLB:18:17:16.14.15:12,THB:9:10:16.14.15:12|
[H][C@]12C[C@@]([H])(N(CC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1cc(ccc21)N1CCN(C)CC1 |r,TLB:8:5:2:24.19,20:19:2:5.6.7,THB:23:24:2:5.6.7|
CN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)S(=O)(=O)c3ccccc3)c2c1 |r,TLB:17:14:10.26:12,27:26:16.14.15:12,THB:9:10:16.14.15:12|
CN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)C(=O)CCc3ccccc3)c2c1 |r,TLB:17:14:10.27:12,28:27:16.14.15:12,THB:9:10:16.14.15:12|
CN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)C(=O)OCC=C)c2c1 |r,TLB:17:14:10.23:12,24:23:16.14.15:12,THB:9:10:16.14.15:12|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CC=C)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
C=CCCN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)C(=O)OCc3ccccc3)c2c1 |r,TLB:20:17:13.30:15,31:30:19.17.18:15,THB:12:13:19.17.18:15|
[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccc2-[#6@H]-3-[#6]-[#6@@H](-[#7](-[#6]-[#6]-3)-[#6](=O)-[#8]-[#6]-c3ccccc3)-c2c1 |r,TLB:21:18:14.31:16,32:31:20.18.19:16,THB:13:14:20.18.19:16|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CCC(=O)OCC)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CC1)C1CCCC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CC(C)=C)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CCC)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CC1)C1CCCCC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
CCCOC(=O)CCN1CCN(CC1)c1ccc2[C@H]3C[C@@H](N(CC3)C(=O)OCc3ccccc3)c2c1 |r,TLB:24:21:17.34:19,THB:35:34:23.21.22:19,16:17:23.21.22:19|
CC(C)(CCN1CCC(CC1)C1CCOCC1)c1ccc(cc1)C(F)(F)F
CC(CC(C)(C)c1ccc(cc1)C(F)(F)F)N1CCC(CCO)CC1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(-[#6])cc1)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1
COCCCC1CCN(CCC(C)(C)c2ccc(cc2)C(F)(F)F)CC1
CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(CCO)CC1
COC1CCN(CC1)C(C)CC(C)(C)c1ccc(cc1)C(F)(F)F
CC(CC(C)(C)c1ccc(cc1)C(F)(F)F)N1CCC(CO)CC1
CC(C)(CCN1CCC(O)CC1)c1ccc(Cl)cc1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(cc1)C(F)(F)F)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1
COC1CCN(CCC(C)(C)c2ccc(Cl)cc2)CC1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(Cl)cc1)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1
CCC(C)(O)CCNC(C)CC(C)(C)c1ccc(cc1)C(F)(F)F
CC(CC(C)(C)c1ccc(cc1)C(F)(F)F)N1CCC(O)CC1
CC(C)(CCN1CCC(C)(O)CC1)c1ccc(cc1)C(F)(F)F
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(F)cc1)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1
CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(CO)CC1
CC(C)(CCN1CCC(O)CC1)c1ccc(cc1)C(F)(F)F
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]-[#8]-c1ccc(F)cc1)-[#7]-1-[#6]-[#6]-[#6](-[#8])-[#6]-[#6]-1
CC(CC(C)(C)c1ccc(F)cc1)N1CCC(CO)CC1
CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(O)CC1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]-[#6]-c1ccc(F)cc1)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1
CC(CC(C)(C)c1ccc(Cl)cc1)N1CCC(C)(O)CC1
[#6]-[#8]-[#6]-[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#6]C([#6])([#6])c1ccc(Cl)cc1)\[#6]=[#6](/[#6])-[#6]
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(Cl)cc1)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-c1ccncc1
CC(CC(C)(C)c1ccc(F)cc1)N1CCC(O)CC1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(-[#6])cc1)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-c1ccncc1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(cc1)C(F)(F)F)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-[#8])-[#6]-[#6]-1
[#6]-[#8]-c1ccc(cc1)C([#6])([#6])[#6]-[#6](\[#6]=[#6](\[#6])-[#6])-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-c1ccncc1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(cc1)C(F)(F)F)-[#7]-1-[#6]-[#6]C([#6])([#6])[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(Cl)cc1)-[#7]-1-[#6]-[#6]C([#6])([#6])[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(Cl)cc1)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-c1ccc(cc1)S([#6])(=O)=O
[#6]-[#6](-[#6])-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#6]C([#6])([#6])c1ccc(-[#6])cc1)\[#6]=[#6](\[#6])-[#6]
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(cc1)C(F)(F)F)-[#7]-1-[#6]-[#6]C2([#6]-[#6]-[#8]-[#6]-[#6]2)[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(cc1)C(F)(F)F)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#8])-[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(F)cc1)-[#7]-1-[#6]-[#6]C2([#6]-[#6]-[#8]-[#6]-[#6]2)[#6]-[#6]-1
[#6]-[#6]-1-[#6]-[#6](-[#6]-[#6](-[#6])-[#8]-1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#6]C([#6])([#6])c1ccc(cc1)C(F)(F)F)\[#6]=[#6](\[#6])-[#6]
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(cc1)C(F)(F)F)-[#7]-1-[#6]-[#6]-[#6](-[#8])-[#6]-[#6]-1
[#6]-[#8]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#6]C([#6])([#6])c1ccc(cc1)C(F)(F)F)\[#6]=[#6](\[#6])-[#6]
[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#6]C([#6])([#6])c1ccc(cc1)C(F)(F)F)\[#6]=[#6](\[#6])-[#6]
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(Cl)cc1)-[#7]-1-[#6]-[#6]C2([#6]-[#6]-[#8]-[#6]-[#6]2)[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(Cl)cc1)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#8])-[#6]-[#6]-1
[#6]-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#6]C([#6])([#6])c1ccc(Cl)cc1)\[#6]=[#6](\[#6])-[#6]
[#6]-[#6](-[#6])-[#8]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#6]C([#6])([#6])c1ccc(cc1)C(F)(F)F)\[#6]=[#6](\[#6])-[#6]
[#6]\[#6](-[#6])=[#6]\[#6](-[#7])-[#6]C([#6])([#6])c1ccc(-[#6])cc1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(Cl)cc1)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-c1cccc(c1)S([#6])(=O)=O
[#6]\[#6](-[#6])=[#6]\[#6](-[#7])-[#6]C([#6])([#6])c1ccc(F)cc1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(Cl)cc1)-[#7]-[#6]-[#6]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1
[#6]-[#6]-[#6](-[#6])-[#6]-[#6]-[#7]-[#6](-[#6]C([#6])([#6])c1ccc(-[#6])cc1)\[#6]=[#6](\[#6])-[#6]
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(cc1)S([#6])(=O)=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-c1ccncc1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(-[#6])cc1)-[#7]-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(Cl)cc1)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-[#8])-[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(-[#6])cc1)-[#7]-[#6]-c1ccc(-[#6])cc1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(Cl)cc1)-[#7]-1-[#6]-[#6]-[#6](F)-[#6]-[#6]-1
[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#6]C([#6])([#6])c1ccc(F)cc1)\[#6]=[#6](\[#6])-[#6]
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(-[#6])cc1)-[#7]-[#6]-[#6]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(F)cc1)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-[#8])-[#6]-[#6]-1
[#6]-[#6]-[#8]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#6]C([#6])([#6])c1ccc(F)cc1)\[#6]=[#6](\[#6])-[#6]
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(cc1)C(F)(F)F)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(F)cc1)-[#7]-1-[#6]-[#6]C([#6])([#8])[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(Cl)cc1)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-c1ccnc(c1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]-[#6]-c1ccc(-[#6])cc1)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(F)cc1)-[#7]-[#6]-[#6]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(Cl)cc1)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-c1ccnc(c1)-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(F)cc1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
[#6]-[#6@H](-[#7]-[#6](-[#6]C([#6])([#6])c1ccc(-[#6])cc1)\[#6]=[#6](\[#6])-[#6])-c1ccccc1 |r|
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(cc1)C(F)(F)F)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)C(F)(F)F
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(cc1)C(F)(F)F)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#6])=O
[#6]\[#6](-[#6])=[#6]\[#6](-[#7])-[#6]C([#6])([#6])c1ccc(cc1)C(F)(F)F
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(Cl)cc1)-[#7]-1-[#6]-[#6]C([#6])([#8])[#6]-[#6]-1
[#6]-[#8]-c1ccc(cc1)C([#6])([#6])[#6]-[#6](-[#7]-[#6]-[#6]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1)\[#6]=[#6](/[#6])-[#6]
[#6]\[#6](-[#6])=[#6]\[#6](-[#7])-[#6]C([#6])([#6])c1ccc(Cl)cc1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(F)cc1)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)C(F)(F)F
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(Cl)cc1)-[#7]-1-[#6]-[#6]-[#6](-[#8])-[#6]-[#6]-1
[#6]-[#6](-[#7]-[#6](-[#6]C([#6])([#6])c1ccc(-[#6])cc1)\[#6]=[#6](/[#6])-[#6])-c1ccccc1
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(F)cc1)-[#7]-1-[#6]-[#6]-[#6](-[#8])-[#6]-[#6]-1
[#6]-[#6@@H](-[#7]-[#6](-[#6]C([#6])([#6])c1ccc(-[#6])cc1)\[#6]=[#6](\[#6])-[#6])-c1ccccc1 |r|
[#6]\[#6](-[#6])=[#6]\[#6](-[#6]C([#6])([#6])c1ccc(F)cc1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#6])=O
[#6]\[#6](-[#6])=[#6]/[#6](-[#6]C([#6])([#6])c1ccc(cc1)S([#6])(=O)=O)-[#7]-1-[#6]-[#6]C2([#6]-[#6]-[#8]-[#6]-[#6]2)[#6]-[#6]-1
[#6]\[#6](-[#6])=[#6]\[#6@@H](-[#6]C([#6])([#6])c1ccc(cc1)C(F)(F)F)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6]-[#8] |r|
COC[C@H]1CCCN1C(C)CC(C)(C)c1ccc(Cl)cc1 |r|
COC[C@H]1CCCN1[C@H](C)CC(C)(C)c1ccc(cc1)C(F)(F)F |r|
CN[C@]1(CCCCC1NCCCN1CCCC1)c1ccccc1Cl
CCCN1CCC(CC1)c1cccc(c1)S(C)(=O)=O
CCCN1CCC(O)(CC1)c1cccc(c1)S(C)(=O)=O
CCCN1CC[C@H]([C@@H](O)C1)c1cccc(c1)S(C)(=O)=O |r|
CCCN1CCC([C@H](O)C1)c1cccc(c1)S(C)(=O)=O |r|
CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1[N@](C2)CCc4c3[nH]c5c4cc(cc5)OC
COc1cc(CC(C)N)c(OC)cc1Br
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
NCCc1c2CCOc2c(Br)c2CCOc12
COc1cc(CC(C)N)c(OC)cc1C
COc1cc(CC(C)N)cc(OC)c1OC
CCc1cc(OC)c(CC(C)N)cc1OC
CC(CN1C[C@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C |r|
CC(C)(C)c1ccc(CCCN2CCOCC2)cc1
C(CN1CCOCC1)Cc1ccccc1
CC(C)(C)c1ccc(CCCN2CCCCC2)cc1
C[C@@H]1CN(CCCc2ccc(cc2)C(C)(C)C)C[C@@H](C)O1 |r|
CC1CCN(CCCc2ccc(cc2)C(C)(C)C)CC1
CC1CN(CCCc2ccc(cc2)C(C)(C)C)CC(C)O1
COc1cc2CCN(CCNc3ccc(c(c3)C(F)(F)F)[N+]([O-])=O)Cc2cc1OC
COc1cc2CCN(CCCNc3ccc(c(c3)C(F)(F)F)[N+]([O-])=O)Cc2cc1OC
[O-][N+](=O)c1ccc(NCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F
[O-][N+](=O)c1ccc(NCCCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F
[O-][N+](=O)c1ccc(NCCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F
COc1cc2CCN(CCCCNc3ccc(c(c3)C(F)(F)F)[N+]([O-])=O)Cc2cc1OC
[O-][N+](=O)c1ccc(NCCCCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F
COc1cc2CCN(CCCCCNc3ccc(c(c3)C(F)(F)F)[N+]([O-])=O)Cc2cc1OC
CCCCCCCCN1CCC2(CC1)O[C@H](CCO)Cc1ccccc21 |r|
OCC[C@H]1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1 |r|
OCC[C@@H]1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1 |r|
OCC[C@@H]1Cc2ccccc2C2(CCN(CC3CCCCC3)CC2)O1 |r|
COC(=O)C[C@H]1Cc2ccccc2[C@@H](CCN2CCC(CC2)c2ccccc2)O1 |r|
COC(=O)C[C@@H]1Cc2ccccc2[C@H](CCN2CCC(CC2)c2ccccc2)O1 |r|
Cc1ccccc1NC(=N)Nc1ccccc1C
CCCCCCCCN1CCC2(CC1)O[C@@H](CCO)Cc1ccccc21 |r|
OCC[C@H]1Cc2ccccc2C2(CCN(CC3CCCCC3)CC2)O1 |r|
C(CN(Cc1ccccc1)Cc1ccccc1)C1CC2OC(Cc3ccccc23)O1 |THB:27:28:29.17.18:20,0:17:20:22.28.23|
C(CC1CC2OC(Cc3ccccc23)O1)NCc1ccccc1 |TLB:1:2:5:7.13.8,THB:12:13:14.2.3:5|
CN(C)CCC1CC2OC(Cc3ccccc23)O1 |THB:15:16:17.5.6:8,4:5:8:10.16.11|
NCCC1CC2OC(Cc3ccccc23)O1 |THB:13:14:15.3.4:6,2:3:6:8.14.9|
Clc1ccc(cc1)N1CCN(Cc2ccc3NC(=O)COc3c2)CC1
Cc1ccc(cc1C)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Fc1ccc2N(CC3(CCN(C\C=C\c4ccc(Cl)cc4)CC3)c2c1)C(=O)c1ccnc(F)c1
c1cc(ccc1/C=C/CN2CCC3(CC2)CN(c4c3cc(cc4)F)C(=O)c5ccc(nc5)Br)Cl
Fc1ccc(cc1)C(=O)N1CC2(CCN(C\C=C\c3ccc(Cl)cc3)CC2)c2cc(F)ccc12
FCCOC(=O)N1CC2(CCN(C\C=C\c3ccc(Cl)cc3)CC2)c2cc(F)ccc12
Fc1ccc2N(CC3(CCN(C\C=C\c4ccc(Cl)cc4)CC3)c2c1)C(=O)c1ccnc(Cl)c1
Fc1ccc2N(CC3(CCN(C\C=C\c4ccc(Cl)cc4)CC3)c2c1)C(=O)c1ccc(F)nc1
COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
C(CCN1CCN(CC1)C1CCCCC1)CC1CCCc2ccccc12
C([C@@H]1CNCCCN1Cc1ccccc1)c1ccccc1 |r|
COc1ccc(CN2CCCN(Cc3ccccc3)[C@@H](Cc3ccccc3)C2)cc1 |r|
C([C@H]1CN(Cc2ccccc2)CCCN1Cc1ccccc1)c1ccccc1 |r|
C([C@@H]1CN(Cc2ccccc2)CCCN1Cc1ccccc1)c1ccccc1 |r|
C(Cc1ccccc1)N1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1 |r|
C(CN1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1)Cc1ccccc1 |r|
C(CN1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1)Cc1ccccc1 |r|
C(CCc1ccccc1)CN1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1 |r|
OC(CN1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1)c1ccccc1 |r|
OC(CN1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1)c1ccccc1 |r|
OCC(N1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1)c1ccccc1 |r|
CN1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1 |r|
CCCCN1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1 |r|
CCCCN1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1 |r|
[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6]-[#6]-[#7](-[#6]-c2ccccc2)-[#6@H](-[#6]-c2ccccc2)-[#6]-1 |r|
CCCCN1CCCN(CCCCc2ccccc2)[C@H](Cc2ccccc2)C1 |r|
CCCCN1CCCN(C)[C@@H](Cc2ccccc2)C1 |r|
CCCCN1CCCN(CCCC)[C@@H](Cc2ccccc2)C1 |r|
CCCCN1CCCN(CCCC)[C@H](Cc2ccccc2)C1 |r|
COc1ccc(CN2CCCN(Cc3ccccc3)[C@@H](C)C2)cc1 |r|
C[C@H]1CN(CCCCc2ccccc2)CCCN1Cc1ccccc1 |r|
C[C@@H]1CN(CCCCc2ccccc2)CCCN1Cc1ccccc1 |r|
CCCCN1CCCN(Cc2ccccc2)[C@H](C)C1 |r|
C[C@H]1CN(CC2CCCCC2)CCCN1Cc1ccccc1 |r|
C[C@@H]1CN(CC2CCCCC2)CCCN1Cc1ccccc1 |r|
COc1ccc(CN2CCCN(CC3CCCCC3)C[C@@H]2C)cc1 |r|
C[C@H]1CN(CC2CCCCC2)CCCN1Cc1ccc(Cl)cc1 |r|
COc1ccc(CN2CCCN(Cc3ccccc3)[C@H](C2)C(C)C)cc1 |r|
CC(C)[C@H]1CN(CC2CCCCC2)CCCN1Cc1ccccc1 |r|
CCCCN1CCCN(C)[C@H](Cc2ccccc2)C1 |r|
COc1ccc(CN2CCCN(Cc3ccccc3)[C@H](C)C2)cc1 |r|
CCCCN1CCCN(Cc2ccccc2)[C@@H](C)C1 |r|
C([C@H]1CNCCCN1Cc1ccccc1)c1ccccc1 |r|
COc1ccc(CN2CCCN(Cc3ccccc3)[C@H](Cc3ccccc3)C2)cc1 |r|
C(Cc1ccccc1)N1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1 |r|
C(CCc1ccccc1)CN1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1 |r|
OCC(N1CCCN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1)c1ccccc1 |r|
CN1CCCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1 |r|
CCCCN1CCCN(CCCCc2ccccc2)[C@@H](Cc2ccccc2)C1 |r|
Clc1ccc(cc1)C(=O)NCCCN1Cc2ccccc2C1
CN(CCNC(=O)c1ccc(Cl)cc1)Cc1ccccc1
CN(CCCNCc1ccc(Cl)cc1)Cc1ccccc1
CN(CCCNC(=O)c1ccc(Br)cc1F)Cc1ccccc1
Clc1ccc(cc1)C(=O)NCCN1CCCC1
CN1CCN(CCNC(=O)c2ccc(Cl)cc2)CC1
CN(CCCNS(=O)(=O)c1ccc(Cl)cc1)Cc1ccccc1
CN(CCCNC(=O)c1ccccc1)Cc1ccccc1
CN(CCCNC(=O)c1ccc(cc1)C(C)(C)C)Cc1ccccc1
CN(CCNC(=O)c1cccc(Cl)c1Cl)Cc1ccccc1
CN(CCCNC(=O)c1cccc(c1)N(C)C)Cc1ccccc1
CN(CCCC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1
Clc1ccc(cc1)C(=O)NCCN1CCOCC1
CN1CCN(CCCNC(=O)c2ccc(Cl)cc2)CC1
Clc1ccc(cc1)C(=O)NCCCN1CCOCC1
Clc1ccc(cc1)C(=O)NCCCN1CCCC1
COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC
OC1CCCCC1N1CCC(CC1)c1ccccc1
[H][C@]12Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N1[C@H](C)CCO2 |r|
CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C
CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
[H][C@]12CC[C@@]([H])(CC(C1)NC(=O)n1c3ccccc3n(CC)c1=O)N2C |r,@:7|
COc1cc2CCN(CCCCn3cnc4cc(Cl)c(cc4c3=O)[N+]([O-])=O)Cc2cc1OC
C(CN1CCN(CC1)C1CCCCC1)Cn1c2ccccc2c2ccccc12
COc1ccc(C)cc1C(=O)NCCCCN1CCc2cc(OC)c(OC)cc2C1
COc1cc2CCN(CCCCNC(=O)c3cc(I)cc(OC)c3OCCF)Cc2cc1OC
Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
COc1cc2CCN(CCC(=O)c3c(C)c(OC)c(OC)c(OC)c3O)Cc2cc1OC
COc1ccc(C(=O)CCN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1
COc1cc2CCN(CCCn3cnc4cc(Cl)c(cc4c3=O)[N+]([O-])=O)Cc2cc1OC
COc1ccc(C(O)CN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1
COc1ccc(C(=O)CCCCN2CCc3cc(OC)c(OC)cc3C2)c(C)c1
COc1cc2CCN(CCCn3cnc4cc(OC)c(OC)cc4c3=O)Cc2cc1OC
[H][C@@]12CCC[C@]([H])(CC(C1)OC(=O)Nc1cc(C)ccc1OC)N2CCCCCCN |r,@:8,TLB:10:8:4.3.2:23,24:23:4.3.2:9.8.7|
COc1ccc(C(O)CCCCN2CCc3cc(OC)c(OC)cc3C2)c(C)c1
COc1ccc(C(O)CCN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1
COc1ccc(C(=O)CCN2CCc3cc(OC)c(OC)cc3C2)c(C)c1
COc1ccc(C(O)CCCCN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1
COc1ccc(C(=O)CN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1
COc1ccc(C(O)CCN2CCc3cc(OC)c(OC)cc3C2)c(C)c1
COc1ccc(C(=O)CCCCN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1
COc1cc2CCN(CCn3cnc4cc(Cl)c(cc4c3=O)[N+]([O-])=O)Cc2cc1OC
COc1cc2CCN(CCCCn3cnc4cc(OC)c(OC)cc4c3=O)Cc2cc1OC
[H][C@@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CC(C)=C)CC1 |r|
[H][C@@]12C[C@@]([H])(N(Cc3ccccc3)CC1)c1ccc(cc21)N1CCOCC1 |r|
[H][C@@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(C)CC1 |r|
[H][C@@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CC1)C1CCCC1 |r|
[H][C@@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CCC(=O)OCC)CC1 |r|
[H][C@@]12C[C@@]([H])(N(Cc3ccccc3)CC1)c1ccc(cc21)-c1cccc(OC)c1 |r|
Cc1ccc(CN[C@H]2CCC3(CC2)O[C@H](CCF)Cc2ccccc32)c(C)c1 |r,wU:7.6,wD:14.15,(11.57,-19.09,;11.58,-17.55,;12.92,-16.79,;12.92,-15.26,;11.6,-14.49,;11.61,-12.96,;12.96,-12.21,;12.97,-10.66,;11.64,-9.88,;11.65,-8.35,;12.99,-7.58,;14.32,-8.35,;14.31,-9.9,;11.67,-6.81,;11.68,-5.27,;10.34,-4.49,;9,-5.25,;7.67,-4.47,;13.01,-4.51,;14.33,-5.28,;15.66,-4.5,;17,-5.27,;17,-6.82,;15.66,-7.6,;14.33,-6.82,;10.27,-15.24,;8.94,-14.46,;10.26,-16.78,)|
Cc1ccc(CN[C@H]2CCC3(CC2)O[C@H](O)Cc2ccccc32)c(C)c1 |r,wU:7.6,wD:14.15,(44.4,-19.23,;44.41,-17.69,;45.75,-16.92,;45.76,-15.39,;44.43,-14.62,;44.44,-13.08,;45.78,-12.32,;45.79,-10.78,;44.47,-9.99,;44.47,-8.46,;45.81,-7.7,;47.14,-8.47,;47.13,-10.01,;44.49,-6.93,;44.5,-5.39,;43.17,-4.61,;45.83,-4.63,;47.15,-5.4,;48.48,-4.62,;49.82,-5.39,;49.82,-6.94,;48.48,-7.71,;47.15,-6.94,;43.09,-15.37,;41.76,-14.59,;43.08,-16.91,)|
COc1cc2CCN(Cc2cc1OC)[C@H]1CCC2(CC1)O[C@H](O)Cc1ccccc21 |r,wU:14.15,wD:21.24,(10.33,-20.9,;11.67,-20.14,;11.69,-18.6,;13.02,-17.85,;13.04,-16.32,;14.39,-15.56,;14.41,-14.01,;13.08,-13.24,;11.73,-14,;11.72,-15.53,;10.38,-16.27,;10.36,-17.81,;9.01,-18.57,;7.69,-17.78,;13.09,-11.7,;11.76,-10.92,;11.77,-9.39,;13.11,-8.63,;14.44,-9.4,;14.43,-10.94,;11.79,-7.85,;11.8,-6.32,;10.47,-5.54,;13.13,-5.56,;14.45,-6.33,;15.78,-5.55,;17.11,-6.31,;17.12,-7.87,;15.78,-8.64,;14.44,-7.87,)|
CCOC(=O)C[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)NCc2ccc(C)cc2C)O1 |r,wU:6.5,17.21,(21.36,-26.74,;22.69,-27.52,;24.02,-26.76,;25.35,-27.54,;25.34,-29.08,;26.69,-26.78,;28.02,-27.56,;29.36,-26.8,;30.68,-27.57,;32,-26.79,;33.33,-27.55,;33.34,-29.11,;32,-29.88,;30.67,-29.11,;29.33,-29.86,;28,-30.63,;27.99,-32.16,;29.31,-32.94,;30.65,-32.18,;30.66,-30.63,;29.3,-34.48,;27.96,-35.24,;27.95,-36.78,;29.28,-37.55,;29.28,-39.08,;27.93,-39.85,;27.92,-41.39,;26.6,-39.07,;26.61,-37.53,;25.29,-36.75,;28.01,-29.09,)|
CCOC(=O)C[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCc3cc(OC)c(OC)cc3C2)O1 |r,wU:6.5,17.21,(56.24,-27.53,;57.57,-28.31,;58.9,-27.55,;60.23,-28.33,;60.22,-29.87,;61.57,-27.56,;62.9,-28.34,;64.24,-27.59,;65.56,-28.36,;66.89,-27.58,;68.22,-28.34,;68.23,-29.89,;66.89,-30.67,;65.55,-29.89,;64.22,-30.65,;62.88,-31.42,;62.87,-32.95,;64.2,-33.73,;65.54,-32.97,;65.55,-31.42,;64.19,-35.27,;65.51,-36.04,;65.5,-37.59,;64.15,-38.35,;64.13,-39.88,;62.8,-40.63,;62.78,-42.17,;64.11,-42.96,;61.47,-39.84,;60.12,-40.6,;58.8,-39.81,;61.49,-38.3,;62.83,-37.55,;62.84,-36.02,;62.9,-29.88,)|
OCC[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:3.2,14.18,(20,-26.1,;21.33,-26.87,;22.67,-26.11,;24,-26.89,;25.33,-26.13,;26.65,-26.9,;27.97,-26.13,;29.31,-26.89,;29.31,-28.44,;27.98,-29.21,;26.64,-28.44,;25.31,-29.2,;23.97,-29.96,;23.96,-31.49,;25.29,-32.27,;26.63,-31.51,;26.64,-29.97,;25.28,-33.81,;23.93,-34.56,;23.92,-36.1,;25.24,-36.89,;26.59,-36.13,;26.6,-34.58,;25.23,-38.42,;23.89,-39.17,;23.87,-40.71,;25.19,-41.5,;26.53,-40.75,;26.56,-39.2,;23.99,-28.43,)|
COc1cc2CCN(CCCCNC(=O)c3cc(Br)cc(OC)c3OC)Cc2cc1OC
CO[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)NCc2ccccc2)O1 |r,wU:13.17,wD:2.1,(39.25,-18.17,;39.24,-19.72,;40.57,-20.49,;41.91,-19.74,;43.23,-20.51,;44.55,-19.73,;45.89,-20.49,;45.89,-22.04,;44.56,-22.82,;43.22,-22.05,;41.89,-22.8,;40.55,-23.57,;40.54,-25.1,;41.87,-25.88,;43.2,-25.12,;43.22,-23.57,;41.85,-27.42,;40.51,-28.18,;40.5,-29.73,;39.16,-30.48,;39.15,-32.02,;40.48,-32.8,;41.83,-32.03,;41.83,-30.49,;40.56,-22.03,)|
CO[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)NCc2ccccc2)O1 |r,wU:2.1,13.17,(39.25,-35.27,;39.24,-36.81,;40.57,-37.59,;41.91,-36.83,;43.23,-37.6,;44.55,-36.82,;45.89,-37.59,;45.89,-39.14,;44.56,-39.91,;43.22,-39.14,;41.89,-39.9,;40.55,-40.66,;40.54,-42.2,;41.87,-42.98,;43.2,-42.21,;43.22,-40.67,;41.85,-44.52,;40.51,-45.28,;40.5,-46.82,;39.16,-47.57,;39.15,-49.11,;40.48,-49.9,;41.83,-49.13,;41.83,-47.59,;40.56,-39.13,)|
CO[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)NCc2ccc(C)cc2C)O1 |r,wU:13.17,wD:2.1,(65.03,-3.22,;65.02,-4.76,;66.35,-5.54,;67.69,-4.78,;69.01,-5.55,;70.33,-4.77,;71.67,-5.54,;71.68,-7.09,;70.34,-7.86,;69,-7.09,;67.67,-7.85,;66.33,-8.61,;66.32,-10.14,;67.65,-10.92,;68.99,-10.16,;69,-8.62,;67.64,-12.47,;66.3,-13.23,;66.29,-14.77,;67.61,-15.53,;67.61,-17.07,;66.26,-17.84,;66.26,-19.38,;64.93,-17.06,;64.95,-15.52,;63.62,-14.74,;66.35,-7.08,)|
CO[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)NCc2ccc(C)cc2C)O1 |r,wU:2.1,13.17,(63.75,-21.76,;63.74,-23.3,;65.07,-24.08,;66.41,-23.32,;67.73,-24.1,;69.05,-23.32,;70.39,-24.08,;70.39,-25.63,;69.05,-26.4,;67.72,-25.63,;66.38,-26.39,;65.04,-27.15,;65.04,-28.69,;66.36,-29.47,;67.7,-28.71,;67.71,-27.16,;66.35,-31.01,;65.01,-31.77,;65,-33.31,;66.33,-34.08,;66.32,-35.62,;64.98,-36.39,;64.97,-37.93,;63.65,-35.6,;63.66,-34.06,;62.33,-33.28,;65.06,-25.62,)|
CO[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:13.17,wD:2.1,(7.52,-1.04,;7.51,-2.58,;8.84,-3.36,;10.17,-2.6,;11.49,-3.37,;12.82,-2.59,;14.16,-3.36,;14.16,-4.91,;12.82,-5.68,;11.49,-4.91,;10.15,-5.67,;8.81,-6.43,;8.8,-7.96,;10.13,-8.74,;11.47,-7.98,;11.48,-6.44,;10.12,-10.29,;8.77,-11.04,;8.76,-12.57,;10.09,-13.36,;11.43,-12.6,;11.45,-11.05,;10.07,-14.89,;8.73,-15.65,;8.71,-17.18,;10.03,-17.98,;11.38,-17.22,;11.4,-15.68,;8.83,-4.9,)|
CO[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:2.1,13.17,(8.95,-24.18,;8.94,-25.72,;10.27,-26.5,;11.61,-25.74,;12.93,-26.52,;14.25,-25.74,;15.59,-26.5,;15.59,-28.05,;14.25,-28.82,;12.92,-28.05,;11.58,-28.81,;10.24,-29.57,;10.24,-31.11,;11.56,-31.89,;12.9,-31.13,;12.91,-29.58,;11.55,-33.43,;10.21,-34.18,;10.19,-35.71,;11.52,-36.5,;12.86,-35.74,;12.88,-34.2,;11.51,-38.04,;10.16,-38.79,;10.14,-40.33,;11.46,-41.12,;12.81,-40.36,;12.83,-38.82,;10.26,-28.04,)|
CO[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCc3cc(OC)c(OC)cc3C2)O1 |r,wU:13.17,wD:2.1,(25.72,-1.85,;25.71,-3.4,;27.04,-4.18,;28.38,-3.42,;29.7,-4.19,;31.02,-3.41,;32.36,-4.17,;32.36,-5.73,;31.02,-6.5,;29.69,-5.73,;28.35,-6.49,;27.01,-7.25,;27.01,-8.78,;28.33,-9.56,;29.67,-8.8,;29.68,-7.25,;28.32,-11.1,;29.65,-11.87,;29.63,-13.42,;28.29,-14.18,;28.27,-15.71,;26.93,-16.46,;26.91,-18,;25.57,-18.76,;25.6,-15.67,;24.26,-16.43,;22.93,-15.64,;25.62,-14.13,;26.97,-13.38,;26.98,-11.85,;27.03,-5.71,)|
CO[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCc3cc(OC)c(OC)cc3C2)O1 |r,wU:2.1,13.17,(27.01,-23.78,;27,-25.32,;28.33,-26.1,;29.67,-25.34,;30.99,-26.11,;32.32,-25.34,;33.65,-26.1,;33.66,-27.65,;32.32,-28.42,;30.98,-27.65,;29.65,-28.41,;28.31,-29.17,;28.3,-30.71,;29.63,-31.49,;30.97,-30.73,;30.98,-29.18,;29.62,-33.03,;30.94,-33.8,;30.93,-35.34,;29.58,-36.1,;29.56,-37.64,;28.23,-38.39,;28.21,-39.93,;26.87,-40.69,;26.9,-37.6,;25.55,-38.35,;24.23,-37.56,;26.92,-36.06,;28.26,-35.31,;28.27,-33.78,;28.33,-27.64,)|
Cc1ccc(CN[C@H]2CCC3(CC2)O[C@@H](O)Cc2ccccc32)c(C)c1 |r,wU:14.15,7.6,(44.04,-39.83,;44.05,-38.28,;45.4,-37.52,;45.4,-35.98,;44.07,-35.21,;44.09,-33.67,;45.43,-32.91,;45.44,-31.37,;44.11,-30.59,;44.12,-29.05,;45.46,-28.29,;46.79,-29.06,;46.78,-30.6,;44.13,-27.52,;44.14,-25.98,;42.81,-25.2,;45.48,-25.22,;46.8,-25.99,;48.12,-25.22,;49.46,-25.98,;49.47,-27.53,;48.13,-28.3,;46.79,-27.53,;42.73,-35.96,;41.41,-35.18,;42.72,-37.5,)|
O[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:12.16,wD:1.0,(55.77,-2.29,;57.1,-3.07,;58.44,-2.31,;59.76,-3.08,;61.08,-2.3,;62.42,-3.07,;62.42,-4.62,;61.08,-5.39,;59.75,-4.62,;58.41,-5.38,;57.08,-6.14,;57.07,-7.68,;58.39,-8.46,;59.73,-7.69,;59.75,-6.15,;58.38,-10,;57.04,-10.75,;57.02,-12.28,;58.35,-13.07,;59.69,-12.31,;59.71,-10.77,;58.34,-14.61,;56.99,-15.36,;56.97,-16.9,;58.29,-17.69,;59.64,-16.93,;59.66,-15.39,;57.09,-4.61,)|
O[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:1.0,12.16,(56.67,-24.62,;58,-25.4,;59.33,-24.64,;60.65,-25.41,;61.98,-24.63,;63.31,-25.39,;63.32,-26.95,;61.98,-27.72,;60.65,-26.95,;59.31,-27.71,;57.97,-28.47,;57.96,-30,;59.29,-30.78,;60.63,-30.02,;60.64,-28.48,;59.28,-32.32,;57.93,-33.07,;57.92,-34.61,;59.25,-35.4,;60.59,-34.64,;60.61,-33.09,;59.23,-36.93,;57.89,-37.69,;57.87,-39.22,;59.19,-40.01,;60.54,-39.26,;60.56,-37.71,;57.99,-26.93,)|
COc1cc2CCN(Cc2cc1OC)[C@H]1CCC2(CC1)O[C@@H](O)Cc1ccccc21 |r,wU:21.24,14.15,(11.62,-42.83,;12.96,-42.07,;12.98,-40.53,;14.32,-39.77,;14.34,-38.24,;15.68,-37.48,;15.7,-35.94,;14.37,-35.17,;13.03,-35.92,;13.02,-37.45,;11.67,-38.2,;11.65,-39.74,;10.31,-40.49,;8.98,-39.7,;14.38,-33.63,;13.06,-32.85,;13.06,-31.31,;14.4,-30.55,;15.73,-31.32,;15.72,-32.87,;13.08,-29.78,;13.09,-28.24,;11.76,-27.46,;14.43,-27.48,;15.75,-28.25,;17.07,-27.48,;18.41,-28.24,;18.41,-29.79,;17.07,-30.56,;15.74,-29.79,)|
CCOC(=O)C[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)NCc2ccc(C)cc2C)O1 |r,wU:17.21,wD:6.5,(21.82,-5.58,;23.14,-6.36,;24.48,-5.59,;25.81,-6.37,;25.8,-7.91,;27.15,-5.61,;28.48,-6.39,;29.82,-5.63,;31.13,-6.4,;32.46,-5.62,;33.79,-6.39,;33.8,-7.94,;32.46,-8.71,;31.13,-7.94,;29.79,-8.7,;28.46,-9.46,;28.45,-10.99,;29.77,-11.77,;31.11,-11.01,;31.12,-9.47,;29.76,-13.31,;28.42,-14.07,;28.41,-15.61,;29.74,-16.38,;29.74,-17.91,;28.39,-18.68,;28.38,-20.22,;27.06,-17.9,;27.07,-16.36,;25.75,-15.58,;28.47,-7.93,)|
CCOC(=O)C[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:17.21,wD:6.5,(36.26,-6.61,;37.59,-7.39,;38.93,-6.63,;40.26,-7.41,;40.25,-8.95,;41.6,-6.65,;42.93,-7.42,;44.26,-6.67,;45.58,-7.44,;46.9,-6.66,;48.24,-7.42,;48.24,-8.97,;46.91,-9.74,;45.57,-8.97,;44.24,-9.73,;42.9,-10.49,;42.89,-12.03,;44.22,-12.81,;45.56,-12.04,;45.57,-10.5,;44.21,-14.35,;42.86,-15.1,;42.85,-16.63,;44.17,-17.42,;45.52,-16.66,;45.53,-15.11,;44.16,-18.95,;42.82,-19.7,;42.8,-21.24,;44.12,-22.03,;45.46,-21.28,;45.49,-19.73,;42.92,-8.96,)|
CCOC(=O)C[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:6.5,17.21,(36.64,-28.39,;37.97,-29.17,;39.31,-28.4,;40.63,-29.18,;40.62,-30.72,;41.97,-28.42,;43.3,-29.2,;44.64,-28.44,;45.96,-29.21,;47.28,-28.43,;48.62,-29.2,;48.62,-30.75,;47.28,-31.52,;45.95,-30.75,;44.62,-31.51,;43.28,-32.27,;43.27,-33.8,;44.6,-34.58,;45.93,-33.82,;45.95,-32.28,;44.58,-36.12,;43.24,-36.87,;43.22,-38.41,;44.55,-39.19,;45.89,-38.43,;45.91,-36.89,;44.54,-40.73,;43.19,-41.48,;43.17,-43.01,;44.49,-43.81,;45.84,-43.05,;45.86,-41.51,;43.29,-30.74,)|
CCOC(=O)C[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCc3cc(OC)c(OC)cc3C2)O1 |r,wU:17.21,wD:6.5,(54.32,-5.39,;55.65,-6.17,;56.98,-5.4,;58.32,-6.18,;58.31,-7.72,;59.65,-5.42,;60.98,-6.2,;62.32,-5.44,;63.64,-6.21,;64.97,-5.43,;66.3,-6.2,;66.31,-7.75,;64.97,-8.52,;63.63,-7.75,;62.3,-8.51,;60.96,-9.27,;60.95,-10.81,;62.28,-11.59,;63.62,-10.82,;63.63,-9.28,;62.27,-13.13,;63.59,-13.9,;63.58,-15.44,;62.23,-16.2,;62.21,-17.73,;60.88,-18.49,;60.86,-20.03,;62.19,-20.81,;59.55,-17.7,;58.2,-18.45,;56.88,-17.66,;59.57,-16.16,;60.91,-15.41,;60.92,-13.88,;60.98,-7.74,)|
Cc1ccc(CN[C@H]2CCC3(CC2)O[C@H](CCO)Cc2ccccc32)c(C)c1 |r,wU:7.6,wD:14.15,(9.35,-17.85,;9.36,-16.31,;10.7,-15.55,;10.7,-14.02,;9.38,-13.25,;9.39,-11.72,;10.74,-10.97,;10.75,-9.42,;9.42,-8.64,;9.43,-7.11,;10.77,-6.34,;12.1,-7.11,;12.09,-8.66,;9.45,-5.57,;9.45,-4.03,;8.12,-3.25,;6.78,-4.01,;5.45,-3.23,;10.79,-3.27,;12.11,-4.05,;13.44,-3.26,;14.78,-4.03,;14.78,-5.58,;13.44,-6.36,;12.11,-5.58,;8.05,-14,;6.72,-13.22,;8.04,-15.54,)|
Cc1ccc(CN[C@H]2CCC3(CC2)O[C@@H](CCO)Cc2ccccc32)c(C)c1 |r,wU:14.15,7.6,(8.81,-41.13,;8.82,-39.59,;10.15,-38.83,;10.16,-37.3,;8.84,-36.53,;8.85,-35,;10.19,-34.25,;10.2,-32.7,;8.88,-31.92,;8.88,-30.39,;10.22,-29.62,;11.56,-30.39,;11.54,-31.94,;8.9,-28.85,;8.91,-27.31,;7.58,-26.53,;6.24,-27.29,;4.9,-26.51,;10.25,-26.55,;11.57,-27.32,;12.89,-26.54,;14.23,-27.31,;14.24,-28.86,;12.9,-29.64,;11.56,-28.86,;7.5,-37.28,;6.17,-36.5,;7.49,-38.81,)|
OCC[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:14.18,wD:3.2,(19.52,-4.75,;20.84,-5.53,;22.18,-4.76,;23.51,-5.54,;24.85,-4.79,;26.17,-5.56,;27.49,-4.78,;28.83,-5.54,;28.83,-7.09,;27.49,-7.86,;26.16,-7.09,;24.83,-7.85,;23.49,-8.61,;23.48,-10.14,;24.81,-10.93,;26.14,-10.16,;26.16,-8.62,;24.79,-12.47,;23.45,-13.22,;23.44,-14.75,;24.76,-15.54,;26.1,-14.78,;26.12,-13.23,;24.75,-17.07,;23.4,-17.82,;23.38,-19.36,;24.71,-20.15,;26.05,-19.4,;26.07,-17.85,;23.51,-7.08,)|
COc1cc2CCN(Cc2cc1OC)[C@H]1CCC2(CC1)O[C@H](CCO)Cc1ccccc21 |r,wU:14.15,wD:21.24,(41.86,-19.98,;40.54,-19.19,;40.56,-17.65,;41.89,-16.9,;41.91,-15.37,;43.26,-14.61,;43.27,-13.06,;41.95,-12.29,;40.6,-13.05,;40.59,-14.58,;39.25,-15.32,;39.23,-16.86,;37.88,-17.62,;36.56,-16.83,;41.96,-10.75,;40.63,-9.97,;40.64,-8.44,;41.98,-7.68,;43.31,-8.45,;43.3,-9.99,;40.66,-6.9,;40.66,-5.37,;39.33,-4.59,;37.99,-5.35,;36.66,-4.57,;42,-4.61,;43.32,-5.38,;44.64,-4.6,;45.98,-5.37,;45.99,-6.92,;44.65,-7.69,;43.31,-6.92,)|
COc1cc2CCN(Cc2cc1OC)[C@H]1CCC2(CC1)O[C@@H](CCO)Cc1ccccc21 |r,wU:21.24,14.15,(43.31,-42.64,;41.99,-41.86,;42,-40.32,;43.34,-39.56,;43.36,-38.03,;44.71,-37.27,;44.72,-35.73,;43.4,-34.96,;42.05,-35.71,;42.04,-37.24,;40.7,-37.99,;40.67,-39.53,;39.33,-40.28,;38,-39.49,;43.41,-33.42,;42.08,-32.64,;42.09,-31.1,;43.43,-30.34,;44.76,-31.11,;44.75,-32.65,;42.11,-29.57,;42.11,-28.03,;40.78,-27.25,;39.44,-28.01,;38.11,-27.23,;43.45,-27.27,;44.77,-28.04,;46.09,-27.26,;47.43,-28.03,;47.44,-29.58,;46.1,-30.35,;44.76,-29.58,)|
Cc1ccc(CN[C@H]2CCC3(CC2)O[C@@H](CCF)Cc2ccccc32)c(C)c1 |r,wU:14.15,7.6,(11.03,-42.37,;11.04,-40.83,;12.37,-40.06,;12.38,-38.54,;11.06,-37.77,;11.07,-36.24,;12.41,-35.48,;12.43,-33.94,;11.1,-33.16,;11.11,-31.63,;12.45,-30.86,;13.78,-31.63,;13.77,-33.18,;11.12,-30.09,;11.13,-28.55,;9.8,-27.77,;8.46,-28.53,;7.13,-27.75,;12.47,-27.79,;13.79,-28.56,;15.12,-27.78,;16.45,-28.55,;16.46,-30.1,;15.12,-30.87,;13.78,-30.1,;9.72,-38.52,;8.39,-37.74,;9.71,-40.05,)|
FCC[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:14.18,wD:3.2,(21.73,-5.98,;23.06,-6.76,;24.4,-6,;25.73,-6.78,;27.06,-6.02,;28.38,-6.79,;29.71,-6.01,;31.04,-6.78,;31.05,-8.33,;29.71,-9.1,;28.38,-8.33,;27.04,-9.09,;25.7,-9.85,;25.7,-11.38,;27.02,-12.16,;28.36,-11.4,;28.37,-9.86,;27.01,-13.7,;25.67,-14.45,;25.65,-15.99,;26.98,-16.77,;28.32,-16.01,;28.34,-14.47,;26.97,-18.31,;25.62,-19.06,;25.6,-20.59,;26.92,-21.39,;28.27,-20.63,;28.29,-19.09,;25.72,-8.32,)|
FCC[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)N2CCN(CC2)C2CCCCC2)O1 |r,wU:3.2,14.18,(22.21,-27.33,;23.54,-28.11,;24.88,-27.35,;26.21,-28.13,;27.55,-27.37,;28.87,-28.14,;30.19,-27.36,;31.53,-28.13,;31.53,-29.68,;30.19,-30.45,;28.86,-29.68,;27.53,-30.43,;26.19,-31.2,;26.18,-32.73,;27.5,-33.51,;28.84,-32.75,;28.85,-31.2,;27.49,-35.05,;26.15,-35.8,;26.13,-37.33,;27.46,-38.12,;28.8,-37.36,;28.82,-35.82,;27.45,-39.66,;26.1,-40.41,;26.08,-41.94,;27.4,-42.73,;28.75,-41.98,;28.77,-40.44,;26.2,-29.66,)|
COc1cc2CCN(Cc2cc1OC)[C@H]1CCC2(CC1)O[C@H](CCF)Cc1ccccc21 |r,wU:14.15,wD:21.24,(44.08,-21.22,;42.76,-20.43,;42.78,-18.89,;44.11,-18.14,;44.13,-16.61,;45.48,-15.85,;45.49,-14.3,;44.17,-13.53,;42.82,-14.28,;42.81,-15.81,;41.47,-16.56,;41.45,-18.1,;40.1,-18.86,;38.78,-18.07,;44.18,-11.99,;42.85,-11.21,;42.86,-9.68,;44.2,-8.91,;45.53,-9.68,;45.52,-11.23,;42.88,-8.14,;42.88,-6.6,;41.55,-5.83,;40.21,-6.59,;38.88,-5.81,;44.22,-5.85,;45.54,-6.62,;46.87,-5.84,;48.2,-6.6,;48.21,-8.15,;46.87,-8.93,;45.53,-8.16,)|
COc1cc2CCN(Cc2cc1OC)[C@H]1CCC2(CC1)O[C@@H](CCF)Cc1ccccc21 |r,wU:21.24,14.15,(45.53,-43.88,;44.2,-43.09,;44.22,-41.55,;45.56,-40.8,;45.58,-39.27,;46.92,-38.51,;46.94,-36.96,;45.61,-36.19,;44.26,-36.94,;44.25,-38.47,;42.91,-39.22,;42.89,-40.76,;41.54,-41.51,;40.22,-40.73,;45.62,-34.65,;44.29,-33.87,;44.3,-32.34,;45.64,-31.57,;46.97,-32.34,;46.96,-33.89,;44.32,-30.8,;44.33,-29.27,;43,-28.49,;41.66,-29.25,;40.33,-28.47,;45.66,-28.51,;46.98,-29.28,;48.31,-28.5,;49.64,-29.26,;49.65,-30.82,;48.31,-31.59,;46.98,-30.82,)|
CO[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)NCCCc2cn(-c3ccc(F)cc3)c3ccccc23)O1 |r,wU:13.17,wD:2.1,(56.3,-6.25,;57.64,-5.48,;58.97,-6.26,;60.31,-5.5,;61.63,-6.28,;62.96,-5.5,;64.29,-6.26,;64.3,-7.81,;62.96,-8.58,;61.62,-7.81,;60.29,-8.57,;58.95,-9.33,;58.94,-10.87,;60.27,-11.65,;61.61,-10.89,;61.62,-9.34,;60.26,-13.19,;58.91,-13.94,;58.9,-15.47,;57.56,-16.23,;57.55,-17.77,;58.8,-18.69,;58.31,-20.15,;59.21,-21.4,;58.57,-22.8,;59.46,-24.06,;61,-23.91,;61.9,-25.16,;61.63,-22.49,;60.73,-21.25,;56.77,-20.14,;55.74,-21.27,;54.25,-20.95,;53.78,-19.48,;54.81,-18.35,;56.31,-18.68,;58.97,-7.8,)|
CO[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)NCCCc2cn(-c3ccc(F)cc3)c3ccccc23)O1 |r,wU:2.1,13.17,(58.54,-28.7,;59.88,-27.94,;61.21,-28.72,;62.55,-27.96,;63.87,-28.73,;65.19,-27.95,;66.53,-28.71,;66.53,-30.27,;65.2,-31.04,;63.86,-30.27,;62.53,-31.03,;61.19,-31.79,;61.18,-33.32,;62.5,-34.1,;63.84,-33.34,;63.86,-31.79,;62.49,-35.64,;61.15,-36.39,;61.14,-37.93,;59.8,-38.69,;59.79,-40.23,;61.03,-41.14,;60.55,-42.61,;61.44,-43.85,;60.8,-45.26,;61.7,-46.51,;63.24,-46.36,;64.14,-47.61,;63.87,-44.95,;62.97,-43.7,;59.01,-42.6,;57.98,-43.72,;56.48,-43.4,;56.01,-41.93,;57.05,-40.8,;58.55,-41.13,;61.2,-30.25,)|
CO[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)NC2CCc3ccccc3CC2)O1 |r,wU:13.17,wD:2.1,(9.67,-3.49,;11.01,-2.73,;12.34,-3.5,;13.67,-2.75,;14.99,-3.52,;16.31,-2.74,;17.65,-3.5,;17.66,-5.05,;16.32,-5.83,;14.98,-5.05,;13.65,-5.81,;12.31,-6.58,;12.3,-8.11,;13.63,-8.89,;14.97,-8.13,;14.98,-6.58,;13.62,-10.43,;12.27,-11.18,;12.35,-12.71,;11.21,-13.75,;9.7,-13.51,;8.91,-14.83,;7.38,-14.82,;6.61,-13.47,;7.4,-12.14,;8.94,-12.16,;9.52,-10.73,;11,-10.29,;12.33,-5.04,)|
CO[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)NC2CCc3ccccc3CC2)O1 |r,wU:2.1,13.17,(11.9,-25.92,;13.24,-25.16,;14.56,-25.94,;15.9,-25.18,;17.22,-25.95,;18.54,-25.17,;19.88,-25.94,;19.88,-27.49,;18.55,-28.26,;17.21,-27.49,;15.88,-28.25,;14.54,-29.01,;14.53,-30.54,;15.86,-31.32,;17.2,-30.56,;17.21,-29.02,;15.85,-32.86,;14.5,-33.61,;14.59,-35.15,;13.45,-36.18,;11.93,-35.95,;11.15,-37.27,;9.61,-37.26,;8.85,-35.91,;9.64,-34.58,;11.18,-34.6,;11.76,-33.17,;13.24,-32.73,;14.56,-27.48,)|
FCC[C@@H]1Cc2ccccc2C2(CC[C@@H](CC2)NC2CCc3ccccc3CC2)O1 |r,wU:14.18,wD:3.2,(25.4,-2.83,;26.73,-3.61,;28.07,-2.85,;29.4,-3.63,;30.74,-2.87,;32.05,-3.64,;33.38,-2.86,;34.71,-3.63,;34.72,-5.18,;33.38,-5.95,;32.05,-5.18,;30.71,-5.94,;29.38,-6.7,;29.37,-8.23,;30.69,-9.01,;32.03,-8.25,;32.04,-6.7,;30.68,-10.55,;29.34,-11.3,;29.42,-12.83,;28.27,-13.87,;26.76,-13.63,;25.98,-14.95,;24.44,-14.94,;23.68,-13.59,;24.47,-12.26,;26.01,-12.28,;26.58,-10.85,;28.06,-10.42,;29.39,-5.16,)|
FCC[C@H]1Cc2ccccc2C2(CC[C@@H](CC2)NC2CCc3ccccc3CC2)O1 |r,wU:3.2,14.18,(27.17,-25.45,;28.5,-26.22,;29.83,-25.46,;31.16,-26.24,;32.5,-25.48,;33.82,-26.25,;35.14,-25.48,;36.48,-26.24,;36.48,-27.79,;35.15,-28.56,;33.81,-27.79,;32.48,-28.55,;31.14,-29.31,;31.13,-30.84,;32.46,-31.62,;33.79,-30.86,;33.81,-29.32,;32.45,-33.16,;31.1,-33.91,;31.19,-35.45,;30.05,-36.49,;28.53,-36.25,;27.75,-37.57,;26.21,-37.56,;25.45,-36.21,;26.24,-34.88,;27.78,-34.9,;28.36,-33.47,;29.84,-33.03,;31.16,-27.78,)|
C[C@@H](C(c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3
C[C@@H]1[C@H](O)c2ccccc2CCN1CCCCc1ccccc1 |r|
C[C@@H]1[C@H](O)c2ccccc2CCN1CCCCCc1ccccc1 |r|
OC1CN(CCCCc2ccccc2)CCc2ccccc12
OC1CN(CCCCc2ccccc2)CCc2cc(O)ccc12
C[C@@H]1[C@H](O)c2ccccc2CCN1Cc1ccccc1 |r|
C[C@@H]1[C@H](O)c2ccc(O)cc2CCN1CCCCc1ccccc1 |r|
NCCCCCCn1cc(CCCCN2CCC(CC2)c2ccc(cc2)-c2cc(cc3cc(ccc23)-c2ccc(cc2)C(F)(F)F)C(O)=O)nn1
OC1CN(CCCCCc2ccccc2)CCc2ccccc12
OC1CN(CCc2ccccc2)CCc2ccccc12
OC1CN(CCCCOc2ccccc2)CCc2ccccc12
COc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C(O)C1
OC1CN(CCc2ccccc12)C1CCC(CC1)c1ccccc1 |(22.78,-23.04,;23.13,-24.54,;24.65,-24.87,;25.32,-26.27,;24.65,-27.68,;23.13,-28.03,;21.91,-27.06,;20.58,-27.83,;19.25,-27.06,;19.25,-25.52,;20.58,-24.75,;21.92,-25.51,;26.86,-26.27,;27.62,-27.6,;29.16,-27.6,;29.93,-26.27,;29.16,-24.94,;27.62,-24.93,;31.46,-26.28,;32.23,-27.62,;33.77,-27.62,;34.54,-26.29,;33.77,-24.95,;32.23,-24.95,)|
OC1CN(Cc2ccc(cc2)-c2ccccc2)CCc2ccccc12
C(CCc1ccccc1)CN1CCc2ccccc2CC1
C(N1CCc2ccccc2CC1)c1ccc(cc1)-c1ccccc1
OC1CN(CCc2ccccc2)CCc2ccc(cc12)[N+]([O-])=O
OC1CN(CCCc2ccccc2)CCc2ccc(cc12)[N+]([O-])=O
OC1CN(CCCCOc2ccccc2)CCc2ccc(cc12)[N+]([O-])=O
OC1CN(CCc2ccc(cc12)[N+]([O-])=O)C1CCC(CC1)c1ccccc1 |(22.78,-23.04,;23.13,-24.54,;24.65,-24.87,;25.32,-26.27,;24.65,-27.68,;23.13,-28.03,;21.91,-27.06,;20.58,-27.83,;19.25,-27.06,;19.25,-25.52,;20.58,-24.75,;21.92,-25.51,;17.92,-24.75,;17.92,-23.21,;16.59,-25.51,;26.86,-26.27,;27.62,-27.6,;29.16,-27.6,;29.93,-26.27,;29.16,-24.94,;27.62,-24.93,;31.46,-26.28,;32.23,-27.62,;33.77,-27.62,;34.54,-26.29,;33.77,-24.95,;32.23,-24.95,)|
OC1CN(Cc2ccc(cc2F)-c2ccccc2)CCc2ccc(cc12)[N+]([O-])=O
Nc1ccc2CCN(CCCCCc3ccccc3)CC(O)c2c1
OC1CN(CCCC(=O)c2ccc(F)cc2)CCc2ccccc12
OC1CN(CCc2ccccc12)C1CCN(Cc2ccccc2)CC1
OC1CN(Cc2ccccc2)CCc2ccc(cc12)[N+]([O-])=O
OC1CN(CCCCCc2ccccc2)CCc2ccc(cc12)[N+]([O-])=O
Nc1ccc2CCN(CCCCc3ccccc3)CC(O)c2c1
C(CCN1CCc2ccccc2CC1)CCc1ccccc1
OC1CN(CCCCc2ccccc2)CCc2ccc(cc12)[N+]([O-])=O
OC1CN(CCc2ccccc12)C1CCN(CC1)C(=O)c1ccccc1
Cc1cn(CN2CCN(CCc3ccccc3)CC2)c2ccccc12
Fc1ccccc1N1CCN(CCCn2ccc3ccccc23)CC1
OC1CC23CCCCC2(C1)CN(Cc1ccccc1)CC3
C(N1CCC23CCCC2(CCCC3)C1)c1ccccc1
C(N1CCC2(CCCc3ccccc23)CC1)c1ccccc1
COc1ccc(CN2CC[Si]3(CCCc4ccccc34)CC2)cc1
CC(C)CCN1CCC2(CCCc3ccccc23)CC1
C(N1CC[Si]2(CCCc3ccccc23)CC1)c1ccccc1
COc1ccc(CN2CCC3(CCCc4ccccc34)CC2)cc1
C(Cc1ccccc1)N1CCC2(CCCc3ccccc23)CC1
C(Cc1ccccc1)N1CC[Si]2(CCCc3ccccc23)CC1
CC(C)CCN1CC[Si]2(CCCc3ccccc23)CC1
CN(C)C(=S)N\N=C1/CN(CCCCN2CCN(CC2)C2CCCCC2)c2ccccc12
CN(C)C(=S)N\N=C1/CNc2ccccc12
COc1cc2CCN(CCCCN3C\C(=N/NC(=S)N(C)C)c4ccccc34)C(=O)c2cc1OC
NC(=S)N\N=C1/CNc2ccccc12
CCCCCN1CCN(CC1)C1CCCCC1
COc1cc2CCN(CCCCN3C\C(=N/NC(=S)N(C)C)c4ccccc34)Cc2cc1OC
CCCCCN1CCc2cc(OC)c(OC)cc2C1
Oc1ccc2CCC(CCc2c1)NCCCc1ccccc1
OCc1ccc2CCC(CCc2c1)NCCCCc1ccccc1
OCc1ccc2CCC(CCc2c1)NCCCc1ccccc1
Oc1ccc2CCC(CCc2c1)NCCCCc1ccccc1
CCCCCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(C)=O
CC(=O)N(CC1CCCCC1)CC1CCN(Cc2ccc(Cl)cc2Cl)CC1
CCCN(CC1CCN(Cc2ccc(Cl)cc2Cl)CC1)C(C)=O
CCCCCN(CC1CCN(Cc2ccccc2)CC1)C(C)=O
CC(=O)N(CC1CCCCC1)CC1CCN(Cc2ccc(Cl)cc2)CC1
CCCCN(CC1CCN(Cc2ccccc2)CC1)C(C)=O
CCN(CC1CCN(Cc2ccccc2)CC1)C(C)=O
CCCCCN(CC1CCN(Cc2ccc(Cl)cc2Cl)CC1)C(C)=O
CCCCN(CC1CCN(Cc2ccc(Cl)cc2Cl)CC1)C(C)=O
CCN(CC1CCN(Cc2ccc(Cl)cc2Cl)CC1)C(C)=O
CCCCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(C)=O
CCCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(C)=O
COc1ccc2cc(ccc2c1)C(=O)CN1CCC(Cc2ccccc2)CC1
O=C(CCN1CCOCC1)c1ccccc1
O=C(CCCN1CCC(Cc2ccccc2)CC1)c1ccc(cc1)-c1ccccc1
COc1cccc(c1)C(=O)CN1CCC(Cc2ccccc2)CC1
COc1ccc(cc1)C(=O)CN1CCC(Cc2ccccc2)CC1
O=C(CCN1CCOCC1)c1ccc2ccccc2c1
O=C(CN1CCC(Cc2ccccc2)CC1)c1ccc(cc1)-c1ccccc1
O=C(CCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1
O=C(CCN1CCCCC1)c1ccc(cc1)-c1ccccc1
COc1cccc(c1)C(=O)CCCN1CCC(Cc2ccccc2)CC1
C[C@H](CCN1CCCCC1)c1ccc(cc1)-c1ccccc1 |r|
O=C(CN1CCC(Cc2ccccc2)CC1)c1ccccc1
O=C(CCN1CCC(Cc2ccccc2)CC1)c1ccc(cc1)-c1ccccc1
O=C(CCN1CCOCC1)c1ccc(cc1)-c1ccccc1
O=C(CN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1
O=C(CCN1CCC(Cc2ccccc2)CC1)c1ccccc1
COc1ccc(cc1)C(=O)CCN1CCC(Cc2ccccc2)CC1
O=C(CCN1CCCCC1)c1ccccc1
COc1ccc(cc1)C(=O)CCN1CCCCC1
O=C(CCN1CCCCC1)c1ccc2ccccc2c1
COc1ccc(cc1)C(=O)CCN1CCOCC1
O=C(CCCN1CCC(Cc2ccccc2)CC1)c1ccccc1
COc1ccc(cc1)C(=O)CCCN1CCC(Cc2ccccc2)CC1
O=C(CCCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1
COc1ccc2cc(ccc2c1)C(=O)CCCN1CCC(Cc2ccccc2)CC1
Oc1ccc2oc(cc(=O)c2c1)C(=O)NCCCC1CCN(Cc2ccccc2)CC1
[O-][N+](=O)c1ccc2oc(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Nc1ccc2oc(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1ccc2[nH]c(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Oc1cccc2c1[nH]c(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1cc2[nH]c(cc(=O)c2cc1OC)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1ccc2c(c1)[nH]c(cc2=O)C(=O)NCCC1CCN(Cc2ccccc2)CC1
COc1cc2oc(cc(=O)c2cc1OC)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Oc1ccc2oc(cc(=O)c2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
Oc1cc2oc(cc(=O)c2cc1O)C(=O)NCCC1CCN(Cc2ccccc2)CC1
C(CNC1CCc2cccnc2CC1)Cc1ccccc1
CN(CCCCc1ccccc1)C1CCc2cccnc2CC1
CN(CCCc1ccccc1)C1CCc2cccnc2CC1
C(CCc1ccccc1)CNC1CCc2cccnc2CC1
C(NC1CCc2cccnc2CC1)c1ccccc1
CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12
COc1ccc(cc1)CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(cc5)F
CCN(CC)CCC[C@@H](C)Nc1ccnc2c1ccc(c2)Cl
CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 |r|
CCCN1CCC=C(C1)c1cc(no1)-c1ccc(C)cc1 |c:6|
O=c1oc(nn1CCCCN1CCC2(CC1)OCc1ccccc21)-c1ccccc1
O=C1CCc2ccccc2N1CCCCN1CCN(CC1)c1ccccn1
O=c1oc(nn1CCCCN1CCN(CC1)C1CCCCC1)-c1ccccc1
Fc1ccc(cc1)N1CCN(CCCCn2nc(oc2=O)-c2ccccc2)CC1
COc1cc2CCN(CCCCn3nc(oc3=O)-c3ccccc3)Cc2cc1OC
CN(CCCCn1nc(oc1=O)-c1ccccc1)Cc1ccc(C)cc1C
O=C1CCc2ccccc2N1CCCCN1CCC2(CC1)OCc1ccccc21
COc1cc2CCN(CCCCN3C(=O)CCc4ccccc34)Cc2cc1OC
[O-][N+](=O)c1ccc2CCN(CCCCN3C(=O)CCc4ccccc34)Cc2c1
C[C@@H]([C@H](O)N1CCC(Cc2ccccc2)CC1)c1ccc(O)cc1 |r|
O=C1CCc2ccccc2N1CCCCN1CCN(CC1)C1CCCCC1
CN(CCCCN1C(=O)CCc2ccccc12)Cc1ccc(C)cc1C
O=c1oc(nn1CCCCN1CCN(CC1)c1ccccn1)-c1ccccc1
Fc1ccc(cc1)N1CCN(CCCCN2C(=O)CCc3ccccc23)CC1
[O-][N+](=O)c1ccc2CCN(CCCCn3nc(oc3=O)-c3ccccc3)Cc2c1
CC[C@H]1c2ccccc2N(C[C@@]1(C)N)c1ccccc1 |r|
CC[C@H]1c2ccc(O)cc2OC[C@@]1(C)N |r|
[H][C@@]12CCN(C(C)=O)[C@]1(C)COc1c(cccc21)-c1ccccc1 |r|
[H][C@@]12CCN(C)[C@]1(C)CN(c1ccccc1)c1ccccc21 |r|
CC[C@H]1c2cc(OC)ccc2OC[C@@]1(C)N |r|
[H][C@@]12CCN[C@]1(C)COc1ccc(OC)cc21 |r|
[H][C@@]12CCN[C@]1(C)COc1cc(OCc3ccccc3)ccc21 |r|
[H][C@@]12CCN[C@]1(C)COc1cc(O)ccc21 |r|
[H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
[H][C@@]12CCN(C)[C@]1(C)COc1c(cccc21)-c1ccccc1 |r|
[H][C@@]12CCN[C@]1(C)COc1c(Br)cccc21 |r|
[H][C@@]12CCN[C@]1(C)CN(c1ccccc1)c1ccccc21 |r|
[H][C@@]12CCN(C(C)=O)[C@]1(C)CN(c1ccccc1)c1ccccc21 |r|
CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N |r|
[H][C@@]12CCN[C@]1(C)COc1ccc(cc21)-c1ccccc1 |r|
CC[C@H]1c2ccc3ccccc3c2OC[C@@]1(C)N |r|
CC[C@H]1c2cc(C)ccc2OC[C@@]1(C)N |r|
[H][C@@]12CCN(C)[C@]1(C)COc1cc(O)ccc21 |r|
[H][C@@]12CCN[C@]1(C)COc1c(cccc21)-c1ccccc1 |r|
[H][C@@]12CCN[C@]1(C)CN(c1ccc(C)cc1)c1ccc(C)cc21 |r|
[H][C@@]12CCN[C@]1(C)COc1cc(C)cc(C)c21 |r|
CC[C@H]1c2c(OC[C@@]1(C)N)ccc1ccccc21 |r|
[H][C@@]12CCN(C(C)=O)[C@]1(C)COc1cc(O)ccc21 |r|
CC[C@H]1c2cc(ccc2OC[C@@]1(C)N)-c1ccccc1 |r|
[H][C@@]12CCN[C@]1(C)CN(c1ccc(Br)cc1)c1ccc(Br)cc21 |r|
CN(CCCc1ccccc1)C1CCc2ccccc2C(O)C1
OC1CC(CCc2ccccc12)NCCCc1ccccc1
CN(CCCCc1ccccc1)C1CCc2ccccc2C(O)C1
OC1Cc2ccccc2CCC1NCCCc1ccccc1
OC1C(CCc2ccccc2C1O)NCCCc1ccccc1
OC1CC(CCc2ccccc12)NCCCCc1ccccc1
OC1Cc2ccccc2CCC1NCCCCc1ccccc1
C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 |r|
COc1ccc2C(O)CN(CCCCc3cccs3)CCc2c1
COc1ccc2C(O)CN(CCCC#Cc3ccccc3)CCc2c1
COc1ccc2C(O)CN(CCCCc3ccccc3)CCc2c1
OC1CN(CCCCc2ccc(OCCF)cc2)CCc2cc(O)ccc12
Cc1ccccc1N(C(N)=N)c1ccccc1C
COc1ccc2C(O)CN(CCCCc3cccnc3)CCc2c1
COc1ccc2C(O)CN(CCCCc3ccccc3OCCF)CCc2c1
[H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC(C3CCCC3)C3CCCC3)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc(n1)C(N)=O |r|
CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(C3CCC3)C3CCC3)ncnc12 |r|
[H][C@]12CC[C@]([H])(C1)[C@H](C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O |r,TLB:9:7:3.2:6|
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1
[H][C@]12C[C@@]1(CCl)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N)nc(Cl)nc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)ncnc12 |r|
[H][C@]12C[C@@]1(CSc1ccccc1F)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12 |r|
CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
[H][C@]12C[C@@]1(CCl)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12 |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)nc(Cl)nc12)C(=O)OCC |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(O)=O |r|
[H][C@]12C[C@@]1(CCl)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CCC3)C3CCC3)ncnc12 |r|
[H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc(n1)C(=O)OC |r|
O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(NC(C3CCC3)C3CCC3)ncnc12 |r|
[H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2CCCC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
[H][C@]12CCC[C@H](N3CCCC3)[C@@]1([H])N(CCN2CCC)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
COC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)NCC2CCCCC2)O1 |r,wU:10.26,wD:13.17,(15.73,-32.02,;14.4,-32.79,;14.39,-34.32,;15.72,-35.1,;15.72,-36.64,;17.04,-37.41,;17.04,-38.94,;15.7,-39.7,;14.41,-38.93,;14.39,-37.4,;13.06,-36.64,;13.07,-38.18,;11.73,-38.96,;10.39,-38.19,;10.39,-36.64,;11.72,-35.87,;9.05,-38.96,;7.71,-38.19,;6.38,-38.96,;5.05,-38.19,;3.71,-38.95,;3.7,-40.5,;5.04,-41.27,;6.38,-40.51,;13.06,-35.1,)|
C(N[C@H]1CC[C@@]2(CC1)OCCc1ccccc21)C1CCCCC1 |r,wU:5.8,wD:2.1,(10.45,-11.59,;9.12,-10.81,;9.14,-9.27,;10.47,-8.5,;10.49,-6.96,;9.16,-6.19,;7.82,-6.95,;7.81,-8.49,;10.51,-5.43,;10.52,-3.87,;9.17,-3.09,;7.83,-3.87,;6.49,-3.1,;5.16,-3.87,;5.16,-5.42,;6.5,-6.19,;7.83,-5.42,;11.79,-10.83,;13.11,-11.61,;14.45,-10.86,;14.47,-9.32,;13.14,-8.53,;11.79,-9.29,)|
C(N[C@H]1CC[C@]2(CC1)OC=Cc1ccccc21)C1CCCCC1 |r,wU:5.8,2.1,c:10,(26.45,-7.28,;27.78,-8.06,;29.12,-7.28,;29.12,-5.74,;30.45,-4.97,;31.8,-5.74,;31.8,-7.28,;30.46,-8.06,;31.8,-4.19,;33.13,-3.42,;34.45,-4.19,;34.45,-5.74,;35.77,-6.51,;35.77,-8.03,;34.44,-8.8,;33.15,-8.03,;33.13,-6.5,;25.11,-8.06,;23.78,-7.28,;22.45,-8.05,;22.44,-9.59,;23.77,-10.37,;25.11,-9.6,)|
CN(CC1CCCCC1)[C@H]1CC[C@@]2(CC1)OCCc1ccccc21 |r,wU:12.16,wD:9.9,(37,-10.98,;38.34,-10.22,;39.67,-11,;41.01,-10.24,;42.33,-11.03,;43.67,-10.28,;43.68,-8.73,;42.36,-7.95,;41.01,-8.71,;38.35,-8.68,;39.69,-7.92,;39.7,-6.38,;38.37,-5.61,;37.04,-6.37,;37.03,-7.9,;39.73,-4.84,;39.73,-3.29,;38.39,-2.5,;37.05,-3.28,;35.71,-2.52,;34.38,-3.29,;34.38,-4.84,;35.71,-5.61,;37.04,-4.84,)|
CN(CC1CCCCC1)[C@H]1CC[C@@]2(CC1)OC=Cc1ccccc21 |r,wU:12.16,wD:9.9,c:18,(46.76,-9.4,;46.76,-7.86,;45.43,-7.09,;44.09,-7.86,;42.76,-7.09,;41.42,-7.86,;41.42,-9.4,;42.75,-10.17,;44.09,-9.41,;48.1,-7.09,;49.44,-7.86,;50.78,-7.09,;50.77,-5.54,;49.43,-4.78,;48.1,-5.54,;50.77,-4,;52.11,-3.23,;53.43,-4,;53.43,-5.54,;54.75,-6.31,;54.75,-7.84,;53.42,-8.6,;52.13,-7.84,;52.11,-6.31,)|
CN(CC1CCCCC1)[C@H]1CC[C@]2(CC1)OC=Cc1ccccc21 |r,wU:12.16,9.9,c:18,(66.87,-9.22,;66.87,-7.68,;65.54,-6.91,;64.2,-7.68,;62.87,-6.91,;61.54,-7.68,;61.53,-9.22,;62.87,-9.99,;64.2,-9.23,;68.21,-6.91,;68.21,-5.36,;69.54,-4.6,;70.89,-5.37,;70.9,-6.91,;69.55,-7.69,;70.89,-3.82,;72.22,-3.05,;73.54,-3.82,;73.54,-5.37,;74.86,-6.13,;74.86,-7.66,;73.53,-8.42,;72.24,-7.66,;72.22,-6.13,)|
CCOC1Cc2ccccc2[C@]2(CC[C@@H](CC2)NCC2CCCCC2)O1 |r,wU:11.27,14.18,(35.12,-14.23,;35.12,-15.76,;33.79,-16.53,;33.78,-18.06,;35.11,-18.84,;35.11,-20.38,;36.43,-21.15,;36.43,-22.68,;35.1,-23.44,;33.8,-22.68,;33.79,-21.15,;32.45,-20.38,;31.11,-19.61,;29.78,-20.38,;29.77,-21.93,;31.12,-22.7,;32.46,-21.93,;28.44,-22.7,;27.1,-21.93,;25.76,-22.7,;24.43,-21.93,;23.1,-22.7,;23.09,-24.24,;24.43,-25.01,;25.76,-24.25,;32.45,-18.84,)|
CCOC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)N(C)CC2CCCCC2)O1 |r,wU:11.28,wD:14.18,(55.51,-14.64,;55.5,-16.18,;54.17,-16.94,;54.17,-18.48,;55.5,-19.25,;55.5,-20.8,;56.82,-21.57,;56.82,-23.09,;55.48,-23.86,;54.19,-23.09,;54.17,-21.56,;52.84,-20.8,;52.85,-22.34,;51.5,-23.12,;50.16,-22.34,;50.16,-20.8,;51.49,-20.03,;48.82,-23.12,;48.82,-24.66,;47.48,-22.34,;46.15,-23.12,;44.82,-22.34,;43.48,-23.11,;43.47,-24.66,;44.81,-25.43,;46.15,-24.66,;52.84,-19.25,)|
COC1Cc2ccccc2[C@]2(CC[C@@H](CC2)NCC2CCCCC2)O1 |r,wU:10.26,13.17,(34.21,-31.18,;32.88,-31.94,;32.88,-33.48,;34.2,-34.25,;34.2,-35.8,;35.52,-36.56,;35.52,-38.09,;34.19,-38.85,;32.9,-38.09,;32.88,-36.56,;31.55,-35.8,;30.21,-35.03,;28.87,-35.8,;28.87,-37.34,;30.21,-38.12,;31.56,-37.34,;27.53,-38.12,;26.2,-37.34,;24.86,-38.12,;23.53,-37.34,;22.2,-38.11,;22.19,-39.65,;23.53,-40.42,;24.86,-39.66,;31.55,-34.25,)|
COC1Cc2ccccc2[C@]2(CC[C@@H](CC2)N(C)CC2CCCCC2)O1 |r,wU:10.27,13.17,(74.64,-30.02,;73.31,-30.78,;73.31,-32.32,;74.63,-33.09,;74.63,-34.63,;75.95,-35.4,;75.95,-36.93,;74.62,-37.69,;73.33,-36.93,;73.31,-35.4,;71.98,-34.63,;70.63,-33.87,;69.3,-34.63,;69.3,-36.18,;70.64,-36.95,;71.99,-36.18,;67.96,-36.95,;67.96,-38.49,;66.63,-36.18,;65.29,-36.95,;63.96,-36.18,;62.62,-36.95,;62.62,-38.49,;63.95,-39.26,;65.29,-38.5,;71.98,-33.09,)|
COC1O[C@]2(CC[C@@H](CC2)NCC2CCCCC2)c2ccccc12 |r,wU:4.3,wD:7.10,(10.85,-45.5,;9.34,-45.82,;8.88,-47.29,;9.79,-48.53,;8.89,-49.78,;10.38,-50.18,;10.77,-51.67,;9.67,-52.76,;8.19,-52.35,;7.79,-50.87,;10.06,-54.25,;11.55,-54.65,;12.64,-53.57,;14.12,-53.99,;15.22,-52.91,;14.83,-51.42,;13.35,-51.01,;12.25,-52.09,;7.42,-49.32,;6.08,-50.1,;4.75,-49.33,;4.75,-47.78,;6.08,-47.01,;7.41,-47.78,)|
COC1O[C@]2(CC[C@@H](CC2)N(C)CC2CCCCC2)c2ccccc12 |r,wU:4.3,wD:7.10,(48,-45.42,;46.5,-45.75,;46.03,-47.21,;46.94,-48.45,;46.04,-49.7,;47.53,-50.1,;47.92,-51.59,;46.83,-52.68,;45.34,-52.27,;44.95,-50.79,;47.22,-54.17,;46.12,-55.25,;48.7,-54.58,;49.79,-53.49,;51.28,-53.91,;52.37,-52.84,;51.98,-51.35,;50.5,-50.94,;49.4,-52.02,;44.57,-49.24,;43.23,-50.02,;41.9,-49.25,;41.9,-47.7,;43.23,-46.93,;44.57,-47.7,)|
COC1O[C@@]2(CC[C@@H](CC2)N(C)CC2CCCCC2)c2ccccc12 |r,wU:4.3,7.10,(63.79,-45.21,;62.29,-45.54,;61.82,-47,;62.73,-48.24,;61.83,-49.49,;60.74,-50.58,;61.13,-52.06,;62.62,-52.47,;63.71,-51.39,;63.32,-49.89,;63.01,-53.96,;61.92,-55.04,;64.49,-54.37,;65.59,-53.28,;67.07,-53.7,;68.16,-52.63,;67.78,-51.14,;66.29,-50.73,;65.19,-51.81,;60.37,-49.03,;59.03,-49.81,;57.69,-49.04,;57.7,-47.49,;59.02,-46.72,;60.36,-47.49,)|
CN(CC1CCCCC1)[C@H]1CC[C@]2(CC1)OCCc1ccccc21 |r,wU:12.16,9.9,(52.67,-10.46,;54.01,-9.7,;55.34,-10.48,;56.68,-9.72,;58,-10.51,;59.33,-9.75,;59.35,-8.21,;58.02,-7.43,;56.68,-8.19,;54.02,-8.16,;52.69,-7.38,;52.7,-5.85,;54.04,-5.09,;55.37,-5.86,;55.36,-7.4,;55.4,-4.32,;55.4,-2.77,;54.05,-1.98,;52.71,-2.76,;51.38,-2,;50.05,-2.77,;50.05,-4.31,;51.38,-5.08,;52.71,-4.32,)|
COC1O[C@@]2(CC[C@@H](CC2)NCc2ccccc2)c2ccccc12 |r,wU:4.3,7.10,(73.08,-17.88,;71.58,-18.21,;71.11,-19.67,;72.02,-20.92,;71.12,-22.16,;70.02,-23.25,;70.42,-24.74,;71.9,-25.14,;73,-24.06,;72.61,-22.56,;72.3,-26.63,;73.78,-27.04,;74.87,-25.96,;76.36,-26.37,;77.45,-25.28,;77.06,-23.79,;75.57,-23.39,;74.48,-24.48,;69.65,-21.7,;68.31,-22.48,;66.98,-21.71,;66.98,-20.17,;68.31,-19.4,;69.65,-20.16,)|
C(N[C@H]1CC[C@]2(CC1)OCCc1ccccc21)c1ccccc1 |r,wU:5.8,2.1,(24.89,-41.9,;23.56,-41.12,;23.57,-39.58,;22.25,-38.8,;22.26,-37.26,;23.6,-36.5,;24.92,-37.27,;24.91,-38.81,;24.94,-35.73,;24.94,-34.19,;23.6,-33.41,;22.27,-34.18,;20.93,-33.42,;19.6,-34.19,;19.6,-35.74,;20.93,-36.51,;22.26,-35.73,;26.23,-41.14,;27.56,-41.92,;28.89,-41.16,;28.91,-39.62,;27.57,-38.84,;26.23,-39.6,)|
CCOC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)NCC2CCCCC2)O1 |r,wU:11.27,wD:14.18,(17.1,-15.49,;17.1,-17.03,;15.76,-17.8,;15.76,-19.33,;17.09,-20.11,;17.09,-21.65,;18.41,-22.42,;18.41,-23.95,;17.07,-24.71,;15.78,-23.94,;15.76,-22.41,;14.43,-21.65,;14.44,-23.19,;13.09,-23.97,;11.75,-23.2,;11.75,-21.65,;13.09,-20.88,;10.41,-23.97,;9.08,-23.2,;7.74,-23.97,;6.41,-23.2,;5.07,-23.97,;5.07,-25.51,;6.4,-26.28,;7.74,-25.52,;14.43,-20.11,)|
CCOC1Cc2ccccc2[C@]2(CC[C@@H](CC2)N(C)CC2CCCCC2)O1 |r,wU:11.28,14.18,(75.11,-13.93,;75.11,-15.46,;73.78,-16.23,;73.77,-17.76,;75.1,-18.54,;75.1,-20.08,;76.42,-20.85,;76.42,-22.38,;75.09,-23.14,;73.79,-22.37,;73.77,-20.85,;72.44,-20.08,;71.1,-19.31,;69.77,-20.08,;69.76,-21.63,;71.11,-22.4,;72.45,-21.63,;68.43,-22.4,;68.43,-23.94,;67.09,-21.63,;65.75,-22.4,;64.42,-21.63,;63.09,-22.4,;63.08,-23.94,;64.42,-24.71,;65.75,-23.95,;72.44,-18.54,)|
COC1O[C@@]2(CC[C@@H](CC2)NCC2CCCCC2)c2ccccc12 |r,wU:4.3,7.10,(28.22,-45.43,;26.71,-45.76,;26.25,-47.23,;27.16,-48.47,;26.26,-49.72,;25.16,-50.8,;25.55,-52.29,;27.04,-52.7,;28.14,-51.61,;27.75,-50.11,;27.43,-54.19,;28.92,-54.59,;30.01,-53.51,;31.49,-53.93,;32.58,-52.85,;32.2,-51.36,;30.72,-50.95,;29.61,-52.03,;24.79,-49.25,;23.45,-50.03,;22.12,-49.26,;22.12,-47.72,;23.45,-46.95,;24.78,-47.71,)|
C(N[C@H]1CC[C@]2(CC1)OCCc1ccccc21)C1CCCCC1 |r,wU:5.8,2.1,(24.26,-11.23,;22.93,-10.45,;22.94,-8.91,;21.62,-8.13,;21.63,-6.6,;22.96,-5.83,;24.29,-6.6,;24.28,-8.15,;24.32,-5.07,;24.32,-3.51,;22.98,-2.73,;21.64,-3.51,;20.3,-2.75,;18.97,-3.52,;18.97,-5.06,;20.3,-5.83,;21.63,-5.06,;25.6,-10.47,;26.92,-11.26,;28.25,-10.5,;28.27,-8.96,;26.95,-8.18,;25.6,-8.93,)|
COC1Cc2ccccc2[C@]2(CC[C@@H](CC2)NCc2ccccc2)O1 |r,wU:10.26,13.17,(37.38,4.22,;36.04,3.45,;36.04,1.91,;37.37,1.13,;37.36,-.41,;38.68,-1.17,;38.68,-2.69,;37.35,-3.46,;36.04,-2.69,;36.04,-1.16,;34.7,-.4,;33.44,-.81,;31.8,-.19,;31.03,-1.54,;32.22,-1.12,;33.94,-1.74,;29.69,-.78,;29.68,.77,;28.35,1.54,;28.36,3.09,;27.02,3.86,;25.68,3.09,;25.69,1.53,;27.02,.77,;34.7,1.14,)|
COC1Cc2ccccc2[C@]2(CC[C@@H](CC2)N(C)Cc2ccccc2)O1 |r,wU:10.27,13.17,(13.82,-18.64,;12.48,-19.41,;12.48,-20.95,;13.81,-21.73,;13.81,-23.27,;15.12,-24.03,;15.12,-25.55,;13.79,-26.32,;12.47,-25.55,;12.48,-24.03,;11.14,-23.26,;9.87,-23.68,;8.23,-23.05,;7.47,-24.41,;8.65,-23.99,;10.38,-24.6,;6.13,-23.64,;4.79,-24.41,;6.13,-22.09,;7.47,-21.32,;8.8,-22.1,;10.13,-21.32,;10.13,-19.77,;8.79,-19.01,;7.45,-19.78,;11.14,-21.73,)|
COC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)NCc2ccccc2)O1 |r,wU:10.26,wD:13.17,(24.78,6.63,;23.43,5.86,;23.43,4.32,;24.77,3.54,;24.76,2,;26.08,1.24,;26.08,-.29,;24.75,-1.06,;23.42,-.29,;23.43,1.24,;22.09,2,;21.33,.65,;19.6,1.28,;18.41,.86,;19.18,2.21,;20.82,1.59,;18.41,-.69,;19.75,-1.47,;19.74,-3.01,;18.4,-3.77,;18.39,-5.31,;19.72,-6.09,;21.06,-5.32,;21.07,-3.78,;22.09,3.54,)|
COC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)N(C)CC2CCCCC2)O1 |r,wU:10.27,wD:13.17,(56.51,-30.54,;55.18,-31.31,;55.18,-32.84,;56.5,-33.62,;56.5,-35.16,;57.82,-35.93,;57.82,-37.45,;56.49,-38.22,;55.2,-37.45,;55.18,-35.92,;53.85,-35.16,;53.85,-36.7,;52.51,-37.48,;51.17,-36.7,;51.17,-35.16,;52.5,-34.39,;49.83,-37.48,;49.83,-39.02,;48.5,-36.7,;47.16,-37.48,;45.83,-36.7,;44.49,-37.47,;44.49,-39.02,;45.82,-39.79,;47.16,-39.02,;53.85,-33.62,)|
C(N[C@H]1CC[C@@]2(CC1)OC=Cc1ccccc21)C1CCCCC1 |r,wU:5.8,wD:2.1,c:10,(8.43,-8.03,;9.76,-8.8,;11.1,-8.03,;12.44,-8.8,;13.79,-8.02,;13.78,-6.48,;12.44,-5.71,;11.1,-6.48,;13.78,-4.94,;15.11,-4.16,;16.43,-4.94,;16.43,-6.48,;17.75,-7.25,;17.75,-8.78,;16.42,-9.54,;15.13,-8.77,;15.11,-7.24,;7.09,-8.8,;5.76,-8.03,;4.43,-8.79,;4.42,-10.34,;5.76,-11.11,;7.09,-10.35,)|
COC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)N(C)Cc2ccccc2)O1 |r,wU:10.27,wD:13.17,(-1.47,-19.23,;-2.8,-20,;-2.81,-21.55,;-1.48,-22.32,;-1.48,-23.86,;-.17,-24.62,;-.17,-26.14,;-1.5,-26.91,;-2.81,-26.14,;-2.81,-24.62,;-4.14,-23.85,;-4.91,-25.2,;-6.63,-24.58,;-7.82,-25,;-7.05,-23.64,;-5.41,-24.27,;-7.83,-26.55,;-6.49,-27.32,;-9.17,-27.31,;-10.5,-26.53,;-10.49,-24.99,;-11.83,-24.21,;-13.17,-24.98,;-13.17,-26.53,;-11.84,-27.3,;-4.15,-22.31,)|
OC1(CC2CCC(C1)N2CCCCc1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,20:1:8:4.5,0:1:8:4.5|
O\N=C(\CCCN1CCCN(CC1)c1ncccn1)c1ccc(F)cc1
C(COc1ccccc1)CN1CCN(CC1)c1ccccc1
Fc1ccc(SCCCN2CCCN(CC2)c2ccc(Cl)cn2)cc1
O\N=C(\CCCN1CCCN(CC1)c1ccccn1)c1ccc(F)cc1
O\N=C(\CCCN1CCCN(CC1)c1ccc(Cl)cn1)c1ccc(F)cc1
OC1(CC2CCC(C1)N2CCCSc1cccc(F)c1)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7|
OC1(CC2CCC(C1)N2CCCSc1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,20:1:8:4.5,0:1:8:4.5|
OC1(CC2CCC(C1)N2CCCOc1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,20:1:8:4.5,0:1:8:4.5|
Fc1ccc(OCCCN2CCN(CC2)c2ccccc2)cc1
Clc1ccc(cc1)N1CCN(CCCOc2ccccc2)CC1
Fc1ccc(CCCCN2CCN(CC2)c2ccc(Cl)cn2)cc1
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccc(Cl)cn1
Fc1ccc(CCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Fc1ccc(cc1)C(=O)CCCN1CCCN(CC1)c1ncccn1
Fc1ccc(cc1)C(=O)CCCN1CCCN(CC1)c1ccc(Cl)cn1
[O-][S+](CCCN1CCN(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
Fc1ccc(cc1)C(=O)CCCN1CCCN(CC1)c1ccccn1
Fc1ccc(cc1)C(=O)CCCN1CCCN(CC1)c1ccc(Cl)cc1
OC1(CC2CCC(C1)N2CCCSc1ccccc1F)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7|
Fc1ccc(OCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Fc1ccc(CCCCN2CCN(CC2)c2ccc(Cl)cc2)cc1
Fc1ccc(CNC2CCc3c(C2)c(nn3-c2ccccc2)C(=O)N2CCCCC2)cc1
NC(=O)c1ccc(cc1)-n1nc2CCC(Cc2c1C(=O)N1CCCCC1)NCCc1ccccc1
CCCn1nc(C(=O)N(C)C)c2CC(CCc12)NCc1ccc(F)cc1
CCCn1nc(C(=O)N(C)C)c2CC(CCc12)SCc1ccc(F)cc1
CCCn1nc(C(=O)N(C)C)c2CC(CCc12)NCCc1ccc2OCOc2c1
CCCn1nc(C(=O)N2CCCCC2)c2CC(CCc12)NCCc1ccc(O)cc1
FC(F)(F)c1ccc(CCNC2CCc3c(C2)c(nn3-c2ccccc2)C(=O)N2CCCCC2)cc1
Fc1ccc(CCNC2CCc3c(C2)c(nn3-c2ccccc2)C(=O)N2CCCCC2)cc1
O=C(N1CCCCC1)c1nn(Cc2ccccc2)c2CCC(Cc12)NCCc1ccncc1
Fc1ccc(CNC2CCc3c(C2)c(nn3Cc2ccccc2)C(=O)N2CCCCC2)cc1
FC(F)(F)c1ccc(CCNC2CCc3nn(c(C(=O)N4CCCCC4)c3C2)-c2ccccc2)cc1
O=C(N1CCCCC1)c1c2CC(CCc2nn1-c1ccccc1)NCCc1ccc2OCOc2c1
Fc1ccc(CNC2CCc3nn(c(C(=O)N4CCCCC4)c3C2)-c2ccc(F)cc2)cc1
CCCn1nc(C(=O)N(C)C)c2CC(CCc12)NC(=O)c1ccc(F)cc1
Fc1ccc(CNC2CCc3nn(c(C(=O)N4CCCCC4)c3C2)-c2ccccc2)cc1
CCCn1nc(C(=O)N(C)C)c2CC(CCc12)NCCc1ccc(cc1)C(F)(F)F
CCCn1nc(C(=O)N(C)C)c2CC(CCc12)OCc1ccc(F)cc1
O=C(N1CCCCC1)c1nn(c2CCC(Cc12)NCc1ccccc1)-c1ccccc1
Oc1cccc(CCNC2CCc3c(C2)c(nn3-c2ccccc2)C(=O)N2CCCCC2)c1
Fc1ccc(cc1)-n1nc2CCC(Cc2c1C(=O)N1CCCCC1)NCCc1ccncc1
CCCn1nc(C(=O)N(C)C)c2CC(CCc12)NS(=O)(=O)c1ccc(F)cc1
O=C(N1CCCCC1)c1nn(c2CCC(Cc12)NCCc1ccc2OCOc2c1)-c1ccccc1
O=C(N1CCCCC1)c1c2CC(CCc2nn1-c1ccccc1)NCc1ccccc1
Oc1ccc(cc1)-n1nc2CCC(Cc2c1C(=O)N1CCCCC1)NCCc1ccccc1
Clc1ccc2oc(=O)n(CCN3CCCCCC3)c2c1
Clc1ccc2sc(=O)n(CCCCN3CCCCCC3)c2c1
Clc1ccc2sc(SCCN3CCCCCC3)nc2c1
Clc1ccc2sc(=O)n(CCN3CCCCCC3)c2c1
Clc1ccc2oc(SCCCCN3CCCCCC3)nc2c1
Clc1ccc2sc(SCCCN3CCCCCC3)nc2c1
Clc1ccc2oc(=O)n(CCCN3CCCCCC3)c2c1
Clc1ccc2sc(=O)n(CCCN3CCCCCC3)c2c1
Clc1ccc2oc(SCCN3CCCCCC3)nc2c1
Clc1ccc2oc(SCCCN3CCCCCC3)nc2c1
Clc1ccc2oc(=O)n(CCCCN3CCCCCC3)c2c1
Clc1ccc2sc(SCCCCN3CCCCCC3)nc2c1
COc1ccc2C(O)CN(CCC(F)Cc3ccccc3)CCc2c1
Oc1ccc2CCN(CCC(F)Cc3ccccc3)CCc2c1
OC1CN(CC(F)CCc2ccccc2)CCc2cc(OCc3ccccc3)ccc12
OC1CN(CCC(F)Cc2ccccc2)CCc2cc(OCc3ccccc3)ccc12
COc1ccc2C(O)CN(CC(F)CCc3ccccc3)CCc2c1
COc1ccc2CCN(CC(F)CCc3ccccc3)CCc2c1
COc1ccc2CCN(CCC(F)Cc3ccccc3)CCc2c1
Oc1ccc2CCN(CC(F)CCc3ccccc3)CCc2c1
Oc1ccc2CCN(CCCCc3ccccc3)CCc2c1
FC(CCOc1ccc2CCN(CCC(F)Cc3ccccc3)CCc2c1)Cc1ccccc1
FCCOc1ccc2CCN(CCC(F)Cc3ccccc3)CCc2c1
FC(CCN1CCc2ccccc2CC1)Cc1ccccc1
C[C@@H](C(c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3
OC1CN(CCC(F)Cc2ccccc2)CCc2cc(O)ccc12
COc1ccc2CCN(CCCCc3ccccc3)CCc2c1
FC(CCc1ccccc1)CN1CCc2ccccc2CC1
[H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccccc1 |r|
COc1ccc(OCCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)cc1
CN1CCC2(CC1)N=C(C)C(=O)N(C2=O)c1c(C)cccc1C |t:8|
O=C(Nc1ccccc1)OCc1cc(OC[C@@H]2CCCN2)no1
Brc1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1
NCCOc1cc(COc2ccccc2)on1
CN1CCC(COc2cc(COc3ccccc3)on2)CC1
CN(CCOc1cc(COc2cccc(Cl)c2)on1)CC1CC1
O=C(Oc1ccccc1)c1cc(OC[C@@H]2CCCN2)no1
Clc1ccccc1OCc1cc(OC[C@@H]2CCCN2)no1
FC(F)(F)c1cccc(OCc2cc(OC[C@@H]3CCCN3)no2)c1
FC(F)(F)c1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1
COc1cccc(OCc2cc(OC[C@@H]3CCCN3)no2)c1
Cc1cccc(OCc2cc(OC[C@@H]3CCCN3)no2)c1
C(Oc1cc(COc2ccccc2)on1)[C@H]1CCCN1
NCCCOc1cc(COc2ccccc2)on1
CNCCOc1cc(COc2ccccc2)on1
CCNCCOc1cc(COc2ccccc2)on1
CN1CCC[C@H]1COc1cc(COc2cccc(F)c2)on1
CN1CCC[C@H]1COc1cc(COc2cccc(Cl)c2)on1
CCN(C)CCOc1cc(COc2ccccc2)on1
CN(CCOc1cc(COc2ccccc2)on1)C1CCC1
CN(CCOc1cc(COc2ccccc2)on1)C1CCCC1
CN(CCOc1cc(COc2ccccc2)on1)C1CCCCC1
CN(CCOc1cc(COc2cccc(F)c2)on1)CC1CC1
CN(CCOc1cc(COc2cccc(F)c2)on1)C1CCCCC1
C(CN1CCOCC1)Oc1cc(COc2ccccc2)on1
C(Oc1ccccc1)c1cc(no1)N1CCNCC1
C(Oc1ccccc1)c1cc(no1)N1CCOCC1
C(Oc1ccccc1)c1cc(no1)N1CCCCC1
O=C(Nc1ccccc1)c1cc(OC[C@@H]2CCCN2)no1
C(Oc1cc(CSc2ccccc2)on1)[C@@H]1CCCN1
Fc1ccccc1OCc1cc(OC[C@@H]2CCCN2)no1
Fc1cccc(OCc2cc(OC[C@@H]3CCCN3)no2)c1
Clc1cccc(OCc2cc(OC[C@@H]3CCCN3)no2)c1
O=C(N1CCc2ccccc12)c1cc(OC[C@@H]2CCCN2)no1
Fc1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1
CN(CCOc1cc(COc2cccc(Cl)c2)on1)C1CCCCC1
Clc1cccc(OCc2cc(no2)N2CCNCC2)c1
Brc1cccc(OCc2cc(OC[C@@H]3CCCN3)no2)c1
COc1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1
C(Oc1cc(COc2ccccc2)on1)C1CCNCC1
CN1CCC[C@H]1COc1cc(COc2ccccc2)on1
CN1CCC[C@@H]1COc1cc(COc2ccccc2)on1
CN(CCOc1cc(COc2ccccc2)on1)CC1CC1
CN1CCN(CC1)c1cc(COc2ccccc2)on1
Clc1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1
C(Oc1cc(COc2ccc3ccccc3c2)on1)[C@@H]1CCCN1
CN(C)CCOc1cc(COc2ccccc2)on1
OC(=O)c1cc(cc(c1)-c1ccc(cc1)C1CCNCC1)C#Cc1ccc(cc1)C(F)(F)F
CCCn1c2cc(ccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O)C(C)=O
CCCCCCCCCCn1c2cc(ccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O)C(C)=O
CCCCCn1c2cc(ccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O)C(C)=O
CCCCCCCCCCn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O
CCCn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O
CCCCCn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O
CC(=O)c1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3)c(=O)n(C)c2c1
CC(=O)c1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3)c(=O)[nH]c2c1
C(Cc1ccccc1)NC1CCc2ccsc2CC1
C(CNC1CCc2ccsc2CC1)Cc1ccccc1
C(CCc1ccccc1)CNC1CCc2ccsc2CC1
CN(Cc1ccccc1)C1CCc2ccsc2CC1
CN(CCc1ccccc1)C1CCc2ccsc2CC1
CN(CCCc1ccccc1)C1CCc2ccsc2CC1
CN(CCCCc1ccccc1)C1CCc2ccsc2CC1
CCN(Cc1ccccc1)C1CCc2ccsc2CC1
CCN(CCc1ccccc1)C1CCc2ccsc2CC1
CCN(CCCc1ccccc1)C1CCc2ccsc2CC1
CCN(CCCCc1ccccc1)C1CCc2ccsc2CC1
OCc1cc2CCC(CCc2s1)NCCCc1ccccc1
OCc1cc2CCC(CCc2s1)NCCCCc1ccccc1
CN(CCc1ccccc1)C1CCc2cc(CO)sc2CC1
CN(CCCc1ccccc1)C1CCc2cc(CO)sc2CC1
Brc1cc2CCC(CCc2s1)NCCCc1ccccc1
Brc1cc2CCC(CCc2s1)NCCCCc1ccccc1
Oc1ccc(cc1)-c1cc2CCC(CCc2s1)NCCCc1ccccc1
Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12
O=C(N1CCCN(Cc2ccccc2)CC1)c1ccco1
O=C(N1CCCN(Cc2ccccc2)CC1)c1cccs1
O=C(N1CCCN(Cc2ccccc2)CC1)c1cc2ccccc2o1
O=C(N1CCCN(Cc2ccccc2)CC1)c1ccc2ccccc2n1
O=C(N1CCCN(Cc2ccccc2)CC1)c1ccncc1
O=C(N1CCCN(Cc2ccccc2)CC1)c1cccc2ccccc12
Cc1ccc(CN2CCCN(CC2)C(=O)c2ccco2)c(C)c1
Cc1ccc(CN2CCCN(CC2)C(=O)c2cccs2)c(C)c1
Cc1ccc(CN2CCCN(CC2)C(=O)c2cc3ccccc3o2)c(C)c1
Cc1ccc(CN2CCCN(CC2)C(=O)c2ccc3ccccc3n2)c(C)c1
Cc1ccc(CN2CCCN(CC2)C(=O)c2ccncc2)c(C)c1
Cc1ccc(CN2CCCN(CC2)C(=O)c2cccc3ccccc23)c(C)c1
Cc1ccc(CN2CCCN(CC2)C(=O)c2ccccc2)c(C)c1
[O-][N+](=O)OCc1cccc(c1)C(=O)NCCN1CCC(Cc2ccccc2)CC1
[O-][N+](=O)OCc1cccc(c1)C(=O)NCCCN1CCC(Cc2ccccc2)CC1
[O-][N+](=O)OCc1cccc(c1)C(=O)NCCCCN1CCC(Cc2ccccc2)CC1
[O-][N+](=O)OCc1cccc(c1)C(=O)NCCCCCN1CCC(Cc2ccccc2)CC1
[O-][N+](=O)OCc1ccc(cc1)C(=O)NCCN1CCC(Cc2ccccc2)CC1
[O-][N+](=O)OCc1ccc(cc1)C(=O)NCCCN1CCC(Cc2ccccc2)CC1
[O-][N+](=O)OCc1ccc(cc1)C(=O)NCCCCN1CCC(Cc2ccccc2)CC1
[O-][N+](=O)OCc1ccc(cc1)C(=O)NCCCCCN1CCC(Cc2ccccc2)CC1
[O-][N+](=O)OCc1cccc(c1)C(=O)NC1CCN(Cc2ccccc2)CC1
[O-][N+](=O)OCc1cccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1
[O-][N+](=O)OCc1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)CC1
[O-][N+](=O)Oc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
[#6]-[#6@H]1-[#6@H]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |r,TLB:16:15:1:3.4.10|
OC(=O)c1ccc(CO[N+]([O-])=O)cc1
c1cc(ccc1CO)C(=O)O
Cc1ccc(cc1)C(=O)O
OCc1ccc(cc1)C(=O)NCCCCN1CCC(Cc2ccccc2)CC1
Cc1ccc(cc1)C(=O)NCCCCN1CCC(Cc2ccccc2)CC1
C(C1CSC2(CCCC2)S1)N1CCC(Cc2ccccc2)CC1
C(C1CSC2(CCCCCC2)S1)N1CCC(Cc2ccccc2)CC1
C([C@@H]1CS[C@]2(CCc3ccccc23)S1)N1CCC(Cc2ccccc2)CC1
C([C@H]1CS[C@]2(CCc3ccccc23)S1)N1CCC(Cc2ccccc2)CC1
C([C@@H]1CS[C@]2(CCCc3ccccc23)S1)N1CCC(Cc2ccccc2)CC1
C([C@@H]1CS[C@@]2(CCCc3ccccc23)S1)N1CCC(Cc2ccccc2)CC1
C([C@@H]1CS[C@@]2(CCCCc3ccccc23)S1)N1CCC(Cc2ccccc2)CC1
C([C@H]1CS[C@@]2(CCCCc3ccccc23)S1)N1CCC(Cc2ccccc2)CC1
C(C1CSC2(S1)c1ccccc1-c1ccccc21)N1CCC(Cc2ccccc2)CC1
C[C@@]1(SC[C@@H](CN2CCC(Cc3ccccc3)CC2)S1)c1ccccc1
C[C@@]1(SC[C@H](CN2CCC(Cc3ccccc3)CC2)S1)c1ccccc1
CC1(C)SCC(CN2CCC(Cc3ccccc3)CC2)S1
C(C1CSCS1)N1CCC(Cc2ccccc2)CC1
CC1(C)SCC(CN2CCN(Cc3ccccc3)CC2)S1
C(C1CSCS1)N1CCN(Cc2ccccc2)CC1
CC1(C)OCC(CN2CCC(Cc3ccccc3)CC2)O1
CC1(C)OCC(CN2CCN(Cc3ccccc3)CC2)O1
Fc1ccc(CN2CCCN(C2)C(=S)Nc2cc(F)cc(F)c2)cc1
CN(Cc1csc(n1)-c1ccccc1)Cc1cn(CCO)nc1C
OC1COCCC1NC1CCN(CC1)c1ccc(cn1)C(F)(F)F
NC(=O)c1cccc(CNC2CCN(C2)c2ccc(F)c(Cl)c2)c1
Cc1nn(c(Cl)c1CNCc1cc(F)cc(F)c1)-c1ccccc1Cl
CN(Cc1ccccc1)Cc1c(C)[nH]c2cc(ccc2c1=O)C(F)(F)F
CC(CCc1c[nH]c2ccccc12)NC1CCN(CC1)C(=O)C(C)C
NC(Cc1ccccc1)C(=O)N1CCN(CC1)c1ccc2nccn2n1
FC(F)(F)c1cccc(c1)N1CCC(N1)\N=C\c1ccc(Br)cc1
CN(C)CC(NC(=O)c1cnn(c1C)-c1ccc(F)cc1)c1ccccc1
O=C(N1CCC(C1)N1CCc2ccccc2C1)c1c[nH]c2ccccc12
C(N[C@H]1CCC[C@]2(C1)OCCc1ccccc21)C1CCCCC1 |r|
C(N[C@H]1CCC[C@]2(C1)OCCc1ccccc21)c1ccccc1 |r|
C(N1CCC2(CC1)OCCc1ccccc21)c1ccccc1
N[C@@H]1C[C@H]1c1ccccc1 |r|
NC1CC1(F)c1ccc(F)cc1
Cc1ccc(cc1)C1(F)CC1N
NC1CC1(F)c1ccc(cc1)C(F)(F)F
NC1CC1(F)c1ccc(Cl)cc1
COc1ccc(cc1OC)C1(F)CC1N
NC1(CC1(F)c1ccccc1)c1ccccc1
O=C(N1CCCCC1)c1nn(c2CCC(Cc12)NCCc1ncc[nH]1)-c1ccccc1
O=C(N1CCCCC1)c1nn(c2CCC(Cc12)N1CCc2ccccc2C1)-c1ccccc1
O=C(N1CCCCC1)c1nn(c2CCC(Cc12)NCCc1ccc(cc1)C#N)-c1ccccc1
O=C(N1CCCCC1)c1nn(c2CCC(Cc12)NCC1CCOCC1)-c1ccccc1
O=C1NCCCn2nc3CCC(Cc3c12)NCCc1ccc(cc1)C#N
CN1CCn2nc3CCC(Cc3c2C1=O)NCc1ccc(F)cc1
O=C1NCCn2nc3CCC(Cc3c12)NCCc1ccc2OCOc2c1
CCCn1nc(C(=O)N2CCCCC2)c2CN(CCc3cccc(c3)C(F)(F)F)CCc12
CCCn1nc(C(=O)N2CCCCC2)c2CN(CCc3ccc(F)cc3)CCc12
CCCn1nc(C(=O)Nc2cccc(OC)c2)c2CC(CCc12)NCCc1ccncc1
C(CN1CCCc2ccccc2CC1)Cc1ccccc1
C(CCc1ccccc1)CN1CCCc2ccccc2CC1
C(Cc1ccccc1)NC1CCc2ccccc2C1
C(CNC1CCc2ccccc2C1)Cc1ccccc1
C(CCc1ccccc1)CNC1CCc2ccccc2C1
C1Cc2ccccc2CC1N1CCC(CC1)c1ccccc1
C(C1CCN(CC1)C1CCc2ccccc2C1)c1ccccc1
C(Cc1ccccc1)NC1Cc2ccccc2C1
C(CNC1Cc2ccccc2C1)Cc1ccccc1
C(CCc1ccccc1)CNC1Cc2ccccc2C1
C1C(Cc2ccccc12)N1CCC(CC1)c1ccccc1
C(C1CCN(CC1)C1Cc2ccccc2C1)c1ccccc1
C(NC1CCc2ccccc2C1)c1ccccc1
CCCCCc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O
CN1CCc2ccc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2C1=O
C[C@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 |r|
C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
[H][C@]12CCCC[C@]11CC(=C)CCN1Cc1ccc(OC)cc21 |r|
CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccccc1
CCOC1(CCN(Cc2ccccc2)CC1)c1ncc(s1)-c1cccnc1
CCOC1(CCN(Cc2ccccc2)CC1)c1ncc(s1)-c1ccncc1
Clc1ccc(OCC(=O)NCCN2CCOCC2)cc1Cl
[H][C@@]1(CCN(Cc2ccccc2)Cc2ccccc12)[C@H](OCc1ccccc1)c1ccccc1 |r|
Fc1ccc(CN2CCC(Cc3ccccc3)c3ccccc3C2)cc1
C(C1CCCCC1)N1CCC(Cc2ccccc2)c2ccccc2C1
CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
CN(C)CCCN1c2ccccc2CCc3c1cccc3
CNCC[C@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F
COc1ccc2c(CCCCN3C4CCCC3CCC4)cccc2c1 |THB:10:11:13.15.14:19.17.18|
Fc1ccc(cc1)C(NCc1cccc(Br)c1)C1CCN(Cc2ccc(Br)cc2)CC1
Cc1ccc(CN2CCC(CC2)C(O)c2ccc(F)cc2)cc1
OC(C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(=O)C1CCN(Cc2ccc(Br)cc2)CC1
C(N1CCC2(CC1)CCc1ccccc1S2)c1ccccc1
C(COc1cc(COc2ccccc2)on1)NC1CCC1
C[N@](CCCOc1ccc(cc1Cl)Cl)CC#C
FC1(F)CN(C1)C(=O)c1nc2cccnc2n1-c1ccc(Cl)c(Cl)c1
O=c1ccoc2ccc(OCCN3CCCC3)cc12
O=c1ccoc2ccc(OCCCN3CCCC3)cc12
O=c1ccoc2ccc(OCCCCN3CCCC3)cc12
O=c1ccoc2ccc(OCCCCCN3CCCC3)cc12
O=c1ccoc2ccc(OCCN3CCCCC3)cc12
O=c1ccoc2ccc(OCCCN3CCCCC3)cc12
O=c1ccoc2ccc(OCCCCN3CCCCC3)cc12
O=c1ccoc2ccc(OCCCCCN3CCCCC3)cc12
O=c1ccoc2ccc(OCCN3CCOCC3)cc12
O=c1ccoc2ccc(OCCCN3CCOCC3)cc12
O=c1ccoc2ccc(OCCCCN3CCOCC3)cc12
O=c1ccoc2ccc(OCCCCCN3CCOCC3)cc12
CN1CCN(CCOc2ccc3occc(=O)c3c2)CC1
CN1CCN(CCCOc2ccc3occc(=O)c3c2)CC1
CN1CCN(CCCCCOc2ccc3occc(=O)c3c2)CC1
CCN(CC)CCOc1ccc2occc(=O)c2c1
CCN(CC)CCCOc1ccc2occc(=O)c2c1
CCN(CC)CCCCCOc1ccc2occc(=O)c2c1
O=c1ccoc2ccc(OCCN3CCCCCC3)cc12
O=c1ccoc2ccc(OCCCN3CCCCCC3)cc12
C[C@@H]1CCCN1CCCCOc1ccc2occc(=O)c2c1 |r|
C[C@@H]1CCCN1CCCCCOc1ccc2occc(=O)c2c1 |r|
Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1
COc1cc2CCN(CCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)Cc2cc1OC
COc1cc2CN(CCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)CCc2c(OC)c1OC
COc1cc2CCN(CCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)Cc2c(OC)c1OC
COc1cc2CCN(CCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)Cc2cc1OC
COc1cc2CN(CCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)CCc2c(OC)c1OC
COc1cc2CCN(CCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)Cc2c(OC)c1OC
COc1cc2CCN(CCCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)Cc2cc1OC
COc1cc2CN(CCCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)CCc2c(OC)c1OC
COc1cc2CCN(CCCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)Cc2c(OC)c1OC
COc1cc2CCN(CCCCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)Cc2cc1OC
COc1cc2CN(CCCCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)CCc2c(OC)c1OC
COc1cc2CCN(CCCCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)Cc2c(OC)c1OC
COc1cc2CCN(CCCCCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)Cc2cc1OC
COc1cc2CN(CCCCCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)CCc2c(OC)c1OC
COc1cc2CCN(CCCCCCC(=O)c3c(C)c(OC)c(OC)c(OC)c3OC)Cc2c(OC)c1OC
C(C[C@@H]1CCC[C@@H](C1)c1ccccc1)NCc1ccccc1 |r|
C(C[C@@H]1CCC[C@H](C1)c1ccccc1)NCc1ccccc1 |r|
C(C[C@H]1CCC[C@H](C1)c1ccccc1)NCc1ccccc1 |r|
C(C[C@H]1CCC[C@@H](C1)c1ccccc1)NCc1ccccc1 |r|
C(CCc1ccccc1)CNCCC1CCCC(C1)c1ccccc1
CN(C)CCC1CCCC(C1)c1ccccc1
CN(C)CC[C@@H]1CCC[C@@H](C1)c1ccccc1 |r|
CN(C)CC[C@H]1CCC[C@H](C1)c1ccccc1 |r|
C(CN1CCCC1)[C@@H]1CCC[C@@H](C1)c1ccccc1 |r|
C(CN1CCCC1)[C@@H]1CCC[C@H](C1)c1ccccc1 |r|
C(CN1CCN(CC1)c1ccccc1)[C@@H]1CCC[C@@H](C1)c1ccccc1 |r|
C(CN1CCN(CC1)c1ccccc1)[C@H]1CCC[C@@H](C1)c1ccccc1 |r|
Cn1nc(CN2CCN(CCc3ccccc3)CC2)nc1-c1ccc(cc1)C(C)(C)C
Cn1nc(CN2CCCC2)nc1-c1ccc(cc1)C(C)(C)C
Cn1nc(CN2CCCC2)nc1-c1ccc(cc1)C1(CC1)C(F)(F)F
Cn1nc(CN2CCCC2)nc1-c1ccc(Cl)c(Cl)c1
Cn1nc(CN2CCCC2)nc1-c1ccc(cc1)C(F)(F)F
Cc1cc(ccc1C(F)(F)F)-c1nc(CN2CCCC2)nn1C
CC(C)c1ccc(cc1)-c1nc(CN2CCCC2)nn1C
Cn1nc(CN2CCCC2)nc1-c1ccc2CCCCc2c1
Cn1nc(CN2CCCC2)nc1-c1cccc(c1)C(C)(C)C
Cn1nc(CN2CCCC2)nc1-c1cccc(c1)C1(CC1)C(F)(F)F
Cn1nc(CN2CCCC2)nc1-c1ccc(Cl)cc1
Cc1ccc(cc1C)-c1nc(CN2CCCC2)nn1C
Cc1ccc(cc1)-c1nc(CN2CCCC2)nn1C
Cn1nc(CN2CCCC2)nc1-c1ccc(cc1)C1CC1
Cn1nc(CN2CCCC2)nc1-c1ccc2CCCc2c1
Cn1nc(CN2CCCC2)nc1-c1ccc2ccsc2c1
Cn1nc(CN2CCCC2)nc1-c1ccc2cc(Cl)sc2c1
Cn1nc(CN2CCCC2)nc1-c1cccc(c1)-c1ccccc1
Cn1nc(CN2CCCC2)nc1-c1cccc(Oc2ccccc2)c1
CCn1nc(CN2CCCC2)nc1-c1ccc(cc1)C(C)(C)C
CC(C)n1nc(CN2CCCC2)nc1-c1ccc(cc1)C(C)(C)C
CC(C)(C)c1ccc(cc1)-c1nc(CN2CCCC2)nn1C1CC1
NC(=O)Cc1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)-c1nnn[nH]1
OCc1cc(no1)-c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
CN(C)C(=O)COC(=O)c1cc(-c2ccc(cc2)C2CCN(CC2)C(C)=O)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
C(C[C@H]1CCC[C@H](O1)c1ccccc1)NCc1ccccc1 |r|
C(C[C@@H]1CCC[C@@H](O1)c1ccccc1)NCc1ccccc1 |r|
C(C[C@H]1CCC[C@H](O1)c1ccccc1)NCC1CCCCC1 |r|
C(C[C@@H]1CCC[C@@H](O1)c1ccccc1)NCC1CCCCC1 |r|
C(CCc1ccccc1)CNCC[C@H]1CCC[C@H](O1)c1ccccc1 |r|
C(CCc1ccccc1)CNCC[C@@H]1CCC[C@@H](O1)c1ccccc1 |r|
CN(C)CC[C@H]1CCC[C@H](O1)c1ccccc1 |r|
CN(C)CC[C@@H]1CCC[C@@H](O1)c1ccccc1 |r|
C(CN1CCCC1)[C@H]1CCC[C@H](O1)c1ccccc1 |r|
C(CN1CCCC1)[C@@H]1CCC[C@@H](O1)c1ccccc1 |r|
C(CN1CCN(CC1)c1ccccc1)[C@H]1CCC[C@H](O1)c1ccccc1 |r|
C(CN1CCN(CC1)c1ccccc1)[C@@H]1CCC[C@@H](O1)c1ccccc1 |r|
COc1cc2CCN(Cc3ccccc3CNC(=O)c3ccccc3Cl)Cc2cc1O
COc1cc2CCN(Cc3ccccc3CNC(=O)c3ccccc3Br)Cc2cc1O
COc1cc2CCN(Cc3ccccc3CNC(=O)c3ccccc3OC)Cc2cc1O
COc1cc2CCN(Cc3ccccc3CNC(=O)c3cccc(Cl)c3)Cc2cc1O
COc1cc2CCN(Cc3ccccc3CNC(=O)c3cccc(Br)c3)Cc2cc1O
COc1cccc(c1)C(=O)NCc1ccccc1CN1CCc2cc(OC)c(O)cc2C1
COc1cc2CCN(Cc3ccccc3CNC(=O)c3cccc(c3)C#N)Cc2cc1O
COc1ccc(cc1)C(=O)NCc1ccccc1CN1CCc2cc(OC)c(O)cc2C1
COc1cc2CCN(Cc3ccccc3CNC(=O)c3cccc(Cl)c3Cl)Cc2cc1O
C[C@@H]1[C@@H](CCN1Cc2ccccc2)NC(=O)c3cc(c(cc3OC)NC)Cl
COc1cc2CCN(CCCCNC(=O)c3ccc(cc3)C#N)Cc2cc1O
COc1cc(CCC(C)NCc2ccc(cc2)C(F)(F)F)ccc1O
C[C@H](CCc1ccc(Cl)c(Cl)c1)NCc1ccc(cc1)C(F)(F)F |r|
C[C@@H](CCc1ccc(Cl)c(Cl)c1)NCc1ccc(cc1)C(F)(F)F |r|
C[C@H](CCc1ccc(Cl)cc1)NCc1ccc(cc1)C(F)(F)F |r|
Cc1cc(I)cc(c1)-c1nc(NC(=O)c2cccnc2)sc1-c1ccncc1
COc1ccc2C[C@@H]3[C@H]4CCCC[C@]4(CCN3C)c2c1 |THB:17:16:8:18.6.5|
CN1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O)cc31 |THB:0:1:9:18.11.12|
[H][C@]12Cc3ccc(OC(F)(F)F)cc3[C@@]3(CCCC[C@]13[H])CCN2C |r,THB:4:3:19:23.21.22,12:13:19:23.21.22|
[H][C@]12Cc3ccc(OC(F)F)cc3[C@@]3(CCCC[C@]13[H])CCN2C |r,THB:4:3:18:22.20.21,11:12:18:22.20.21|
[H][C@]12Cc3ccc(cc3[C@@]3(CCCC[C@]13[H])CCN2C)C(F)(F)F |r,THB:4:3:14:18.16.17,7:8:14:18.16.17|
[H][C@]12Cc3ccc(cc3[C@@]3(CCCC[C@]13[H])CCN2C)C(F)F |r,THB:4:3:14:18.16.17,7:8:14:18.16.17|
[H][C@]12Cc3ccc(cc3[C@@]3(CCCC[C@]13[H])CCN2C)C(F)(F)C(F)(F)F |r,THB:4:3:14:18.16.17,7:8:14:18.16.17|
[H][C@]12Cc3ccc(cc3[C@@]3(CCCC[C@]13[H])CCN2C)C(C)(F)F |r,THB:4:3:14:18.16.17,7:8:14:18.16.17|
[H][C@@]12C[C@@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(=O)OCC(=O)N(C)C)[C@@]([H])(C1)C(=O)N2 |r|
N[C@H]1C[C@@H](CO)[C@@H](C1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O |r|
[H][C@@]12C[C@@]([H])(C[C@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C(=O)N2 |r|
[H][C@@]12C[C@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(=O)OCC(=O)N(C)C)[C@@]([H])(CN1)C2 |r|
[H][C@]12CC[C@@]([H])(CNC1)C2(O)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O |r|
[H][C@]12C[C@]([H])(C[C@@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C(=O)N2 |r|
[H][C@]12CN(C(C)=O)[C@]([H])(C[C@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C2 |r|
[H][C@]12C[C@@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(O)=O)[C@]([H])(CN1)C2 |r|
[H][C@@]12C[C@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(O)=O)[C@@]([H])(CN1)C2 |r|
[H][C@@]12CN(C(=O)OCC)[C@@]([H])(C[C@@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(=O)OCC(=O)N(C)C)C2 |r|
N[C@@H]1C[C@H](CO)[C@H](C1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O |r|
[H][C@@]12C[C@@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(O)=O)[C@@]([H])(C1)C(=O)N2 |r|
N[C@@H]1C[C@@H]([C@H](C1)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O)C(O)=O |r|
[H][C@]12CN[C@]([H])(C1)[C@@H](C2)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O |r|
[H][C@@]12C[C@@]([H])(C[C@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(=O)OCC(=O)N(C)C)C(=O)N2 |r|
[H][C@@]12CC([C@@]([H])(C[C@@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C2)S(C)(=O)=O |r|
OC(=O)c1cc(-c2ccc(cc2)C2CCNC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
CC1CCN(CCOc2ccc(Cl)cc2)CC1
C[C@H](COc1ccc(Cl)cc1)N1CCC(C)CC1
C[C@@H](COc1ccc(Cl)cc1)N1CCC(C)CC1
C[C@@H]1CCCCN1CCOc1ccc(Cl)cc1
C[C@H]1CCCCN1CCOc1ccc(Cl)cc1
C[C@H]1CCC[C@@H](C)N1CCCOc1ccc(Cl)cc1
C[C@H]1CCC[C@@H](C)N1CCOc1ccc(Cl)cc1
CC1(C)CCCC(C)(C)N1CCOc1ccc(Cl)cc1
COc1ccc(OCCN2CCC(C)CC2)cc1
COc1ccc(OC[C@@H](C)N2CCC(C)CC2)cc1
COc1ccc(OC[C@H](C)N2CCC(C)CC2)cc1
COc1ccc(OCCN2CCCC[C@H]2C)cc1
COc1ccc(OCCN2CCCC[C@@H]2C)cc1
COc1ccc(OCCCN2[C@@H](C)CCC[C@H]2C)cc1
COc1ccc(OCCN2[C@@H](C)CCC[C@H]2C)cc1
COc1ccc(OCCN2C(C)(C)CCCC2(C)C)cc1
[H][C@]12CN(C[C@]1([H])n1nnc(c1CO2)-c1ccc(cc1)C(F)(F)F)C1CCOCC1 |r|
[H][C@]12CN(C[C@]1([H])n1nnc(c1CO2)-c1ccc(cc1Cl)C(F)(F)F)C1CCOCC1 |r|
[H][C@@]12CN(Cc3ccccc3)C[C@@]1([H])n1nnc(c1CO2)-c1ccccc1F |r|
[H][C@@]12CN(Cc3ccccc3)C[C@@]1([H])n1nnc(c1CO2)-c1cccc(F)c1 |r|
[H][C@]12CN(Cc3ccccc3)C[C@]1([H])n1nnc(c1CO2)-c1ccccc1F |r|
[H][C@]12CN(Cc3ccccc3)C[C@]1([H])n1nnc(c1CO2)-c1cccc(F)c1 |r|
[H][C@@]12CN(Cc3ccc(F)cc3)C[C@@]1([H])n1nnc(c1CO2)-c1ccccn1 |r|
[H][C@]12CN(Cc3ccc(F)cc3)C[C@]1([H])n1nnc(c1CO2)-c1ccccn1 |r|
[H][C@@]12CN(Cc3ccc(F)cc3)C[C@@]1([H])n1nnc(c1CO2)-c1cccnc1 |r|
[H][C@@]12CN(Cc3ccc(F)cc3)C[C@@]1([H])n1nnc(c1CO2)-c1ccncc1F |r|
[H][C@@]12CN(Cc3ccc(F)cc3)C[C@@]1([H])n1nnc(c1CO2)-c1ncccc1F |r|
[H][C@@]12CN(Cc3ccc(F)cc3)C[C@@]1([H])n1nnc(c1CO2)-c1ccc(F)cn1 |r|
[H][C@@]12CN(Cc3ccc(F)cc3)C[C@@]1([H])n1nnc(c1CO2)-c1ncccn1 |r|
[H][C@@]12CN(Cc3ccc(F)cc3)C[C@@]1([H])n1nnc(C3CCOCC3)c1CO2 |r|
[H][C@@]12CN(Cc3ccc(F)cc3)C[C@@]1([H])n1nnc(C3CCN(C)CC3)c1CO2 |r|
[H][C@@]12CN(Cc3nccn3C)C[C@@]1([H])n1nnc(c1CO2)-c1ccccc1F |r|
[H][C@@]12CN(Cc3cccnc3)C[C@@]1([H])n1nnc(c1CO2)-c1ccccc1F |r|
[H][C@@]12CN(Cc3ccc(nc3)C(F)(F)F)C[C@@]1([H])n1nnc(c1CO2)-c1ccccc1F |r|
[H][C@@]12CN(Cc3ccc(OC)nc3)C[C@@]1([H])n1nnc(c1CO2)-c1ccccc1F |r|
[H][C@]12CN(Cc3ccc(OC)nc3)C[C@]1([H])n1nnc(c1CO2)-c1ccccc1F |r|
[H][C@@]12CN(Cc3ccc(OC)nc3)C[C@@]1([H])n1nnc(c1CO2)-c1cccc(F)c1 |r|
[H][C@@]12CN(C[C@@]1([H])n1nnc(c1CO2)-c1ccccc1F)C1CCOCC1 |r|
[H][C@]12CN(C[C@]1([H])n1nnc(c1CO2)-c1ccccc1F)C1CCOCC1 |r|
[H][C@@]12CN(C[C@@]1([H])n1nnc(c1CO2)-c1ccc(F)cn1)C1CCOCC1 |r|
[H][C@]12CN(C[C@]1([H])n1nnc(c1CO2)-c1ccc(F)cn1)C1CCOCC1 |r|
[H][C@@]12CN(CC3CCOCC3)C[C@@]1([H])n1nnc(c1CO2)-c1ccccc1F |r|
[H][C@]12CN(CC3CCOCC3)C[C@]1([H])n1nnc(c1CO2)-c1ccccc1F |r|
[H][C@@]12CN(CC3CCOCC3)C[C@@]1([H])n1nnc(c1CO2)-c1ccc(Cl)cc1Cl |r|
[H][C@@]12CN(CCC3CCOCC3)C[C@@]1([H])n1nnc(c1CO2)-c1ccc(F)cc1F |r|
[H][C@]12CN(C[C@]1([H])n1nnc(c1CO2)-c1ccc(F)cc1Cl)C1CCOCC1 |r|
CCCC(CCC)c1nc2c(Nc3ccc(Cl)c(Cl)c3)nc3ccccc3c2[nH]1
Clc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCC=CCC2)cc1Cl |c:25|
Clc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCCCCCC2)cc1Cl
Clc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCCCCCCC2)cc1Cl
Clc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCCCCCCCCC2)cc1Cl
Clc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C23CCCC(CCC2)C3)cc1Cl
[H][C@]12CCC[C@]([H])(C[C@@H](C1)c1nc3c(Nc4ccc(Cl)c(Cl)c4)nc4ccccc4c3[nH]1)C2 |r|
Ic1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCCC2)cc1
CCCC(CCC)c1nc2c(Nc3ccc(I)cc3)nc3ccccc3c2[nH]1
O[C@H]1CCCC[C@@H]1N1CCN(CCc2ccccc2Br)CC1 |r|
O[C@H]1CCCC[C@@H]1N1CCN(CCCc2ccccc2Br)CC1 |r|
O[C@H]1CCCC[C@@H]1N1CCN(CCc2cccc(Br)c2)CC1 |r|
O[C@H]1CCCC[C@@H]1N1CCN(CCCc2cccc(Br)c2)CC1 |r|
O[C@H]1CCCC[C@@H]1N1CCN(CCc2ccc(Br)cc2)CC1 |r|
O[C@H]1CCCC[C@@H]1N1CCN(CCCc2ccc(Br)cc2)CC1 |r|
O[C@H]1CCC[C@@H]1N1CCN(CCc2ccccc2Br)CC1 |r|
O[C@H]1CCC[C@@H]1N1CCN(CCCc2ccccc2Br)CC1 |r|
O[C@H]1CCC[C@@H]1N1CCN(CCc2cccc(Br)c2)CC1 |r|
O[C@H]1CCC[C@@H]1N1CCN(CCCc2cccc(Br)c2)CC1 |r|
O[C@H]1CCC[C@@H]1N1CCN(CCc2ccc(Br)cc2)CC1 |r|
O[C@H]1CCC[C@@H]1N1CCN(CCCc2ccc(Br)cc2)CC1 |r|
O[C@H]1CCC[C@@H]1N1CCN(CCc2cccc(I)c2)CC1 |r|
O[C@H]1CCC[C@@H]1N1CCN(CCCc2cccc(I)c2)CC1 |r|
COc1cccc(c1)S(=O)(=O)N1CCC[C@@H]1CCN1CCC(C)CC1
CCC(=O)N(Cc1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1
CCCC(=O)N(Cc1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1
Fc1cccc(CN(C2CCN(CCc3ccccc3)CC2)C(=O)c2ccco2)c1
N#CC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
CN(CCCNC(=O)c1ccc2ccccc2n1)Cc1ccccc1
CN(CCCNC(=O)c1ccc2ccccc2c1)Cc1ccccc1
CN(CCCNC(=O)c1cc2ccccc2o1)Cc1ccccc1
CN(CCCNC(=O)c1ccco1)Cc1ccccc1
COc1ccc(CN(C)CCCNC(=O)c2ccc3ccccc3n2)cc1OC
COc1ccc(CN(C)CCCNC(=O)c2ccc3ccccc3c2)cc1OC
COc1ccc(CN(C)CCCNC(=O)c2cc3ccccc3o2)cc1OC
COc1ccc(CN(C)CCCNC(=O)c2ccco2)cc1OC
CCN1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
CC(C)N1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
Cc1cccc2sc(NC(=O)CCN3CCN(CC3)C(C)(C)C)nc12
CCCCN1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
CN(C)CCN1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
CN(C)CCCN1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
CCOCCN1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
CCCCCCN1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
Cc1cccc2sc(NC(=O)CCN3CCN(CC4CCCO4)CC3)nc12
Cc1cccc2sc(NC(=O)CCN3CCN(CC3)C3CCCCC3)nc12
Cc1cccc2sc(NC(=O)CCN3CCN(CC4CCCCC4)CC3)nc12
CN1CCC(CC1)N1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
CC(C)N(CCN1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1)C(C)C
Cc1ccccc1N1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
CC(=O)c1ccc(cc1)N1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
Cc1cccc2sc(NC(=O)CCN3CCN(CC3)c3ccccn3)nc12
Cc1cccc2sc(NC(=O)CCN3CCN(CC3)c3ccncc3)nc12
Cc1cccc2sc(NC(=O)CCN3CCN(CC3)c3ncccn3)nc12
Cc1cccc2sc(NC(=O)CCN3CCN(Cc4ccccc4F)CC3)nc12
Cc1cccc2sc(NC(=O)CCN3CCN(Cc4cc(F)ccc4F)CC3)nc12
Cc1cccc2sc(NC(=O)CCN3CCN(Cc4ccc(cc4)C(C)(C)C)CC3)nc12
Cc1cccc2sc(NC(=O)CCN3CCN(Cc4cccc5ccccc45)CC3)nc12
[H][C@]12CC[C@]([H])(C\C(C1)=C\c1ccccc1)N2C[C@H](O)c1ccccc1 |r,TLB:9:7:3.2:16|
[H][C@]12CC[C@]([H])(C\C(C1)=C/c1ccccc1)N2C[C@@H](O)c1ccccc1 |r,TLB:9:7:3.2:16|
[H][C@]12CC[C@]([H])(C\C(C1)=C\c1ccccc1)N2C[C@@H](O)c1ccccc1 |r,TLB:9:7:3.2:16|
[H][C@]12CC[C@]([H])(C\C(C1)=C/c1ccccc1)N2C[C@H](O)c1ccccc1 |r,TLB:9:7:3.2:16|
[H][C@]12CC[C@]([H])(C\C(C1)=C\c1ccc(F)cc1)N2C[C@H](O)c1ccccc1 |r,TLB:9:7:3.2:17|
[H][C@]12CC[C@]([H])(C\C(C1)=C/c1ccc(F)cc1)N2C[C@@H](O)c1ccccc1 |r,TLB:9:7:3.2:17|
[H][C@]12CC[C@]([H])(C\C(C1)=C\c1ccc(F)cc1)N2C[C@@H](O)c1ccccc1 |r,TLB:9:7:2.3:17,18:17:2.3:6.7.8|
[H][C@]12CC[C@]([H])(C\C(C1)=C/c1ccc(F)cc1)N2C[C@H](O)c1ccccc1 |r,TLB:9:7:3.2:17|
[H][C@]12CC[C@]([H])(C\C(C1)=C\c1ccc(Cl)cc1)N2C[C@H](O)c1ccccc1 |r,TLB:9:7:3.2:17|
[H][C@]12CC[C@]([H])(C\C(C1)=C/c1ccc(Cl)cc1)N2C[C@@H](O)c1ccccc1 |r,TLB:9:7:3.2:17|
[H][C@]12CC[C@]([H])(C\C(C1)=C\c1ccc(Cl)cc1)N2C[C@@H](O)c1ccccc1 |r,TLB:9:7:3.2:17|
[H][C@]12CC[C@]([H])(C\C(C1)=C/c1ccc(Cl)cc1)N2C[C@H](O)c1ccccc1 |r,TLB:9:7:3.2:17|
[H][C@]12CC[C@]([H])(C\C(C1)=C\c1ccccc1)N2C[C@H](O)c1ccc(F)cc1 |r,TLB:9:7:3.2:16|
[H][C@]12CC[C@]([H])(C\C(C1)=C/c1ccccc1)N2C[C@H](O)c1ccc(F)cc1 |r,TLB:9:7:3.2:16|
[H][C@]12CC[C@]([H])(C\C(C1)=C\c1ccc(F)cc1)N2C[C@H](O)c1ccc(F)cc1 |r,TLB:9:7:3.2:17|
[H][C@]12CC[C@]([H])(C\C(C1)=C/c1ccc(F)cc1)N2C[C@H](O)c1ccc(F)cc1 |r,TLB:9:7:3.2:17|
[H][C@]12CC[C@]([H])(C[C@@H](Cc3ccccc3)C1)N2C[C@H](O)c1ccccc1 |r,TLB:8:7:3.2:16|
[H][C@]12CC[C@]([H])(C[C@H](Cc3ccccc3)C1)N2C[C@@H](O)c1ccccc1 |r,TLB:8:7:3.2:16|
[H][C@]12CC[C@]([H])(C[C@H](Cc3ccccc3)C1)N2C[C@H](O)c1ccccc1 |r,TLB:8:7:3.2:16|
[H][C@]12CC[C@]([H])(C[C@@H](Cc3ccccc3)C1)N2C[C@@H](O)c1ccccc1 |r,TLB:8:7:3.2:16|
[H][C@]12CC[C@]([H])(C[C@@H](Cc3ccc(F)cc3)C1)N2C[C@H](O)c1ccccc1 |r,TLB:8:7:3.2:17|
[H][C@]12CC[C@]([H])(C[C@H](Cc3ccc(F)cc3)C1)N2C[C@@H](O)c1ccccc1 |r,TLB:8:7:3.2:17|
[H][C@]12CC[C@]([H])(C[C@H](Cc3ccc(F)cc3)C1)N2C[C@H](O)c1ccccc1 |r,TLB:8:7:3.2:17|
[H][C@]12CC[C@]([H])(C[C@@H](Cc3ccc(F)cc3)C1)N2C[C@@H](O)c1ccccc1 |r,TLB:8:7:3.2:17|
[H][C@]12CC[C@]([H])(C[C@@H](Cc3ccccc3)C1)N2C[C@H](O)c1ccc(F)cc1 |r,TLB:8:7:3.2:16|
[H][C@]12CC[C@]([H])(C[C@H](Cc3ccccc3)C1)N2C[C@H](O)c1ccc(F)cc1 |r,TLB:8:7:3.2:16|
[H][C@]12CC[C@]([H])(C[C@@H](Cc3ccc(F)cc3)C1)N2C[C@H](O)c1ccc(F)cc1 |r,TLB:8:7:3.2:17|
[H][C@]12CC[C@]([H])(C[C@H](Cc3ccc(F)cc3)C1)N2C[C@H](O)c1ccc(F)cc1 |r,TLB:8:7:3.2:17|
OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
CN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1
OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
NC(=O)c1ccc(cc1)C(=O)N1CCN(Cc2ccccc2)CC1
NC(=S)c1ccc(cc1)C(=O)N1CCN(Cc2ccccc2)CC1
NC(=O)c1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)CC1
NC(=S)c1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)CC1
NC(=O)c1ccc(cc1)C(=O)OCCCCN1CCC(O)(CC1)c1ccc(Cl)cc1
NC(=S)c1ccc(cc1)C(=O)OCCCCN1CCC(O)(CC1)c1ccc(Cl)cc1
NC(=O)c1ccc(cc1)C(=O)OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
NC(=S)c1ccc(cc1)C(=O)OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
c1cc(ccc1C(=O)N)C(=O)O
NC(=S)c1ccc(cc1)C(O)=O
Fc1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)CC1
COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(F)cc21
CNCCc1ccc(O)cc1
[H][C@]12C[C@@H](N3CCCC3)[C@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:15:12:3.2:11,4:3:11:12.14.13|
[H][C@@]12C[C@H](N3CCCC3)[C@@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:4:3:12.13.14:11,15:12:11:3.2|
[H][C@]12C[C@@H](N(C)C)[C@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:13:10:3.2:9,4:3:9:10.12.11|
[H][C@@]12C[C@H](N(C)C)[C@@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:4:3:10.11.12:9,13:10:9:3.2|
[H][C@]12CC[C@@H](N3CCCC3)[C@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:16:13:4.3.2:12,5:4:12:13.15.14|
[H][C@@]12CC[C@H](N3CCCC3)[C@@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:16:13:4.3.2:12,5:4:12:13.15.14|
CN(C)[C@@H]1CCC2CCN(C1C2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,TLB:1:3:11:9.7.8,THB:12:9:3.4.5:11|
CCCN1CCN(CC1)c1ccc2C3CC(N(CC3)C(=O)OCc3ccccc3)c2c1
CN1CCN(CC1)c1ccc2C3CC(N(CC3)C(=O)OCc3ccccc3)c2c1 |THB:28:27:12:14.16.15,9:10:12:14.16.15,17:14:27.10:12|
Clc1ccc2C3CC(N(CCc4ccccc4)CCC3)c2c1
OCCCN1CCCC2CC1c1cc(ccc21)-c1ccc(cc1)C(F)(F)F
CCCN1CCN(CC1)c1cccc(c1)C1CCCCN1C(=O)OCc1ccccc1
O=C(OCc1ccccc1)N1CCCCC1c1cccc(c1)N1CCN(CC1)C1CCCC1
OCCCN1CCN(CC1)c1cccc(c1)C1CCCCN1C(=O)OCc1ccccc1
CCOC(=O)CCN1CCN(CC1)c1cccc(c1)C1CCCCN1C(=O)OCc1ccccc1
CCCN1CCN(CC1)c1ccc(cc1)C1CCCCN1C(=O)OCc1ccccc1
CCCN1CCNC(C1)c1cccc(c1)C1COCCN1C(=O)OCc1ccccc1
O=C(OCc1ccccc1)N1CCOCC1c1cccc(c1)N1CCN(CC1)C1CCCC1
OCCCN1CCN(CC1)c1cccc(c1)C1COCCN1C(=O)OCc1ccccc1
CCCN1CCN(CC1)c1cccc(c1)C1CN(C)CCN1C(=O)OCc1ccccc1
CN1CCN(C(C1)c1cccc(c1)N1CCN(CC1)C1CCCC1)C(=O)OCc1ccccc1
CN1CCN(C(C1)c1cccc(c1)N1CCN(CCCO)CC1)C(=O)OCc1ccccc1
CCCN1CCN(CC1)c1cccc(c1)C1CCCCN1C(=O)OCc1cc(Cl)cc(Cl)c1
CCCN1CCN(CC1)c1cccc(c1)C1CCCCN1C(=O)\C=C\c1ccccc1
CCCN1CCN(CC1)c1cccc(c1)C1CCCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1
Clc1ccc(cc1)-c1noc(n1)-c1ccc(NC(=O)C2CN(Cc3ccco3)C(=O)C2)cc1
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-][N+](=O)C1=Cc2cc(F)ccc2OC1C(F)(F)F |t:3|
c1ccc(cc1)CN2CCC(CC2)NC(=O)c3ccc(cc3)I
CCCN(CCC)CCc1ccc(c(c1)OCCc2ccccc2)OC
[#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2\[#6]=[#6](\[#6])-[#6] |r,TLB:16:15:4.10.3:1|
c1ccc(cc1)C2(CCCCC2)C(=O)OCCN3CCOCC3
c1ccc2c(c1)CN(C2=O)CC3CCN(CC3)CC(=O)c4ccc(cc4)F
c1ccc(cc1)CCCN2CCC(=CC2)c3c[nH]c4c3cccn4
CC(C)([C@H](c1ccccc1)O)NCc2ccc3c(c2)CCC(=O)N3C
COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2CCCCCCCCCCN |TLB:22:21:16.18.17:20.13.14,THB:12:13:21:16.18.17|
CCN(C\C=C/c1ccc(C2CCCCC2)c(Cl)c1)C1CCCCC1
COc1cc2CCN(CCCCNC(=O)c3cc(C)ccc3OCCF)Cc2cc1OC
CCN(CC)CCNC(=O)c1ccc(OC)c(I)c1
FCCCc1ccc2n(CCN3CCCCCC3)c(=O)sc2c1
CCN1CCN(Cc2cccc3ccccc23)[C@@H](CCO)C1 |r|
CCN1CCN(Cc2cccc3ccccc23)[C@H](CCO)C1 |r|
OCC[C@H]1CN(CC2CCCCC2)CCN1Cc1ccc(cc1)-c1ccccc1 |r|
OCC[C@@H]1CN(CC2CCCCC2)CCN1Cc1ccc(cc1)-c1ccccc1 |r|
COc1cccc(OC)c1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)C1CCCCC1 |r,wU:10.10,13.17,(-7.33,.38,;-6,-.39,;-6,-1.93,;-7.33,-2.7,;-7.33,-4.24,;-6,-5,;-4.67,-4.24,;-3.34,-5.01,;-2,-4.24,;-4.67,-2.69,;-3.34,-1.92,;-2,-2.69,;-.67,-1.92,;-.67,-.38,;-2,.38,;-3.34,-.38,;.66,.38,;.66,1.93,;2,2.69,;3.33,1.92,;3.33,.38,;2,-.38,;4.67,2.69,;4.67,4.24,;6,5.01,;7.33,4.24,;7.33,2.69,;6,1.92,)|
Fc1cccc(F)c1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)C1CCCCC1 |r,wU:8.8,11.15,(43.39,-45.21,;44.16,-43.88,;45.7,-43.88,;46.47,-42.55,;45.7,-41.21,;44.16,-41.21,;43.39,-39.88,;43.39,-42.55,;41.85,-42.55,;41.08,-41.21,;39.54,-41.21,;38.77,-42.55,;39.54,-43.88,;41.08,-43.88,;37.23,-42.55,;36.46,-41.21,;34.92,-41.21,;34.15,-42.55,;34.92,-43.88,;36.46,-43.88,;32.61,-42.55,;31.84,-43.88,;30.3,-43.88,;29.53,-42.55,;30.3,-41.21,;31.84,-41.21,)|
CCCCCCNCC[C@H]1CCC[C@H](O1)c1ccccc1 |r|
CCCCCCNCC[C@@H]1CCC[C@@H](O1)c1ccccc1 |r|
C(CC1CCNC(C1)c1ccccc1)NCc1ccccc1
CCCCCCCNCCC1CCN(C)C(C1)c1ccccc1
CN(CCC1CCN(C)C(C1)c1ccccc1)Cc1ccccc1
CN1CCC(CCN2CCN(CC2)c2ccccc2)CC1c1ccccc1
C(C1CSC2(CCCCC2)S1)N1CCC(Cc2ccccc2)CC1
C(C1CSC2(CCCCC2)S1)N1CCN(Cc2ccccc2)CC1
Fc1ccc(CN2CCCC3(CCN(Cc4cc5ccc(Cl)cc5[nH]4)C3)C2)cc1F
Fc1ccc(CN2CCCC22CCN(Cc3cc4ccc(Cl)cc4[nH]3)C2)cc1F
Fc1ccc(CN2CCCC22CCN(Cc3cn4ccccc4n3)C2)cc1F
Cc1cc(NC(=O)CN2CCC3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)ccc1F
Cc1cc(NC(=O)CN2CCC3(CCCN3Cc3ccc(F)c(F)c3)C2)ccc1F
Cc1c(Cl)cccc1NC(=O)CN1CCC2(CCCN2Cc2ccc(F)c(F)c2)C1
Cc1c(Cl)cccc1NC(=O)CN1CCC2(CCCN2Cc2ccc(F)c(F)c2)CC1
Cc1ccc(CN2CCC[C@@H](C2)OCc2ccc(F)c(C)c2)cc1 |r|
COc1ccc(CO[C@H]2CCCN(Cc3ccc(C)cc3)C2)cc1F |r|
Cc1ccc(CO[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 |r|
Cc1ccc(CO[C@H]2CCCN(Cc3ccc(cc3)C#N)C2)cc1 |r|
COc1ccc(CN2CCC[C@H](C2)OCc2ccc(F)c(C)c2)cc1F |r|
COc1ccc(CN2CCC[C@@H](C2)OCc2ccc(F)c(C)c2)cc1F |r|
Cc1cc(NC(=O)CN2CCC(CC2)OCc2ccc(F)c(F)c2)ccc1F
Cc1c(Cl)cccc1NC(=O)CN1CCC(CC1)OCc1ccc(F)c(F)c1
Cc1ccccc1CO[C@H]1CCCN(Cc2ccc3n(C)ncc3c2)C1 |r|
Cn1ncc2cc(CN3CCC(CC3)OCc3ccc(F)c(F)c3)ccc12
FC(F)(F)c1cccc(COC2CCN(Cc3ccc4[nH]cnc4c3)CC2)c1
Fc1cc(COC2CCN(Cc3ccc4[nH]cnc4c3)CC2)ccc1Cl
Fc1ccc(COC2CCN(Cc3ccc4[nH]cnc4c3)CC2)cc1F
CN(C)c1ccc2C(=O)N(Oc3cccc4C(CCCN5CCN(CC5)C5CCCCC5)CCCc34)C(=O)c2c1
CC1CCN(CCCCc2cccc3cc(OCCCCCCN4C(=O)c5ccc(cc5C4=O)N(C)C)ccc23)CC1
COc1cc2CCN(CCCN3CCc4c(OCCCCCCN5C(=O)c6ccc(cc6C5=O)N(C)C)cccc4C3=O)Cc2cc1OC
COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2CCCCCCCCCCS(=O)(=O)c1cccc2c(cccc12)N(C)C |TLB:12:13:21:16.17.18|
COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2CCCCCCCCCCNc1ccc([N+]([O-])=O)c2nonc12 |TLB:12:13:21:16.17.18|
CN(C)c1ccc2C(=O)N(CCCn3cc(CCCCN4CCC5(CC4)OCc4ccccc54)c4ccccc34)C(=O)c2c1
CN(C)c1ccc2C(=O)N(CCCCCCn3cc(CCCCN4CCC5(CC4)OCc4ccccc54)c4ccccc34)C(=O)c2c1
F[B-]1(F)n2c(ccc2-c2ccc(OCC(=O)NCCCCCCn3cc(CCCCN4CCC5(CC4)OCc4ccccc54)c4ccccc34)cc2)C=C2C=CC(c3cccs3)=[N+]12 |c:61,t:59,69|
C[N+]1=C(C=CC=CC=C2/N(CCCCCC(=O)NCCCCCCn3cc(CCCCN4CCC5(CC4)OCc4ccccc54)c4ccccc34)c3ccccc3C2(C)C)C(C)(C)c2ccccc12
C[N+]1=C(C=CC=CC=CC=C2/N(CCCCCC(=O)NCCCCCCn3cc(CCCCN4CCC5(CC4)OCc4ccccc54)c4ccccc34)c3ccccc3C2(C)C)C(C)(C)c2ccccc12
CN(C)c1ccc2C(=O)N(C(=O)c2c1)c1ccc2ccn(CCCCN3CCC4(CC3)OCc3ccccc43)c2c1
C[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)Nc3ccc4ccn(CCCCN5CCC6(CC5)OCc5ccccc65)c4c3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12
C[N+]1=C(C=CC=CC=CC=C2N(CCCCCC(=O)Nc3ccc4ccn(CCCCN5CCC6(CC5)OCc5ccccc65)c4c3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12
C(CCn1ccc2ccccc12)CN1CCC2(CC1)OCc1ccccc21
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCNc1ccccc1 |TLB:16:15:1:10.4.3|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN(C)c1ccccc1 |TLB:16:15:1:10.4.3|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCOCC1 |TLB:16:15:1:10.4.3|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCCCC1 |TLB:16:15:1:10.4.3|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCC1 |TLB:16:15:1:10.4.3|
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCCC1 |TLB:16:15:1:10.4.3|
[#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |r,TLB:16:15:10.4.3:1|
[H][C@@]12Cc3ccc(O)cc3[C@](C)(CCN1Cc1ccccc1)[C@@H]2C |r,THB:15:14:22:9.3.2,8:9:22:14.12.13|
C[C@@H]1[C@@H]2Cc3ccccc3[C@]1(C)CCN2CCN1CCCC1 |r,TLB:15:14:9.4.3:1|
C[C@@H]1[C@@H]2Cc3ccccc3[C@]1(C)CCN2CCN1CCCCC1 |r,TLB:15:14:9.4.3:1|
C[C@@H]1[C@@H]2Cc3ccccc3[C@]1(C)CCN2CCN(C)c1ccccc1 |r,TLB:15:14:9.4.3:1|
C[C@@H]1[C@@H]2Cc3ccccc3[C@]1(C)CCN2CCNc1ccccc1 |r,TLB:15:14:9.4.3:1|
[#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(F)cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |r,TLB:16:15:10.4.3:1|
C[C@@H]1[C@@H]2Cc3ccc(cc3[C@]1(C)CCN2Cc1ccccc1)N(C)C |r,TLB:15:14:9.4.3:1|
C[C@@H]1[C@@H]2Cc3ccc(N)cc3[C@]1(C)CCN2Cc1ccccc1 |r,TLB:16:15:10.4.3:1|
C[C@@H]1[C@@H]2Cc3ccccc3[C@]1(C)CCN2Cc1ccccc1 |r,TLB:15:14:9.4.3:1|
[#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])c(Cl)c3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |r,TLB:17:16:11.4.3:1|
[#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])c(Br)c3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |r,TLB:17:16:11.4.3:1|
C[C@@H]1[C@@H]2Cc3cc(I)c(O)cc3[C@]1(C)CCN2Cc1ccccc1 |r,TLB:17:16:11.4.3:1|
C[C@@H]1[C@@H]2Cc3ccc(O)c(Br)c3[C@]1(C)CCN2Cc1ccccc1 |r,TLB:17:16:11.4.3:1|
C[C@@H]1[C@@H]2Cc3ccc(O)c(Cl)c3[C@]1(C)CCN2Cc1ccccc1 |r,TLB:17:16:11.4.3:1|
[H][C@@]12CCN(Cc3ccccc3)[C@H](Cc3ccccc13)[C@@H]2C(C)C |r,THB:5:4:19.14.13:20|
[H][C@@]12CCN(Cc3ccccc3)[C@H](Cc3ccccc13)[C@@H]2CC |r,THB:5:4:19.14.13:20|
[H][C@@]12CCN(Cc3ccccc3)[C@H](Cc3ccccc13)[C@@H]2C |r,THB:5:4:19.14.13:20|
[H][C@@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CC=C)CC1 |r,TLB:19:18:2:5.6.7,8:5:23.18:2,THB:22:23:2:5.6.7|
[H][C@@]12C[C@@]([H])(N(CC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1cc(ccc21)N1CCN(C)CC1 |r,TLB:20:19:2:5.6.7,8:5:24.19:2,THB:23:24:2:5.6.7|
[H][C@@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(C\C=C\C)CC1 |r,TLB:19:18:2:5.6.7,8:5:23.18:2,THB:22:23:2:5.6.7|
[H][C@@]12[#6][C@@]([H])([#7](-[#6]-[#6]1)-[#6](=O)-[#8]-[#6]-c1ccccc1)c1cc(ccc21)-[#7]-1-[#6]-[#6]-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]-1 |r,TLB:19:18:2:5.6.7,8:5:23.18:2,THB:22:23:2:5.6.7|
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cccc2cccnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cccc2ccc(C)nc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cccc2cc(C)cnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1ccc(C)c2cccnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cc(C)cc2cccnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1c(C)ccc2cccnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cccc2ccc(OC)nc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1ccc(OC)c2cccnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cc(OC)cc2cccnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1c(OC)ccc2cccnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cccc2ccc(Cl)nc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cccc2cc(Cl)cnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cccc2c(Cl)ccnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1ccc(Cl)c2cccnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cc(Cl)cc2cccnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1ccc(F)c2cccnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cc(F)cc2cccnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cc(Br)cc2cccnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cc(cc2cccnc12)C(F)(F)F
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cc(O)cc2cccnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cc(cc2cccnc12)C#N
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cc(cc2cccnc12)C1CC1
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cc(C)c(Cl)c2cccnc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1ccc(OC)c2ccc(OC)nc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1ccc(Cl)c2ccc(OC)nc12
CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cc(F)c(Cl)c2cccnc12
CN(C)CCNc1cnc(cn1)C(=O)Nc1cc(F)cc2cccnc12
CN(C)CCCNc1cnc(cn1)C(=O)Nc1cc(F)cc2cccnc12
CN(C)CCOc1cnc(cn1)C(=O)Nc1cc(F)cc2cccnc12
Fc1cc(NC(=O)c2cnc(NCCN3CCCC3)cn2)c2ncccc2c1
Fc1cc(NC(=O)c2cnc(NCCN3CCS(=O)(=O)CC3)cn2)c2ncccc2c1
CN(C)CCNS(=O)(=O)c1cnc(cn1)C(=O)Nc1cc(C)cc2cccnc12
Cc1cc(NC(=O)c2cnc(cn2)N2CCN(CCN)CC2)c2ncccc2c1
Cc1cc(NC(=O)c2cnc(NCCN3CCNCC3)cn2)c2ncccc2c1
CCN(CCO)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cc(C)cc2cccnc12
Cc1cc(NC(=O)c2cnc(OC3CCNCC3)cn2)c2ncccc2c1
CCN(CC)CCCC(C)NCC(=O)Nc1cc(C)cc2cccnc12
CCN(CC)CCCC(C)Nc1cnc(CNc2cc(F)cc3cccnc23)cn1
CCN(CC)CCCC(C)Nc1nc(cs1)C(=O)Nc1cc(F)cc2cccnc12
CCN(CC)CCCC(C)Nc1ccc(nc1)S(=O)(=O)Nc1cc(F)cc2cccnc12
COc1cc2CCN(CCCCn3c4ccccc4n(C)c3=O)Cc2cc1OC
[H][C@]12C[C@](CCN1C)(CC(=O)\C2=C\c1ccc(Cl)c(Cl)c1)c1cccc(O)c1 |r|
CC(=O)c1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3N)c(=O)oc2c1
Cc1cc(on1)-c1cnc(C)nc1C1CCN(CC(=O)N2CCOCC2)CC1
Cc1cc(on1)-c1cncnc1C1CCN(CC(=O)N2CCOCC2)CC1
CCc1ncc(-c2cc(C)no2)c(n1)C1CCN(CC(=O)N2CCOCC2)CC1
CC(C)c1ncc(-c2cc(C)no2)c(n1)C1CCN(CC(=O)N2CCOCC2)CC1
CCCc1ncc(-c2cc(C)no2)c(n1)C1CCN(CC(=O)N2CCOCC2)CC1
Cc1cc(on1)-c1cnc(nc1C1CCN(CC(=O)N2CCOCC2)CC1)C1CC1
Cc1cc(on1)-c1cnc(nc1C1CCN(CC(=O)N2CCOCC2)CC1)C(F)(F)F
CCc1ncc(-c2cc(C)no2)c(n1)C1CCN(CC(=O)N2CCCCC2)CC1
CCCc1ncc(-c2cc(C)no2)c(n1)C1CCN(CC(=O)N2CCC(F)(F)CC2)CC1
CCc1ncc(-c2cc(C)no2)c(n1)C1CCN(CC(=O)N2CCCOCC2)CC1
CCc1ncc(-c2cc(C)no2)c(n1)C1CCN(CC(=O)N2CCC3(CCOC3)CC2)CC1
CCc1ncc(-c2cc(C)no2)c(n1)C1CCN(CC(=O)N2CCCN(C)CC2)CC1
CCc1ncc(-c2ccncc2)c(n1)C1CCN(CC(=O)N2CCOCC2)CC1
CCc1ncc(-c2ccccn2)c(n1)C1CCN(CC(=O)N2CCOCC2)CC1
CCc1ncc(-c2cccc(C)n2)c(n1)C1CCN(CC(=O)N2CCOCC2)CC1
CCc1ncc(-c2nccn2C)c(n1)C1CCN(CC(=O)N2CCOCC2)CC1
Cc1cc(on1)-c1cnc(C)nc1C1CCN(CC1)C(=O)CN1CCOCC1
CCc1ncc(-c2cc(C)no2)c(n1)C1CCN(CCC(=O)N2CCOCC2)CC1
CCc1ncc(-c2cc(C)no2)c(n1)C1CCN(CCN2CCOCC2)CC1
CCc1ncc(-c2cc(C)no2)c(n1)C1CCN(CC(=O)N2CCOCC2)C1
CCc1ncc(-c2cc(C)no2)c(n1)[C@@H]1CCCN(CC(=O)N2CCOCC2)C1 |r|
CCc1ncc(-c2cc(C)no2)c(n1)[C@H]1CCCN(CC(=O)N2CCOCC2)C1 |r|
CCc1ncc(-c2cc(C)no2)c(n1)C1CCCN(CC(=O)N2CCOCC2)CC1
CCn1cc(-c2cc(C)no2)c(n1)C1CCN(CC(=O)N2CCOCC2)CC1
CCn1ncc(-c2cc(C)no2)c1C1CCN(CC(=O)N2CCOCC2)CC1
C(CN1CCN(CC1)c1ccccn1)Cc1nc2ccccc2s1
[H][C@]12C[C@H](CCOC)[C@]3([H])N(C1)CCc1c([nH]c4ccc(OC)cc14)[C@@]3(C2)C(=O)OC |r,TLB:4:3:26.25:10.11,THB:3:8:14.15.13.12:26.1.11,15:25:3.2:10.11,12:10:26.25:3.2|
CN1C2CCCC1CC(C2)Nc1ccccc1Br |TLB:0:1:7.9.8:3.5.4,10:8:1:3.5.4|
C(N1CCC2(CCN(C2)c2ccccc2)C1)c1ccccc1
C(Cc1ccccc1)N1CCC2(CCN(C2)c2ccccc2)C1
C(CN1CCC2(CCN(C2)c2ccccc2)C1)Cc1ccccc1
C(N1CCC2(CCN(Cc3ccccc3)C2)C1)c1ccccc1
C(Cc1ccccc1)N1CCC2(CCN(Cc3ccccc3)C2)C1
C(CN1CCC2(CCN(Cc3ccccc3)C2)C1)Cc1ccccc1
C(Cc1ccccc1)N1CCC2(CCN(CCc3ccccc3)C2)C1
C(CN1CCC2(CCN(CCc3ccccc3)C2)C1)Cc1ccccc1
C(CN1CCC2(CCN(CCCc3ccccc3)C2)C1)Cc1ccccc1
N1c2ccccc2Sc2ccccc12
[O-][N+](=O)c1ccc(cc1)N1CCC2(CCN(CCc3ccccc3)C2)C1
COc1ccc(cc1)N1CCC2(CCN(CCc3ccccc3)C2)C1
CC(=O)c1ccc(cc1)N1CCC2(CCN(CCc3ccccc3)C2)C1
N#Cc1ccc(cc1)N1CCC2(CCN(CCc3ccccc3)C2)C1
Clc1ccc(CC(=O)N2CCC3(CCN(CCc4ccccc4)C3)C2)cc1Cl
COc1ccc(CC(=O)N2CCC3(CCN(CCc4ccccc4)C3)C2)cc1OC
O=C(N1CCC2(CCN(CCc3ccccc3)C2)C1)c1ccccc1
O=C(Cc1ccccc1)N1CCC2(CCN(CCc3ccccc3)C2)C1
Clc1ccc(CCN2CCC3(CCN(CCc4ccccc4)C3)C2)cc1Cl
COc1ccc(CCN2CCC3(CCN(CCc4ccccc4)C3)C2)cc1OC
COC1Cc2ccccc2C2(CCC(CC2)N(C)CC2CCCCC2)O1 |(-5.33,4.62,;-4,3.85,;-4,2.31,;-5.33,1.54,;-5.33,0,;-6.67,-.77,;-6.67,-2.32,;-5.33,-3.08,;-4,-2.31,;-4,-.77,;-2.67,-0,;-1.33,.77,;0,-0,;0,-1.54,;-1.33,-2.31,;-2.67,-1.54,;1.34,-2.31,;1.34,-3.85,;2.67,-1.54,;4,-2.31,;5.34,-1.54,;6.67,-2.31,;6.67,-3.85,;5.34,-4.62,;4,-3.85,;-2.66,1.54,)|
C(N1CCC2(CC1)OCC(CO2)c1ccccc1)c1ccccc1
O=C(CN1CCC(Cc2ccccc2)CC1)N1CCN(CC1)c1ccccc1
Oc1ccc(cc1)N1CCN(CC1)C(=O)CN1CCC(Cc2ccccc2)CC1
O=C(CCN1CCC(Cc2ccccc2)CC1)N1CCN(CC1)c1ccccc1
Oc1ccc(cc1)N1CCN(CC1)C(=O)CCN1CCC(Cc2ccccc2)CC1
Oc1ccc(cc1)N1CCN(CC1)C(=O)CCN1CCC(Cc2ccc(F)cc2)CC1
Fc1ccc(CN2CCN(CC2)C(=O)c2cc3ccccc3s2)cc1
Fc1ccc(CN2CCN(CC2)C(=O)c2cc3ccccc3o2)cc1
Cc1ccc(o1)C(=O)N1CCN(Cc2ccc(F)cc2)CC1
[O-][N+](=O)c1ccc(s1)C(=O)N1CCN(Cc2ccc(F)cc2)CC1
Fc1ccc(CN2CCN(CC2)C(=O)Cc2ccccc2Br)cc1
Fc1ccc(CN2CCN(CC2)C(=O)C(c2ccccc2)c2ccccc2)cc1
Oc1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1
Oc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
C(C1COC2(CCCCC2)O1)N1CCN(Cc2ccccc2)CC1
C(C1CSC2(CCCCC2)O1)N1CCN(Cc2ccccc2)CC1
CC1(C)SCC(CN2CCC(Cc3ccccc3)CC2)S1
C(C1CSCS1)N1CCN(Cc2ccccc2)CC1
C(CN1CCC(Cc2ccccc2)CC1)Oc1ccccc1
C(COc1ccccc1)CN1CCC(Cc2ccccc2)CC1
OC(=O)c1cc(-c2ccc(cc2)C2=CC3(CNC3)C2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F |t:13|
OC(=O)c1cc(-c2ccc(cc2)C2CCCNCC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
COC(=O)[C@@]1(C[C@@H]1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 |r|
CCCN(C1CCCc2ccc(cc12)N1CCN(CCC)CC1)C(=O)OCc1ccccc1
CCOC(=O)CCN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)OCc3ccccc3)c2c1
CCCN1CCN(CC1)c1ccc2CCCC(OCc3ccccc3)c2c1
CCCN1CCN(CC1)c1ccc2CCCC(N(CC)C(=O)OCc3ccccc3)c2c1
CCOC(=O)CN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)OCc3ccccc3)c2c1
CN(C1CCCc2ccc(cc12)N1CCN(CC1)C1CCC1)C(=O)OCc1ccccc1
CN(C1CCCc2ccc(cc12)N1CCN(C)CC1)C(=O)OCc1ccccc1
CCN(CC)C(=O)CCN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)OCc3ccccc3)c2c1
CC(C)N1CCN(CC1)c1ccc2CCCC(N(C)C(=O)OCc3ccccc3)c2c1
CCCN1CCN(CC1)c1ccc2CCCC(OC(=O)CCc3ccccc3)c2c1
CCCN1CCN(CC1)c1ccc2C(CCCc2c1)N(C)C(=O)OCc1ccccc1
CN(C1CCCc2ccc(cc12)N1CCN(CCCO)CC1)C(=O)OCc1ccccc1
CCCN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)OCc3ccccc3)c2c1
CCCN1CCN(CC1)c1cccc2C(CCCc12)N(C)C(=O)OCc1ccccc1
CN(C1CCCc2ccc(cc12)N1CCN(CC1)C1CCCCC1)C(=O)OCc1ccccc1
CN(C1CCCc2ccc(cc12)N1CCN(CC1)C1CCCC1)C(=O)OCc1ccccc1
CCN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)OCc3ccccc3)c2c1
CCCN1CCN(CC1)c1ccc2CCCC(N(CCCCCCCCCCCN)C(=O)OCc3ccccc3)c2c1
[H][C@]12C[C@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CCC)CC1 |r|
[H][C@@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CCC)CC1 |r|
COCCN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)OCc3ccccc3)c2c1
CCCN1CCN(CC1)c1ccc2CCCC(OCCCc3ccccc3)c2c1
CCCN1CCN(CC1)c1ccc2CCCC(OC\C=C\c3ccccc3)c2c1
CCCN1CCN(CC1)c1ccc2CCCC(N(CCCO)C(=O)OCc3ccccc3)c2c1
CCCN1CCN(CC1)c1ccc2CCCC(N(CCC(=O)OCC)C(=O)OCc3ccccc3)c2c1
CCCN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)\C=C\c3ccccc3)c2c1
CCCN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)CCc3ccccc3)c2c1
CCCN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)Cc3ccccc3)c2c1
Cc1ccc(CCCN2CC3(C2)CN(C(=O)C3)c2ccccc2)cc1
CC1CCCN(CCCOc2ccc(cc2)-c2ccccc2)C1
CC1CCN(CCCOc2ccc(cc2)-c2ccccc2)CC1
C(COc1ccc(cc1)-c1ccccc1)CN1CCCCCC1
C(COc1ccc(cc1)-c1ccccc1)CN1CCCC1
N#Cc1ccc(cc1)-c1ccc(OCCCN2CCCCC2)cc1
C(COc1ccc(Oc2ccccc2)cc1)CN1CCCCC1
C(COc1ccc(Nc2ccccc2)cc1)CN1CCCCC1
C(COc1ccc(Cc2ccccc2)cc1)CN1CCCCC1
C(CCN1CCCCC1)COc1ccc(cc1)-c1ccccc1
C(CCOc1ccc(cc1)-c1ccccc1)CCN1CCCCC1
C(CCCN1CCCCC1)CCOc1ccc(cc1)-c1ccccc1
N#Cc1ccc(cc1)-c1ccc(OCCCN2CCC(CC2)c2ccncc2)cc1
C(COc1ccc(Oc2ccccc2)cc1)CN1CCC(CC1)c1ccncc1
C(COc1ccc(Nc2ccccc2)cc1)CN1CCC(CC1)c1ccncc1
C(COc1ccc(Cc2ccccc2)cc1)CN1CCC(CC1)c1ccncc1
CC(C)(C)c1ccc(OCCCCN2CCN(CC2)c2cnccn2)cc1
Clc1ccc(CCCOCCCN2CCCCC2)cc1
O=C(C1CC1)c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
N#Cc1ccc(cc1)-c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
O=C(C1CC1)c1ccc(OCCCN2CCC(CC2)c2ccncc2)cc1
C(COc1ccc(cc1)-c1ccccc1)CN1CCCCC1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C#C)c2c(NCc3ccccc3)ncnc12 |r|
C[C@H](Nc1ncnc2n(cc(c12)C(F)(F)F)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 |r|
C[C@@H](Nc1ncnc2n(cc(c12)C(F)(F)F)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(c2c(NCc3ccccc3Cl)ncnc12)C(F)(F)F |r|
C(C#Cc1ccc2[nH]ncc2c1)N1CCC(Cc2ccccc2)CC1
Fc1ccc(CC2CCN(CC#Cc3ccc4[nH]ncc4c3)CC2)cc1
Fc1ccccc1CC1CCN(CC#Cc2ccc3[nH]ncc3c2)CC1
C(C#Cc1ccc2cn[nH]c2c1)N1CCC(Cc2ccccc2)CC1
Fc1ccc(CC2CCN(CC#Cc3ccc4cn[nH]c4c3)CC2)cc1
Cn1ncc2cc(ccc12)C#CCN1CCC(Cc2ccccc2)CC1
Cn1ncc2cc(ccc12)C#CCN1CCC(Cc2ccc(F)cc2)CC1
Cn1cc2cc(ccc2n1)C#CCN1CCC(Cc2ccccc2)CC1
Cn1cc2cc(ccc2n1)C#CCN1CCC(Cc2ccc(F)cc2)CC1
O=C(CCN1CCC(Cc2ccccc2)CC1)c1ccc2[nH]ncc2c1
Fc1ccc(CC2CCN(CCC(=O)c3ccc4[nH]ncc4c3)CC2)cc1
Fc1ccccc1CC1CCN(CCC(=O)c2ccc3[nH]ncc3c2)CC1
OC(CCN1CCC(Cc2ccccc2)CC1)c1ccc2[nH]ncc2c1
OC(CCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc2[nH]ncc2c1
OC(CCN1CCC(Cc2ccccc2F)CC1)c1ccc2[nH]ncc2c1
C(\C=C\c1ccc2[nH]ncc2c1)N1CCC(Cc2ccccc2)CC1
Fc1ccc(CC2CCN(C\C=C\c3ccc4[nH]ncc4c3)CC2)cc1
C(\C=C/c1ccc2[nH]ncc2c1)N1CCC(Cc2ccccc2)CC1
Fc1ccc(CC2CCN(C\C=C/c3ccc4[nH]ncc4c3)CC2)cc1
C(CN1CCC(Cc2ccccc2)CC1)Cc1ccc2[nH]ncc2c1
Fc1ccc(CC2CCN(CCCc3ccc4[nH]ncc4c3)CC2)cc1
Oc1ccc(cc1)C#CCN1CCC(Cc2ccc(F)cc2)CC1
O[C@@H](CCN1CCC(Cc2ccccc2)CC1)c1ccc2[nH]ncc2c1 |r|
O[C@H](CCN1CCC(Cc2ccccc2)CC1)c1ccc2[nH]ncc2c1 |r|
[H][C@]1(CC[C@@H](C)C[C@H]1O)[C@@](C)(O)CNCCCCc1ccccc1 |r|
[H][C@]1(CC[C@@H](C)C[C@H]1O)[C@](C)(O)CNCCCCc1ccccc1 |r|
[H][C@]1(CC[C@@H](C)C[C@@H]1O)[C@@](C)(O)CNCCCCc1ccccc1 |r|
[H][C@]1(CC[C@@H](C)C[C@@H]1O)[C@](C)(O)CNCCCCc1ccccc1 |r|
[H][C@]1(CC[C@@H](C)C[C@H]1O)[C@@](C)(O)CN1CCC(Cc2ccccc2)CC1 |r|
[H][C@]1(CC[C@@H](C)C[C@H]1O)[C@](C)(O)CN1CCC(Cc2ccccc2)CC1 |r|
[H][C@]1(CC[C@@H](C)C[C@@H]1O)[C@@](C)(O)CN1CCC(Cc2ccccc2)CC1 |r|
[H][C@]1(CC[C@@H](C)C[C@@H]1O)[C@](C)(O)CN1CCC(Cc2ccccc2)CC1 |r|
[H][C@]1(CC[C@@H](C)C[C@H]1O)[C@@](C)(O)CN1CCC(Cc2ccc(OC)cc2)CC1 |r|
[H][C@@]12C[C@H](C)CC[C@@]1([H])[C@](C)(CNCCCCc1ccccc1)OCO2 |r|
[H][C@@]12C[C@H](C)CC[C@@]1([H])[C@@](C)(CNCCCCc1ccccc1)OCO2 |r|
[H][C@]12C[C@H](C)CC[C@@]1([H])[C@](C)(CNCCCCc1ccccc1)OCO2 |r|
[H][C@]12C[C@H](C)CC[C@@]1([H])[C@@](C)(CNCCCCc1ccccc1)OCO2 |r|
[H][C@@]12C[C@H](C)CC[C@@]1([H])[C@](C)(CN1CCC(Cc3ccccc3)CC1)OCO2 |r|
[H][C@@]12C[C@H](C)CC[C@@]1([H])[C@@](C)(CN1CCC(Cc3ccccc3)CC1)OCO2 |r|
[H][C@]12C[C@H](C)CC[C@@]1([H])[C@](C)(CN1CCC(Cc3ccccc3)CC1)OCO2 |r|
[H][C@]12C[C@H](C)CC[C@@]1([H])[C@@](C)(CN1CCC(Cc3ccccc3)CC1)OCO2 |r|
[H][C@@]12C[C@H](C)CC[C@@]1([H])[C@](C)(CN1CCC(Cc3ccccc3)CC1)OC(C)(C)O2 |r|
[H][C@@]12C[C@H](C)CC[C@@]1([H])[C@@](C)(CN1CCC(Cc3ccccc3)CC1)OC(C)(C)O2 |r|
[H][C@@]12CN(CCCCc3ccccc3)C[C@@](C)(O1)[C@]1([H])CC[C@@H](C)C[C@@]1([H])O2 |r|
[H][C@@]12CN(CCCCc3ccccc3)C[C@@](C)(O1)[C@]1([H])CC[C@@H](C)C[C@]1([H])O2 |r|
CC(C)(C)Cc1c(sc(N)c1C(=O)c1ccc(Cl)cc1)C#Cc1ccccc1F
CC(c1cccs1)n1cnc2sc3c(c2c1=O)CCNC3
C[C@H](c1ccc(F)c(F)c1)n1cnc2sc3c(c2c1=O)CCNC3
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F
CC1=CC[C@@H]2C[C@H]1[C@H](c1ccc(C(F)(F)F)cc1)NC2(C)C
CC1=CC[C@@H]2C[C@H]1[C@H](c1ccc(C(C)C)cc1)NC2(C)C
CC1=CC[C@@H]2C[C@H]1[C@H](c1ccc(C(F)(F)F)c(F)c1)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
CC1=CC[C@@H]2C[C@H]1[C@H](c1cc(F)cc(F)c1)NC2(C)C
Nc1cccc2c1C(=O)N(C1CCCNC1)C2=O
CN1CCCC(N2C(=O)c3cccc(N)c3C2=O)C1
CC(=O)N1CCCC(N2C(=O)c3cccc(N)c3C2=O)C1
O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(C4CCC4)CC3)ccc12
O=C(OCc1ccccc1)N1CC[C@H]2C[C@@H]1c1cc(N3CCN(C4CCC4)CC3)ccc12
O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCO)CC3)ccc12
O=C(OCc1ccccc1)N1CC[C@H]2C[C@@H]1c1cc(N3CCN(CCO)CC3)ccc12
COCCN1CCN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1
COCCN1CCN(c2ccc3c(c2)[C@H]2C[C@@H]3CCN2C(=O)OCc2ccccc2)CC1
O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCCF)CC3)ccc12
O=C(OCc1ccccc1)N1CC[C@H]2C[C@@H]1c1cc(N3CCN(CCCF)CC3)ccc12
CN(C)CCC(=O)N1CCN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1
CN1CCC(C(=O)N2CCN(c3ccc4c(c3)[C@@H]3C[C@H]4CCN3C(=O)OCc3ccccc3)CC2)CC1
O=C(OCc1ccccc1F)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCCF)CC3)ccc12
O=C(OCc1cccc(F)c1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCCF)CC3)ccc12
O=C(OCc1ccc(F)cc1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCCF)CC3)ccc12
O=C(OCc1ccc(Cl)cc1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCCF)CC3)ccc12
O=C(OCc1ccc(C(F)(F)F)cc1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCCF)CC3)ccc12
O=C(OCc1cc(Cl)cc(Cl)c1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCCF)CC3)ccc12
O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCCF)CC3)ccc12
O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3CCCN(CCCF)CC3)ccc12
CCCCN1C[C@@H]2CN(c3ccc4c(c3)[C@@H]3C[C@H]4CCN3C(=O)OCc3ccccc3)C[C@@H]2C1
O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3C4CCC3CN(CCCF)C4)ccc12
O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3CC4CCC(C3)N4CCCF)ccc12
O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3C4CC3CN(CCCF)C4)ccc12
O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3CC4(CCN(CCCF)CC4)C3)ccc12
CN(C)CCOC1CN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)C1
CN(C)CCCOC1CN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)C1
CN(C)CCOC1CCN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1
COCCCN1CCN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1
CCN(CC)C(=O)CCN1CCN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1
CNCCN1CCN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1
CN(C)CCN1CCN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1
CN1CC(CN2CCN(c3ccc4c(c3)[C@@H]3C[C@H]4CCN3C(=O)OCc3ccccc3)CC2)C1
CNCCC(=O)N1CCN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1
CN1CC(C(=O)N2CCN(c3ccc4c(c3)[C@@H]3C[C@H]4CCN3C(=O)OCc3ccccc3)CC2)C1
O=C(/C=C/c1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCCF)CC3)ccc12
O=C(CCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(CCCF)CC3)ccc12
CN(C)C1CCN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(CC1)C(C)C
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(C)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(CCC)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(CC1)C(C)C |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(CC1)C1CCC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CC1)C1CCC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(CC2CCCC2)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CC2CCCC2)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(Cc2ccccc2)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(CC=C)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(CC(C)=C)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(Cc3ccccc3)CC1)c1cc(ccc21)-c1cccc(OC)c1 |r,TLB:16:15:2:5.13.14,6:5:2:20.15,THB:19:20:2:5.13.14|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CC1)C(C)C |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(CC1)C1CCCC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(CCC(=O)OC)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(Cc3ccccc3)CC1)c1ccc(cc21)N1CCOCC1 |r,TLB:16:15:2:5.13.14,6:5:2:20.15,THB:19:20:2:5.13.14|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(ccc21)N1CCN(Cc2ccccc2)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(CCC(=O)OCC)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(Cc3ccccc3)CC1)c1ccc(cc21)-c1cccc(OC)c1 |r,TLB:16:15:2:5.13.14,6:5:2:20.15,THB:19:20:2:5.13.14|
[H][C@]12C[C@@]([H])(N(CC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccc(cc21)N1CCN(C)CC1 |r,TLB:8:5:2:24.19,20:19:2:5.6.7,THB:23:24:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(CCC(=O)OC)CC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@@]([H])(N(CC1)C(=O)OCc1ccccc1)c1ccc(cc21)N1CCN(CC1)C1CCCCC1 |r,TLB:19:18:2:5.6.7,8:5:2:23.18,THB:22:23:2:5.6.7|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)OCCc1ccccc1 |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(cc12)C#Cc1ccc(Cl)s1)C(=O)OCC |r|