1686 SMILES Strings for Transporter

Compound Name
SMILES String
CC(=O)c1ccc2n(CCCCN3CCN(CC3)c3ccc(F)cc3)c(=O)oc2c1
S=c1sc2ccccc2n1CCCCN1CCN(CC1)C1CCCCC1
NC(=O)CSC(c1ccccc1)c1ccccc1
NC(=O)CSC(c1cccc(Cl)c1)c1cccc(Cl)c1
CNC(=O)CSC(c1ccccc1)c1ccccc1
CNC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
CNC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1
C=CCNC(=O)CSC(c1ccccc1)c1ccccc1
CCCNC(=O)CSC(c1ccccc1)c1ccccc1
CCCNC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1
CCCNC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
CCCNC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1
O=C(CSC(c1ccccc1)c1ccccc1)NC1CC1
Fc1ccc(cc1)C(SCC(=O)NC1CC1)c1ccc(F)cc1
Brc1ccc(cc1)C(SCC(=O)NC1CC1)c1ccc(Br)cc1
CCCCNC(=O)CSC(c1ccccc1)c1ccccc1
CCCCNC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1
CCCCNC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1
Fc1ccc(cc1)C(SCC(=O)NCCCc1ccccc1)c1ccc(F)cc1
Clc1ccc(CCCNC(=O)CSC(c2ccccc2)c2ccc(Cl)cc2)cc1
Brc1ccc(cc1)C(SCC(=O)NCCCc1ccccc1)c1ccc(Br)cc1
O=C(CSC(c1ccccc1)c1ccccc1)NCCCCc1ccccc1
CNC(=O)CS(=O)C(c1ccccc1)c1ccccc1
NC(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
NCCSC(c1ccccc1)c1ccccc1
NCCSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
NCCSC(c1ccc(Br)cc1)c1ccc(Br)cc1
C(CSC(c1ccccc1)c1ccccc1)NC1CC1
CCCCNCCSC(c1ccccc1)c1ccccc1
C(CNCCSC(c1ccccc1)c1ccccc1)Cc1ccccc1
Fc1ccc(cc1)C(SCCNCCCc1ccccc1)c1ccc(F)cc1
Brc1ccc(cc1)C(SCCNCCCc1ccccc1)c1ccc(Br)cc1
NCCS(=O)C(c1ccccc1)c1ccccc1
CCCCNCCS(=O)C(c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(c1ccc(F)cc1)S(=O)CCNCCCc1ccccc1
Clc1ccc(cc1)C(c1ccc(Cl)cc1)S(=O)CCNCCCc1ccccc1
Brc1ccc(cc1)C(c1ccc(Br)cc1)S(=O)CCNCCCc1ccccc1
O=S(CCNCCCc1ccccc1)C(c1ccccc1)c1ccccc1
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
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccccc1)N2C |TLB:18:17:6.7:10.9.4|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccccc1 |TLB:0:1:4.3:7.8.6|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(F)cc1 |TLB:0:1:4.3:7.8.6|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(Cl)cc1 |TLB:0:1:4.3:7.8.6|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(Br)cc1 |TLB:0:1:4.3:7.8.6|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1cccc(Br)c1 |TLB:0:1:4.3:7.8.6|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(cc1)[N+]([O-])=O |TLB:0:1:4.3:7.8.6|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1cccc(c1)[N+]([O-])=O |TLB:0:1:4.3:7.8.6|
COc1ccc(cc1)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:28:27:15.16:19.18.13|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(Cl)c(Cl)c1 |TLB:0:1:4.3:7.8.6|
COc1ccc(cc1OC)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:30:29:17.18:21.20.15|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(F)cc1 |TLB:0:1:4.3:7.8.6|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(Cl)cc1 |TLB:0:1:4.3:7.8.6|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1cccc(Br)c1 |TLB:0:1:4.3:7.8.6|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(cc1)[N+]([O-])=O |TLB:0:1:4.3:7.8.6|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1cccc(c1)[N+]([O-])=O |TLB:0:1:4.3:7.8.6|
COc1ccc(cc1)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C |TLB:28:27:15.16:19.18.13|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(Cl)c(Cl)c1 |TLB:0:1:4.3:7.8.6|
COc1ccc(cc1OC)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C |TLB:30:29:17.18:21.20.15|
CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
CN1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CN1CC2C[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CCN1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CCN1CC2C[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CCCN1CC2CC2(C1)c1ccc(Cl)c(Cl)c1
CCCN1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CCCN1CC2C[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CCCCN1CC2CC2(C1)c1ccc(Cl)c(Cl)c1
CCCCN1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CCCCN1CC2C[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CC(C)CN1CC2CC2(C1)c1ccc(Cl)c(Cl)c1
CC(C)N1CC2CC2(C1)c1ccc(Cl)c(Cl)c1
CC(C)N1CC2C[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CC(C)N1CC2C[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Clc1ccc(cc1Cl)C12CC1CN(C2)C1CC1
CC(C)(C)N1CC2CC2(C1)c1ccc(Cl)c(Cl)c1
CN1CC2CC2(C1)c1ccc(F)cc1F
CN1CC2CC2(C1)c1ccc(F)c(F)c1
Fc1ccc(cc1Cl)C12CC1CNC2
CN1CC2CC2(C1)c1ccc(F)c(Cl)c1
CN1CC2CC2(C1)c1ccc(Cl)cc1Cl
CN1CC2CC2(C1)c1ccc(F)c(C)c1
CN1CC2CC2(C1)c1ccc(C)c(F)c1
CN1CC2CC2(C1)c1ccc2ccccc2c1
O=C(CSC(c1ccccc1)c1ccccc1)NCC1CC1
Fc1ccc(cc1)C(SCC(=O)NCC1CC1)c1ccc(F)cc1
Brc1ccc(cc1)C(SCC(=O)NCC1CC1)c1ccc(Br)cc1
Clc1ccc(cc1)C(SCC(=O)NCCCc1ccccc1)c1ccc(Cl)cc1
C(CSC(c1ccccc1)c1ccccc1)NCC1CC1
O=S(CCNCCN1CCN(CCCc2ccccc2)CC1)C(c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(c1ccc(F)cc1)S(=O)CCNCCN1CCN(CCCc2ccccc2)CC1
O=C(CS(=O)C(c1ccccc1)c1ccccc1)N1CCN(CCCc2ccccc2)CC1
[#8]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c2ccccc2)-c2ccccc2)-[#6]-[#6]-1-[#6](-[#8])=O
[#8]-[#6](=O)-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]\[#6]=[#6](\c1ccccc1)-c1ccccc1
[#8]-[#6](=O)-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c2ccccc2)-c2ccccc2)-[#6]-1
COC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CC1CCCN(C1)C(=O)CSC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 |r|
NC(=O)CS(=O)C(c1ccccc1)c1ccccc1
CCC(N)Cc1ccc2NCCc2c1Cl
CC(C)(N)Cc1ccc2NCCc2c1
CCN1CCc2c1ccc(CC(C)N)c2C
CC(N)Cc1cc2CCNc2cc1C
CCC(N)Cc1ccc2NCCc2c1
CC(N)Cc1ccc2NCCc2c1C
CCN1CCc2cc(CC(C)N)c(C)cc12
CC(N)Cc1ccc2NCCc2c1
CC(N)Cc1ccc2NCCc2c1Cl
CC(N)Cc1ccc(cc1C)N(C)C
Cc1cc2CC(CC3CN=CN3)Cc2cc1C |c:9|
FC(F)(F)c1ccc2CCC(CC3CN=CN3)=Cc2c1 |c:14,17|
[H][C@]12Cc3ccccc3C[C@@]1([H])[C@@]2([H])C1CN=CN1 |c:19|
C(C1=NCCN1)C1=Cc2ccccc2CC1 |t:1,7|
C(C1Cc2ccccc2C1)C1CN=CN1 |c:14|
CC1(C)CC(CC2CN=CN2)=Cc2ccccc12 |c:8,11|
[H][C@@]1(CN=CN1)C1CC11Cc2ccccc2C1 |c:3|
C[C@@]1(C[C@@H]2CN=CN2)CCc2ccccc2C1 |c:5|
C(c1c[nH]cn1)C1=Cc2ccccc2CC1 |t:7|
COc1ccc2CCC(CC3CN=CN3)=Cc2c1 |c:12,15|
CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)c(Cl)c2 |r|
NC1=NCC(CC2=Cc3ccccc3CC2)O1 |t:1,6|
[H][C@]1(C[C@@]23CC2c2ccccc2CC3)CN=CN1 |c:18|
Fc1cccc2CC(CC3CN=CN3)Cc12 |c:11|
C(C1CN=CN1)C1CCc2ccccc2C1 |c:3|
Clc1cccc2ccc(CC3CN=CN3)cc12 |c:12|
NC1=NC(CC2=Cc3ccccc3CC2)CO1 |t:1,5|
Cc1ccc2C=C(CC3CN=CN3)CCc2c1 |c:10,t:5|
Clc1cccc2CCC(CC3CN=CN3)Cc12 |c:12|
C(C1CN=CN1)c1cc2ccccc2o1 |c:3|
[H][C@]12CC[C@@]3(CN=CN3)C[C@]1([H])Cc1ccccc1C2 |c:6|
NC1=NC(CC2=Cc3ccccc3CC2)CN1 |t:1,5|
C(C1CN=CN1)C1=Cc2ccccc2CC1 |c:3,t:7|
C(C1CN=CN1)C1COc2ccccc2O1 |c:3|
[H][C@@]12CCc3ccccc3[C@]1([H])[C@@]2([H])[C@]1([H])CN=CN1 |c:20|
Cc1ccc2CCC(CC3CN=C(N)O3)=Cc2c1 |c:15,t:11|
Fc1ccc2CCC(CC3CN=CN3)=Cc2c1 |c:11,14|
C(C1CN=CN1)C1=Cc2ccccc2OC1 |c:3,t:7|
CCC1(Cc2ccccc2C1)c1cnc[nH]1
C1C2(CC11CN=CN1)Cc1ccccc1C2 |c:6|
Fc1ccc2CC(CC3CNC=N3)Cc2c1 |c:11|
Clc1cccc2CCC(CC3CN=CN3)=Cc12 |c:12,15|
Fc1cccc2CCC(CC3CN=CN3)=Cc12 |c:12,15|
COc1cccc2CCC(CC3CN=CN3)=Cc12 |c:13,16|
[H][C@]12CC[C@]3(CN=CN3)C[C@]1([H])Cc1ccccc1C2 |c:6|
[H][C@]1(CN=CN1)C1C[C@@]11CCc2ccccc2C1 |c:3|
C[C@@]1(C[C@H]2CN=CN2)CCc2ccccc2C1 |c:5|
Fc1cc2CC(CC3CN=CN3)Cc2cc1F |c:9|
NC1=NCC(CC2=Cc3c(Cl)cccc3CC2)O1 |t:1,6|
Cc1ccc2C=C(CC3CN=C(N)O3)CCc2c1 |t:5,10|
C(C1CN=CN1)C1=Cc2ccccc2C1 |c:3,t:7|
[H][C@@]1(C[C@@]23CC2c2ccccc2CC3)CN=CN1 |c:18|
CC1(CC2=Cc3ccccc3CC2)CN=CN1 |c:16,t:3|
Fc1ccc2oc(CC3CN=CN3)cc2c1 |c:10|
[H][C@@]1(CN=CN1)C1C[C@@]11CCc2ccccc2C1 |c:3|
CNCC[C@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F
C(C1CNC=N1)C1CCc2ccccc2O1 |c:4|
Cc1cccc2CCC(CC3CN=CN3)=Cc12 |c:12,15|
Cc1ccc2CCC(CC3CN=CN3)=Cc2c1 |c:11,14|
C(C1CN=CN1)c1cc2cc(ccc2o1)-c1ccccc1 |c:3|
[H][C@]1(CN=CN1)C1CC11Cc2ccccc2C1 |c:3|
CNC\C=C(\c1ccc(Br)cc1)c1cccnc1
CN(C)C\C=C(/c1ccc(Br)cc1)c1cccnc1
CN(C)C\C=C(/c1cccnc1)c1ccccc1Br
COc1ccc(cc1)C(=C\CN(C)C)\c1cccnc1
CN(C)C\C=C(\c1ccc(cc1)C(F)(F)F)c1cccnc1
CNC\C=C(/c1cccnc1)c1cccc(Br)c1
CN(C)C\C=C(\c1ccc(C)cc1)c1cccnc1
CN(C)C\C=C(/c1cccnc1)c1cccc(F)c1
CC(N)C(=O)OC(C)(C)Cc1ccc(Cl)cc1
CC(C)Oc1ccc(cc1)C(=C\CN(C)C)\c1ccncc1
CN(C)C\C=C(\c1ccc(F)cc1)c1cccnc1
CN(C)C\C=C(/c1cccnc1)c1cccc(Cl)c1
CN(C)C\C=C(\c1ccc(cc1)N(C)C)c1ccccn1
CN(C)C\C=C(\c1ccc(Br)cc1)c1cccnc1
CSc1ccc(cc1)C(=C\CN(C)C)\c1cccnc1
CNCCCN1c2ccccc2CCc3c1cccc3
CCNC\C=C(\c1ccc(Br)cc1)c1cccnc1
CNC\C=C(/c1cccnc1)c1ccccc1Br
CNC\C=C(\c1ccc(F)cc1)c1cccnc1
CN(C)C\C=C(\c1ccccc1)c1cccnc1
CN(C)CCC(c1ccc(Br)cc1)c1ccccn1
CNC\C=C(/c1cccnc1)c1ccc(Cl)cc1Cl
CN(C)C\C=C(\c1ccc(cc1)C#N)c1cccnc1
CN(C)C\C=C(\c1ccc(Cl)cc1)c1cccnc1
CN(C)C\C=C(\c1ccc(I)cc1)c1cccnc1
CN(C)C\C=C(/c1ccncc1)c1cccc(C)c1
CN(C)CCCN1c2ccccc2CCc3c1cccc3
CN(C)C\C=C(/c1cccnc1)c1cccc(Br)c1
CCCNC\C=C(\c1ccc(Br)cc1)c1cccnc1
CNC\C=C(\c1ccc(Cl)cc1)c1cccnc1
CN(C)C\C=C(/c1ccncc1)c1ccc(Cl)cc1
CN(C)C\C=C(\c1ccc(cc1)[Si](C)(C)C)c1cccnc1
CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl
CN(C)C\C=C(/c1cccnc1)c1ccc(Cl)cc1Cl
[#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
CC(N)Cc1cc(O)c(O)cc1O
CC(N)Cc1cc(O)c(O)cc1N
NCCc1cc(N)c(O)cc1O
NCCc1cc(O)c(O)cc1N
CC(N)Cc1cc(N)c(O)cc1O
CC(N)Cc1cc(O)c(N)cc1O
NCCc1cc(O)c(O)cc1O
NCCc1cc(O)c(N)cc1O
CCC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2 |THB:11:10:21:6.7,2:4:21:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)=C)N2 |THB:2:4:20:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(C=C)cc1)N2 |THB:2:4:19:6.7|
CCC(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C |THB:22:21:4.10.9:6.7,11:10:21:6.7,2:4:21:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)=C)N2C |TLB:21:20:4.10.9:6.7,THB:2:4:20:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)C)N2C |THB:21:20:4.10.9:6.7,2:4:20:6.7,11:10:20:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)C)N2 |THB:2:4:20:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(C=C)cc1)N2C |TLB:20:19:4.10.9:6.7,THB:2:4:19:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2 |THB:2:4:18:6.7|
CCC(CC)c1ccc(cc1)C1CC2CCC(N2)C1C(=O)CC |THB:19:18:17:15.14|
CCC(=O)C1C2CCC(CC1c1ccc(cc1)C1CCCCC1)N2C |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(cc1)C1CCCCC1)N2 |THB:2:4:23:6.7|
CCC(CC)c1ccc(cc1)C1CC2CCC(C1C(=O)CC)N2C |TLB:23:22:17.11.12:15.14,THB:18:17:22:15.14|
Nc1c2CCc3c(Cl)cccc3-c2nc2ccccc12
Nc1c2CCCCCCc2nc2ccccc12
COc1ccc-2c(CCCc3c(N)c4ccccc4nc-23)c1
Nc1c2ccccc2nc2c1cnc1cc(Cl)ccc21
CCCCC1(O)C(C)Cc2c1nc1ccccc1c2N
Nc1c2CCCCCc2nc2ccccc12
Nc1c2CCNc3ccccc3-c2nc2ccccc12
Nc1c2CCc3ccccc3-c2nc2ccccc12
Nc1c2CCCNc3ccccc3-c2nc2ccccc12
Nc1c2CCCc2nc2ccccc12
Nc1c2C3CCC(C3)c2nc2ccccc12
Nc1c2Cc3ccccc3-c2nc2ccccc12
c1ccc2c(c1)c(c3c(n2)CCCC3)N
COc1ccc-2c(CCc3c(N)c4ccccc4nc-23)c1
Nc1c2CCCc3ccccc3-c2nc2ccccc12
CC(N)Cc1cc2OCOc2cc1C
CSc1ccc(CC(C)N)cc1
CC(N)Cc1cc2OCOc2c(C)c1
CC(N)Cc1ccc2OCOc2c1
CC(N)Cc1ccc2CCCc2c1
CC(N)Cc1ccc2OCOc2c1C
CC(N)Cc1ccc(I)cc1
COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
CN1CCC(O)(C(C1)C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1
CN1CCC(O)(C(C1)C(=O)c1ccc(C)cc1)c1ccc(C)cc1
COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccccc1OC)N2C |TLB:26:25:4.10.9:6.7,THB:2:4:25:6.7,11:10:25:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccccc1[N+]([O-])=O)N2C |TLB:27:26:4.10.9:6.7,THB:2:4:26:6.7,11:10:26:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(cc1)C(C)=O)N2C |TLB:27:26:4.10.9:6.7,THB:2:4:26:6.7,11:10:26:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(OC)cc1)N2C |TLB:26:25:4.10.9:6.7,THB:2:4:25:6.7,11:10:25:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccc(c1)C(C)=O)N2C |TLB:27:26:4.10.9:6.7,THB:2:4:26:6.7,11:10:26:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccc(OC)c1)N2C |TLB:26:25:4.10.9:6.7,THB:2:4:25:6.7,11:10:25:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(cc1)[N+]([O-])=O)N2C |TLB:27:26:4.10.9:6.7,THB:2:4:26:6.7,11:10:26:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccc(c1)[N+]([O-])=O)N2C |TLB:27:26:4.10.9:6.7,THB:2:4:26:6.7,11:10:26:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccccc1C(C)=O)N2C |TLB:27:26:4.10.9:6.7,THB:2:4:26:6.7,11:10:26:6.7|
CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)c2cccc(Cl)c2)cc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)c2ccc(cc2)C(F)(F)F)cc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)c2cccc(c2)C(F)(F)F)cc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)c2ccc(C)cc2)cc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)CCc2ccccc2)cc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)C(=O)NCCCCCNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)[C@@H]2CN(C)CC[C@H]2c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)C(=O)NCc1ccc(CNC(=O)\C=C\c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1
CCC(=O)C1C2CCC(CC1c1ccc3c(I)c(OC)ccc3c1)N2C |TLB:25:24:4.10.9:6.7,THB:11:10:24:6.7,2:4:24:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(CC)c3ccccc13)N2C |THB:11:10:23:6.7,2:4:23:6.7|
CCC(=O)C1C2CCC(CC1c1ccc3cc(CC)ccc3c1)N2C |TLB:24:23:4.10.9:6.7,THB:11:10:23:6.7,2:4:23:6.7|
CN1C2CCC1C(C(C2)c1ccc2ccccc2c1)C(C)=O |TLB:9:7:1:4.3,19:6:1:4.3,THB:0:1:6.7.8:4.3|
CC(C)C(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C |TLB:23:22:5.11.10:7.8,THB:3:5:22:7.8,12:11:22:7.8|
CCC(=O)C1C2CCC(CC1c1ccc3c(C(C)=O)c(OC)ccc3c1)N2C |TLB:27:26:4.10.9:6.7,THB:11:10:26:6.7,2:4:26:6.7|
CCC(=O)C1C2CCC(CC1c1ccc3c(C(C)=C)c(OC)ccc3c1)N2C |TLB:27:26:4.10.9:6.7,THB:11:10:26:6.7,2:4:26:6.7|
CN1C2CCC1C(C(C2)c1cccc2ccccc12)C(C)=O |TLB:9:7:1:4.3,19:6:1:4.3,THB:0:1:7.6.8:4.3|
CCC(=O)C1C2CCC(CC1c1ccc3c(CC)c(OC)ccc3c1)N2C |TLB:26:25:4.10.9:6.7,THB:11:10:25:6.7,2:4:25:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(C)c3ccccc13)N2C |THB:11:10:22:6.7,2:4:22:6.7|
CCC(=O)C1C2CCC(CC1c1cccc3ccccc13)N2C |THB:11:10:21:6.7,2:4:21:6.7,22:21:10.4.9:6.7|
CCC(=O)C1C2CCC(CC1c1ccc(C(C)C)c3ccccc13)N2C |THB:11:10:24:6.7,2:4:24:6.7|
CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)OCCCF |TLB:16:6:1:4.3,THB:9:7:1:4.3|
COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2CCCF |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(Br)cc1)N2CCCF |TLB:11:10:18:6.7,THB:2:4:18:6.7|
CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)OCCF |TLB:16:6:1:4.3,THB:9:7:1:4.3|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCF |TLB:11:10:18:6.7,THB:2:4:18:6.7|
FCCCN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)OCCF |TLB:19:9:4:7.6,THB:12:10:4:7.6|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)OCCCF |TLB:16:6:1:4.3,THB:9:7:1:4.3|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2 |THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2CCF |TLB:11:10:18:6.7,THB:2:4:18:6.7|
CN(C)Cc1ccccc1Sc1ccc(\C=C\I)cc1N
CN(C)C(=O)c1ccccc1Sc1ccc(Br)cc1C=O
CN(C)Cc1ccccc1Sc1ccc(I)cc1N
COCc1cc(I)ccc1Sc1ccccc1CN(C)C
CNCc1ccccc1Sc1ccc(I)cc1CO
CN(CCF)Cc1ccccc1Sc1ccc(I)cc1N
CN(C)Cc1ccccc1Sc1ccc(Br)cc1CO
CNCc1ccccc1Sc1ccc(I)cc1N
CN(C)Cc1ccccc1Sc1ccc(F)cc1CO
CN(C)Cc1ccccc1Sc1ccc(Br)cc1N
CN(C)Cc1ccccc1Sc1ccc(C)cc1N
CNCc1ccccc1Sc1ccc(Br)cc1N
CN(C)C(=O)c1ccccc1Sc1ccc(F)cc1C=O
COCc1cc(Br)ccc1Sc1ccccc1CN(C)C
CC(C)OC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:30:29:6.12.11:8.9,13:12:29:8.9,THB:4:6:29:8.9|
CCOC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:29:28:5.11.10:7.8,12:11:28:7.8,THB:3:5:28:7.8|
COC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:28:27:4.10.9:6.7,11:10:27:6.7,THB:2:4:27:6.7|
CN1C2CCC1C(C(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCc1ccccc1 |TLB:0:1:6.7.8:4.3,25:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:9:7:1:3.4|
CN1CCN2C(C1)c1ccccc1Cc1ccccc21
COc1cccc2Cc3ccccc3C3CN(C)CCN3c12
COc1cccc2Cc3ccccc3[C@H]3CN(C)CCN3c12
COc1cccc2Cc3ccccc3[C@@H]3CN(C)CCN3c12
CN1CCN2C(C1)c1ccccc1Cc1cccnc21
c1ccc(cc1)CCCN2CCN(CC2)CCOC(c3ccc(cc3)F)c4ccc(cc4)F
Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(F)cc1
[O-][N+](=O)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Fc1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Brc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
[O-][N+](=O)c1ccc(CN2CCC(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Ic1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Fc1ccc(cc1)C(OCCC1CCN(Cc2ccc(I)cc2)CC1)c1ccc(F)cc1
COC(=O)C1C2CCC(CC1c1cccc(c1)-c1ccco1)N2C |THB:2:4:22:6.7,11:10:22:6.7|
COC(=O)C1C2CCC(CC1c1cccc(I)c1)N2 |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)C1C2CCC(CC1c1cccc(I)c1)N2C |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)C1C2CCC(CC1c1cccc(c1)-c1ccsc1)N2C |THB:2:4:22:6.7,11:10:22:6.7|
COC(=O)C1C2CCC(CC1c1cccc(c1)-c1ccccc1)N2C |THB:2:4:23:6.7,11:10:23:6.7|
CN1C2CCC1C(C(C2)c1ccc(Br)cc1)C(=O)OCCF |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)NCCF |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
FCCCOC(=O)C1C2CCC(CC1c1ccc(Br)cc1)N2 |TLB:14:13:21:9.10,THB:5:7:21:9.10|
FCCCN1C2CCC1C(C(C2)c1ccc(Br)cc1)C(=O)OCCF |TLB:19:9:4:7.6,3:4:9.10.11:7.6,THB:12:10:4:7.6|
COC(=O)C1C2CCC(CC1c1ccc(Br)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7|
CN1C2CCC1C(C(C2)c1ccc(Br)cc1)C(=O)OCCOS(=O)(=O)c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
COC(=O)C1C2CCC(CC1c1ccc(Br)cc1)N2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
CN1C2CCC1C(C(C2)c1ccc(Br)cc1)C(=O)OCCCF |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
FCCOC(=O)C1C2CCC(CC1c1ccc(Br)cc1)N2 |TLB:13:12:20:8.9,THB:4:6:20:8.9|
CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)OCCOS(=O)(=O)c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN(C)C[C@H]1CC2[C@H](O1)c1ccccc1Cc1ccccc21
CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl
CN(C)C[C@@H]1CC2[C@H](O1)c1cc(F)ccc1Oc1ccccc21
CN(C)C[C@H]1CC2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
CN(C)C[C@@H]1CC2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
CN(C)C[C@H]1CC2[C@H](O1)c1cc(F)ccc1Oc1ccccc21
CN(C)C[C@H]1C[C@H]2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
CN(C)C[C@H]1CC2[C@H](O1)c1cc(Cl)ccc1Oc1ccccc21
CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)c4c5ccc(cc5on4)F
CN(C)C[C@H]1CC2[C@H](O1)c1cc(Br)ccc1Oc1ccccc21
CN(C)C[C@@H]1CC2[C@H](O1)c1cc(Cl)ccc1Oc1ccccc21
CN(C)C[C@@H]1CC2[C@H](O1)c1cc(Br)ccc1Oc1ccccc21
COc1cc2OC[C@H]3[C@H](CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC |c:31|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:28|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
COc1cccc2[C@H](CN(C)CCc3ccc4ccoc4c3)CCCc12
COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1cccs1 |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1ccsc1 |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)-c1cccc(F)c1 |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(s1)-c1ccsc1 |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1ccc(F)c(F)c1 |TLB:2:4:13:6.7,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1cc(F)ccc1F |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1ccccc1 |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(s1)-c1ccc(SC)cc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1c(F)cccc1F |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1ccc(C)c(F)c1 |TLB:2:4:13:6.7,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)-c1ccccc1OC |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)-c1cccc(c1)C(F)(F)F |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)-c1ccc(F)cc1 |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)-c1cccc(OC)c1 |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1ccc(F)cc1 |TLB:2:4:13:6.7,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)-c1ccc(SC)cc1 |TLB:2:4:13:6.7,2:4:11.12:8.9,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7|
COC(=O)C1C2CCC3CC1\C(CN23)=C\C#Cc1cccc(F)c1 |TLB:2:4:13:6.7,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)-c1ccccc1F |TLB:2:4:13:6.7,6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:11.12:8.9|
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCN3C4CCC3[C@H]([C@H](C4)c3ccc(Cl)c(Cl)c3)C(=O)OC)c3ccc(cc3oc2c1)=[N+](CC)CC |wU:39.53,40.44,TLB:33:34:37.36:39.40.41,50:39:37.36:34,(9.98,-40.52,;8.63,-39.74,;8.63,-38.19,;9.98,-37.41,;11.32,-38.19,;7.29,-37.41,;7.28,-35.86,;5.93,-35.08,;4.6,-35.87,;3.26,-35.11,;3.25,-33.56,;4.58,-32.77,;4.57,-31.23,;3.23,-30.47,;1.89,-31.25,;1.9,-32.8,;.57,-33.58,;-.76,-34.36,;1.34,-34.91,;-.22,-32.25,;3.22,-28.93,;1.67,-28.94,;4.76,-28.91,;3.21,-27.39,;4.55,-26.62,;5.88,-27.39,;7.21,-26.62,;7.22,-25.08,;8.55,-24.32,;9.89,-25.09,;9.88,-26.63,;11.22,-24.33,;12.55,-25.1,;12.55,-26.64,;13.88,-27.42,;13.91,-29.95,;12.92,-30.66,;13.22,-29.22,;14.52,-28.51,;15.93,-29.14,;16.3,-30.6,;15.29,-29.88,;17.67,-31.02,;18.71,-30.04,;20.08,-30.45,;20.41,-31.86,;21.78,-32.27,;19.36,-32.84,;19.68,-34.23,;17.99,-32.42,;17.26,-28.36,;17.25,-26.82,;18.6,-29.13,;19.93,-28.35,;1.92,-35.88,;.58,-35.11,;-.76,-35.89,;-.75,-37.44,;.59,-38.21,;1.92,-37.43,;3.27,-38.2,;4.6,-37.42,;5.94,-38.19,;-2.1,-38.21,;-3.44,-37.44,;-4.78,-38.21,;-2.09,-39.76,;-3.44,-40.53,)|
CNCCC(Oc1ccccc1OC)c1ccccc1
CNCCCC1(OC(C)(C)c2ccccc12)c1ccccc1
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCc3cccc(c3)C(CCNC)Oc3ccccc3OC)c3ccc(cc3oc2c1)=[N+](CC)CC |(-8.01,9.63,;-8.01,11.17,;-6.68,11.94,;-6.68,13.48,;-8.01,14.25,;-5.34,11.17,;-5.34,9.62,;-4,8.85,;-2.67,9.62,;-1.32,8.85,;-1.32,7.31,;-2.66,6.53,;-2.65,4.99,;-1.32,4.23,;.01,5,;.01,6.54,;1.34,7.31,;2.68,6.54,;2.12,8.64,;.58,8.64,;-1.32,2.69,;-2.87,2.69,;-2.1,1.36,;.01,1.92,;1.34,2.69,;2.68,1.92,;2.68,.38,;4.01,-.39,;4.01,-1.93,;5.34,-2.7,;6.68,-1.93,;5.34,-4.24,;6.68,-5.01,;6.68,-6.55,;8.01,-7.32,;8.01,-8.85,;6.68,-9.62,;5.35,-8.86,;5.34,-7.32,;4.01,-9.63,;2.68,-8.86,;1.35,-9.63,;.01,-8.86,;-1.32,-9.63,;4.01,-11.17,;2.68,-11.94,;1.34,-11.17,;.01,-11.94,;.02,-13.48,;1.35,-14.25,;2.68,-13.48,;4.01,-14.25,;5.35,-13.48,;.01,9.63,;1.35,8.86,;2.68,9.64,;2.67,11.17,;1.34,11.94,;.01,11.17,;-1.33,11.94,;-2.67,11.17,;-4,11.94,;4.01,11.94,;4.01,13.48,;2.67,14.25,;5.34,11.17,;5.34,9.63,)|
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCNCCCC3(OC(C)(C)c4ccccc34)c3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |(-13.51,6.61,;-13.51,8.15,;-12.18,8.92,;-12.18,10.46,;-13.51,11.23,;-10.84,8.15,;-10.84,6.6,;-9.5,5.83,;-8.17,6.61,;-6.82,5.83,;-6.82,4.29,;-8.16,3.52,;-8.15,1.98,;-6.82,1.21,;-5.49,1.98,;-5.49,3.52,;-4.15,4.29,;-2.82,3.52,;-3.38,5.63,;-4.92,5.63,;-6.82,-.33,;-8.37,-.33,;-7.6,-1.66,;-5.49,-1.09,;-5.49,-2.63,;-4.16,-3.4,;-4.16,-4.94,;-2.82,-5.71,;-2.82,-7.25,;-1.49,-8.02,;-1.49,-9.56,;-.16,-7.25,;1.18,-8.02,;2.51,-7.25,;3.84,-8.02,;5.18,-7.25,;6.51,-8.02,;7.85,-7.25,;9.18,-8.02,;9.51,-9.52,;11.05,-9.69,;11.05,-11.23,;12.38,-10.46,;11.67,-8.32,;13.17,-7.85,;13.51,-6.32,;12.36,-5.26,;10.86,-5.73,;10.51,-7.25,;9.18,-6.48,;7.85,-5.71,;7.85,-4.18,;9.18,-3.41,;10.51,-4.17,;10.52,-5.71,;-5.49,6.61,;-4.15,5.84,;-2.82,6.62,;-2.83,8.15,;-4.16,8.92,;-5.49,8.15,;-6.83,8.93,;-8.17,8.15,;-9.5,8.93,;-1.49,8.92,;-1.49,10.46,;-2.83,11.23,;-.16,8.15,;-.16,6.61,)|
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCc3ccc4c(c3)C(C)(C)OC4(CCCNC)c3ccccc3)c3ccc(cc3oc2c1)=[N+](CC)CC |(-13.21,5.78,;-13.21,7.32,;-11.88,8.09,;-11.88,9.63,;-13.21,10.4,;-10.54,7.32,;-10.54,5.77,;-9.2,5,;-7.87,5.77,;-6.52,5,;-6.52,3.46,;-7.86,2.68,;-7.85,1.14,;-6.52,.38,;-5.19,1.15,;-5.19,2.69,;-3.86,3.46,;-2.52,2.69,;-4.62,4.79,;-3.08,4.79,;-6.52,-1.16,;-8.07,-1.16,;-7.3,-2.49,;-5.19,-1.93,;-5.19,-3.47,;-3.86,-4.24,;-3.86,-5.78,;-2.52,-6.55,;-2.52,-8.09,;-1.19,-8.86,;-1.19,-10.4,;.14,-8.09,;1.48,-8.86,;2.81,-8.09,;2.81,-6.55,;4.14,-5.78,;5.48,-6.55,;5.48,-8.09,;4.15,-8.86,;6.93,-8.54,;6.53,-10.03,;8.02,-9.63,;7.84,-7.3,;6.97,-6.09,;8.06,-4.99,;9.55,-5.39,;10.64,-4.3,;12.12,-4.7,;13.21,-3.61,;6.57,-4.6,;5.08,-4.2,;4.69,-2.72,;5.77,-1.63,;7.26,-2.02,;7.66,-3.5,;-5.19,5.78,;-3.85,5.01,;-2.52,5.79,;-2.53,7.32,;-3.86,8.09,;-5.19,7.32,;-6.53,8.09,;-7.87,7.32,;-9.2,8.09,;-1.19,8.09,;-1.19,9.63,;-2.53,10.4,;.14,7.32,;.14,5.78,)|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccoc1)N2C |TLB:23:22:6.7:4.10.9,THB:2:4:6.7:22,11:10:6.7:22|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccncc1)N2C |TLB:24:23:6.7:4.10.9,THB:2:4:6.7:23,11:10:6.7:23|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cncc(OC)c1)N2C |TLB:26:25:6.7:4.10.9,THB:2:4:6.7:25,11:10:6.7:25|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1nccs1)N2 |THB:2:4:6.7:22,11:10:6.7:22|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cnccn1)N2C |TLB:24:23:6.7:4.10.9,THB:2:4:6.7:23,11:10:6.7:23|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccc(c1)N(C)C)N2C |TLB:27:26:6.7:4.10.9,THB:2:4:6.7:26,11:10:6.7:26|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cncnc1)N2C |TLB:24:23:6.7:4.10.9,THB:2:4:6.7:23,11:10:6.7:23|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1nccs1)N2C |TLB:23:22:6.7:4.10.9,THB:2:4:6.7:22,11:10:6.7:22|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccc(F)c1)N2C |TLB:25:24:6.7:4.10.9,THB:2:4:6.7:24,11:10:6.7:24|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccnc1)N2C |TLB:24:23:6.7:4.10.9,THB:2:4:6.7:23,11:10:6.7:23|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccccn1)N2C |TLB:24:23:6.7:4.10.9,THB:2:4:6.7:23,11:10:6.7:23|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cncc(OC)c1)N2 |THB:2:4:6.7:25,11:10:6.7:25|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cc(F)cc(F)c1)N2C |TLB:26:25:6.7:4.10.9,THB:2:4:6.7:25,11:10:6.7:25|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccco1)N2C |TLB:23:22:6.7:4.10.9,THB:2:4:6.7:22,11:10:6.7:22|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccco1)N2 |THB:2:4:6.7:22,11:10:6.7:22|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cnc3ccccc3c1)N2C |TLB:28:27:6.7:4.10.9,THB:2:4:6.7:27,11:10:6.7:27|
CNC(=O)CSC[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
CNC(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN(C)C(=O)CSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](CSCC(N)=O)C1)c1ccc(Cl)cc1
CN1CC[C@H]([C@H](CSCCOC(C)=O)C1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](CSCC(=O)N2CCCCC2)C1)c1ccc(Cl)cc1
CN1CC[C@H]([C@H](CSCC(=O)NCc2ccccc2)C1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](CSCCOC(C)=O)C1)c1ccc(Cl)cc1
CNC(=O)CSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](CSCCO)C1)c1ccc(Cl)cc1
CC(C)NC(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
COC(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](CSCC(=O)NCc2ccccc2)C1)c1ccc(Cl)cc1
COC(=O)[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](CSCCOC(C)=O)C1)c1ccc(Cl)cc1
CN1CC[C@H]([C@H](CSCCO)C1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](CSCC(=O)Nc2cccc3ccccc23)C1)c1ccc(Cl)cc1
CN1CC[C@H]([C@H](CSCCOC(=O)c2ccccc2)C1)c1ccc(Cl)cc1
CC(C)NC(=O)CSC[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
CC(C)NC(=O)CSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](CSCC(=O)Nc2ccccc2)C1)c1ccc(Cl)cc1
CN1CC[C@H]([C@H](CSCC(N)=O)C1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](CSCC(=O)NCc2ccccc2)C1)c1ccc(Cl)cc1
CN(C)C(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](CSCCOC(=O)c2ccccc2)C1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](CSCC(=O)NCCc2ccccc2)C1)c1ccc(Cl)cc1
COC(=O)CSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
CN(C)C(=O)CSC[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
CN1CC[C@H]([C@H](CSCC(=O)N2CCCCC2)C1)c1ccc(Cl)cc1
COC(=O)CSC[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](CSCC(=O)N2CCCCC2)C1)c1ccc(Cl)cc1
CN1CC[C@H]([C@H](CSCC(=O)NCCc2ccccc2)C1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](CSCCO)C1)c1ccc(Cl)cc1
O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2[nH]ccc2c1)C(c1ccccc1)c1ccccc1
Nc1ccc(CN[C@@H]2CC[C@@H](OC2)C(c2ccccc2)c2ccccc2)cc1
C(N[C@@H]1CC[C@@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc2[nH]ccc2c1
[O-][N+](=O)c1ccc(CN[C@@H]2CC[C@@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Oc1ccc(CN[C@@H]2CC[C@@H](OC2)C(c2ccccc2)c2ccccc2)cc1
COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cc1
Nc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1
C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc2[nH]ccc2c1
O[C@H]1C[C@@H](OC[C@@H]1NCc1ccc2[nH]ccc2c1)C(c1ccccc1)c1ccccc1
O[C@@H]1C[C@H](OC[C@H]1NCc1ccccc1)C(c1ccccc1)c1ccccc1
Oc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1
O[C@H]1C[C@@H](OC[C@@H]1NCc1ccc(O)cc1)C(c1ccccc1)c1ccccc1
[O-][N+](=O)c1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1
O[C@@H]1C[C@H](OC[C@H]1NCc1ccc(O)cc1)C(c1ccccc1)c1ccccc1
COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(cc1)-c1ccsc1
COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(cc1)-c1ccco1
COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(cc1)-c1nccs1
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c3ccc(cc3)I)C(=O)OC
COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(C=O)cc1
COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(cc1)-c1cccs1
COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(\C=C/I)cc1
FC(F)(F)c1ccccc1OC(C1CNCCO1)c1cccc(I)c1 |w:12.13,11.11|
[O-][N+](=O)c1ccccc1COC(C1CNCCO1)c1cccc(I)c1 |w:12.13,11.11|
COc1ccccc1OC(C1CNCCO1)c1cccc(I)c1 |w:10.11,9.9|
Cc1ccccc1OC(C1CNCCO1)c1ccc(I)s1 |w:9.15,8.8|
COc1ccccc1COC(C1CNCCO1)c1cccc(I)c1 |w:11.17,10.10|
COc1ccccc1OC(C1CNCCO1)c1ccc(I)s1 |w:10.16,9.9|
CCOc1ccccc1OC(C1CNCCO1)c1cccc(I)c1 |w:11.12,10.10|
Ic1ccccc1OC(C1CNCCO1)c1ccccc1 |w:9.10,8.8|
Ic1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1
Cc1ccccc1OC(C1CNCCO1)c1cccc(I)c1 |w:9.10,8.8|
Cc1noc2c(nn(CCCN3CCN(CC3)c3cccc(Cl)c3)c(=O)c12)-c1ccccc1
CC(C)N1CCN(CC1)C(CN1CCN(CCCc2c(Cl)cccc2-c2ccccc2)CC1)c1ccc(F)cc1 |w:9.10|
CC(C)N1CCN(CC1)C(CN1CCN(CCCc2ccccc2-c2ccccc2)CC1)c1ccc(F)cc1 |w:9.10|
CC(C)N1CCN(CC1)C(CN1CCN(CCCc2ccccc2-c2ccc(F)cc2)CC1)c1ccc(F)cc1 |w:9.10|
CC(C)N1CCN(CC1)C(CN1CCN(CCCc2c(C)cccc2-c2ccccc2)CC1)c1ccc(F)cc1 |w:9.10|
CC(C)N1CCN(CC1)C(CN1CCN(CCCc2ccc(F)cc2-c2ccccc2)CC1)c1ccc(F)cc1 |w:9.10|
CC(C)N1CCN(CC1)C(CN1CCN(CCCc2cc(F)ccc2-c2ccccc2)CC1)c1ccc(F)cc1 |w:9.10|
CC(C)N1CCN(CC1)C(CN1CCN(CCCc2c(F)cccc2-c2ccccc2)CC1)c1ccc(F)cc1 |w:9.10|
CC(C)N1CCN(CC1)C(CN1CCN(CCCc2cccc(F)c2-c2ccccc2)CC1)c1ccc(F)cc1 |w:9.10|
CC(C)N1CCN(CC1)C(CN1CCN(CCCc2ccccc2-c2cccc(F)c2)CC1)c1ccc(F)cc1 |w:9.10|
CCN(CC)C(=O)[C@]1(C[C@H]1C[NH3+])c1ccsc1
CCN(CC)C(=O)[C@]1(C[C@H]1C[NH3+])c1ccc(OC)cc1
CCN(CC)C(=O)[C@]1(C[C@H]1C[NH3+])c1cccc(Cl)c1
CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1ccc(F)cc1
CCN(CC)C(=O)[C@]1(C[C@H]1C[NH3+])c1ccc(F)cc1
CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1ccc(OC)cc1
CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1cccs1
CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1ccc2ccccc2c1
CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1ccc(Cl)c(Cl)c1
CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1ccc(Cl)cc1
CCN(CC)C(=O)[C@]1(C[C@H]1C[NH3+])c1ccc(Cl)cc1
CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1ccsc1
CCN(CC)C(=O)[C@]1(C[C@H]1C[NH3+])c1ccc(Cl)c(Cl)c1
CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1cccc2ccccc12
CCN(CC)C(=O)[C@]1(C[C@H]1C[NH3+])c1cccc2ccccc12
CCN(CC)C(=O)[C@@]1(C[C@@H]1C[NH3+])c1cccc(Cl)c1
CCN(CC)C(=O)[C@]1(C[C@H]1C[NH3+])c1ccc2ccccc2c1
CN(C)Cc1cc(Cl)ccc1Oc1ccc(F)cc1N
CN(C)Cc1cc(F)ccc1Oc1ccc(cc1N)C#N
CN(C)Cc1cc(F)ccc1Sc1ccc(cc1N)C#N
CN(C)Cc1cc(F)ccc1Sc1ccc(Cl)cc1N
CN(C)Cc1cc(F)ccc1Oc1ccc(C)cc1N
CN(C)Cc1ccccc1Oc1ccc(F)cc1N
CN(C)Cc1cc(F)ccc1Sc1ccc(C)cc1N
COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
CN(C)CC(c1cccc(c1)C(F)(F)F)C1(O)CCCCC1
CN(C)CC(c1ccccc1Cl)C1(O)CCCCC1
CN(C)CC(c1cccc(Cl)c1)C1(O)CCCCC1
CN(C)CC(c1ccc(Cl)cc1)C1(O)CCCCC1
COc1cccc(c1)C(CN(C)C)C1(O)CCCCC1
Fc1ccc(cc1)C(=O)CCCN1CCCN(CC1)c1ccc(Cl)cc1
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F
OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|
c1ccc2c(c1)c(ns2)N3CCN(CC3)CCc4cc5c(cc4Cl)NC(=O)C5
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2CCCN1C(=O)c2ccccc2C1=O |r,THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCCCCCCN1C(=O)c2ccccc2C1=O |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCCCN1C(=O)c2ccccc2C1=O |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCCN1C(=O)c2ccccc2C1=O |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCN1C(=O)c2ccccc2C1=O |THB:2:4:18:6.7,11:10:18:6.7|
FC(F)(F)c1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r|
Ic1ccccc1O[C@H]([C@H]1CNCCO1)c1ccccc1 |r|
Ic1cccc(O[C@H]([C@H]2CNCCO2)c2ccccc2)c1 |r|
Ic1ccc(O[C@H]([C@H]2CNCCO2)c2ccccc2)cc1 |r|
CCOc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccc(I)cc1 |r|
CCOc1ccccc1O[C@H]([C@H]1CNCCO1)c1ccc(I)cc1 |r|
CCOC[C@@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1 |r|
COc1ccc2cc(ccc2c1Cl)[C@@H](O)[C@H](C)N1CCN(Cc2ccccc2)CC1 |r|
COc1ccc2cc(ccc2c1Cl)[C@H](O)[C@H](C)N1CCN(Cc2ccccc2)CC1 |r|
COc1ccc2cc(ccc2c1Cl)[C@H](O)[C@@H](C)N1CCN(Cc2ccccc2)CC1 |r|
COc1ccc2cc(ccc2c1Cl)[C@@H](O)[C@@H](C)N1CCN(Cc2ccccc2)CC1 |r|
CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(Br)ccc12)c1ccc(F)cc1
CN(C)CCCC1(OCc2c1cccc2Br)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(ccc12)-c1ccccc1)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(ccc12)-c1cccc(N)c1)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(\C=C\c3ccccc3)ccc12)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(ccc12)-c1cccc(c1)C#N)c1ccc(F)cc1
COc1cccc(c1)-c1ccc2c(COC2(CCCN(C)C)c2ccc(F)cc2)c1
CN(C)CCCC1(OCc2cc(ccc12)-c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(ccc12)-c1cc(F)cc(F)c1)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(CCc3ccccc3)ccc12)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(ccc12)-c1cccc(F)c1)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(ccc12)-c1cccc(Cl)c1)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(\C=C\c3ccc(Cl)cc3)ccc12)c1ccc(F)cc1
CN(C)CCCC1(OCc2c1cccc2-c1ccccc1)c1ccc(F)cc1
CN(C)CCCC1(OCc2c1cccc2\C=C\c1ccccc1)c1ccc(F)cc1
CN(C)CCCC1(OCc2c1cccc2-c1cccc(F)c1)c1ccc(F)cc1
CN(C)CCCC1(OCc2cc(I)ccc12)c1ccc(F)cc1
CN(C)CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F
CN(C)CCC[C@@]1(OCc2cc(\C=C\c3ccc(cc3)C#N)ccc12)c1ccc(F)cc1 |r|
CN(C)CCC[C@]1(OCc2cc(Br)ccc12)c1ccc(F)cc1 |r|
CN(C)CCC[C@@]1(OCc2cc(Br)ccc12)c1ccc(F)cc1 |r|
CN(C)CCC[C@]1(OCc2cc(\C=C\c3ccccc3)ccc12)c1ccc(F)cc1 |r|
CN(C)CCC[C@@]1(OCc2cc(\C=C\c3ccccc3)ccc12)c1ccc(F)cc1 |r|
CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3
CNCCC(Oc1cccc2cc(OCCN3CCCC3)ccc12)c1ccccc1
CNCCC(c1ccccc1)c1ccc(O)c2ccc(OCCN3CCCC3)cc12
CNCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
CNCCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
CNCCC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
CNCCCC(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
CN1CCC(CC1)(C(=O)OCc1ccc2ccccc2c1)c1ccc(Cl)c(Cl)c1
c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F
CCOC(=O)C1(CCN(C)CC1)c1ccc(Cl)c(Cl)c1
CCOC(=O)C1(CCN(C)CC1)c1ccc(I)cc1
CCOC(=O)C1(CCN(C)CC1)c1ccc2ccccc2c1
CN1CCC(CC1)(C(=O)OCc1ccccc1)c1ccc(Cl)c(Cl)c1
COc1ccc(COC(=O)C2(CCN(C)CC2)c2ccc(Cl)c(Cl)c2)cc1
CN1CCC(CC1)(C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccc(Cl)c(Cl)c1
CN1CCC(CC1)(C(=O)OCc1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1
COc1ccc(COC(=O)C2(CCNCC2)c2ccc(Cl)c(Cl)c2)cc1
[O-][N+](=O)c1ccc(COC(=O)C2(CCNCC2)c2ccc(Cl)c(Cl)c2)cc1
Clc1ccc(COC(=O)C2(CCNCC2)c2ccc(Cl)c(Cl)c2)cc1Cl
FC(F)(F)c1ccc(COC(=O)C2(CCNCC2)c2ccc(Cl)c(Cl)c2)cc1
COc1ccc(COC(=O)C2(CCNCC2)c2ccc(I)cc2)cc1
[O-][N+](=O)c1ccc(COC(=O)C2(CCNCC2)c2ccc(I)cc2)cc1
Clc1ccc(COC(=O)C2(CCNCC2)c2ccc(I)cc2)cc1Cl
COc1ccc(COC(=O)C2(CCNCC2)c2ccc3ccccc3c2)cc1
[O-][N+](=O)c1ccc(COC(=O)C2(CCNCC2)c2ccc3ccccc3c2)cc1
Clc1ccc(COC(=O)C2(CCNCC2)c2ccc3ccccc3c2)cc1Cl
CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
C(OC(c1ccccc1)c1ccccc1)\C=C1\C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 |r,THB:24:23:17.16.22:20.19|
CCN1[C@H]2CC[C@@H]1C\C(C2)=C/COC(c1ccc(F)cc1)c1ccc(F)cc1 |r,THB:1:2:9.8.7:5.4|
CCCN1[C@H]2CC[C@@H]1C\C(C2)=C/COC(c1ccc(F)cc1)c1ccc(F)cc1 |r,THB:2:3:10.9.8:6.5|
Fc1ccc(cc1)C(OC\C=C1\C[C@@H]2CC[C@H](C1)N2CC=C)c1ccc(F)cc1 |r,THB:19:18:12.11.17:15.14|
Fc1ccc(cc1)C(OC\C=C1\C[C@@H]2CC[C@H](C1)N2CC1CC1)c1ccc(F)cc1 |r,THB:19:18:12.11.17:15.14|
Fc1ccc(CN2[C@H]3CC[C@@H]2C\C(C3)=C/COC(c2ccccc2)c2ccccc2)cc1 |r,THB:5:6:13.12.11:9.8|
Fc1ccc(CN2[C@H]3CC[C@@H]2C\C(C3)=C/COC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |r,THB:5:6:13.12.11:9.8|
Clc1ccc(CN2[C@H]3CC[C@@H]2C\C(C3)=C/COC(c2ccccc2)c2ccccc2)cc1 |r,THB:5:6:13.12.11:9.8|
Fc1ccc(cc1)C(OC\C=C1\C[C@@H]2CC[C@H](C1)N2Cc1ccc(Cl)cc1)c1ccc(F)cc1 |r,THB:19:18:12.11.17:15.14|
Cc1ccc(CN2[C@H]3CC[C@@H]2C\C(C3)=C/COC(c2ccccc2)c2ccccc2)cc1 |r,THB:5:6:13.12.11:9.8|
Cc1ccc(CN2[C@H]3CC[C@@H]2C\C(C3)=C/COC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |r,THB:5:6:13.12.11:9.8|
NC(=O)CS(=O)Cc1ccccc1-c1ccc(Cl)cc1
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)N2C |@@:20|
I\C=C/CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
C(CNCCNCCOC(c1ccccc1)c1ccccc1)Cc1ccccc1
Fc1ccc(cc1)C(OCCNCCNCCCc1ccccc1)c1ccc(F)cc1
I\C=C\CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
C(CNCCCc1ccccc1)CNCCOC(c1ccccc1)c1ccccc1
CN(CCCc1ccccc1)CCN(C)CCOC(c1ccc(F)cc1)c1ccc(F)cc1
[H][C@@]12CC[C@@]([H])(C(C(C1)c1ccccc1)c1ccccc1)N2C |THB:9:7:21:3.2,15:6:21:3.2|
[H][C@@]12CC[C@@]([H])([C@H]([C@@H](C1)c1ccccc1)c1ccccc1)N2C |THB:9:7:21:3.2,15:6:21:3.2|
CN1[C@@H]2CCC1C(C(C2)c1ccc(C)cc1)c1ccccc1 |TLB:9:7:1:4.3,16:6:1:4.3|
COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C |r,TLB:11:10:17:6.7,THB:2:4:17:6.7|
COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7|
NC[C@H]([C@@H](O)c1ccccc1)c1ccccc1
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
CN(C)C[C@H]([C@@H](O)c1ccccc1)c1ccccc1
c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F
Cc1cc(C)c([C@H](O)[C@@H](CN)c2ccccc2)c(C)c1
NC[C@H]([C@@H](O)c1ccccc1)c1ccc2ccccc2c1
CC(C)(C)[C@H](O)[C@@H](CN)c1ccccc1
CN(C)C[C@H]([C@@H](O)c1c(C)cc(C)cc1C)c1ccccc1
CCOc1ccccc1OCC1CNCCO1
CN(C)C[C@H]([C@@H](O)C(C)(C)C)c1ccccc1
CN(C)C[C@H]([C@@H](O)c1ccccc1)c1ccc2ccccc2c1
Cc1ccccc1O[C@H](CCNC)c2ccccc2
COc1ccc(cc1)[C@H](CN)[C@@H](O)C1CCCCC1
CN(C)C[C@H]([C@@H](O)C(C)(C)C)c1ccc2ccccc2c1
COc1ccc(cc1)[C@H](CN(C)C)[C@@H](O)C1CCCCC1
CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
CC(C)(C)[C@H](O)[C@@H](CN)c1ccc2ccccc2c1
CCCC1C2[C@H](F)CC(CC1c1ccc(F)cc1)N2C |THB:11:10:18:5.7,6:5:18:3.10.9,2:3:18:5.7|
CCCC1C2[C@@H](F)CC(CC1c1ccc(F)cc1)N2C |THB:11:10:18:5.7,6:5:18:3.10.9,2:3:18:5.7|
CCCC1C2N(C)C(CC2(F)F)CC1c1ccc(F)cc1 |TLB:14:13:5:9.8,2:3:5:9.8|
CO\N=C1/CN2CC1[C@H](CC2)c1ccc(Cl)cc1
CO\N=C1/CN2CC1[C@@H](CC2)c1ccc(Cl)cc1 |TLB:11:8:6:3.4|
COC(=O)C1CN(C)CCC1c1ccc(Cl)cc1
CO\N=C1\CN2CC1[C@H](CC2)c1ccc(Cl)cc1 |THB:11:8:6:3.4|
CO\N=C1\CN2CC1[C@@H](CC2)c1ccc(Cl)cc1
CN1CCC(C(C1)C(=O)OCCC(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1
CN1CCC(C(C1)C(=O)OCCCCCc1ccccc1)c1ccc(Cl)cc1
CC(C)(C)O\N=C1/CN2CC1[C@@H](CC2)c1ccc(Cl)cc1 |TLB:14:11:9:6.7,THB:5:6:9:11.12.13|
Clc1ccc(cc1)[C@@H]1CCN2CC1\C(C2)=N\OCc1ccccc1 |TLB:15:13:11:7.8.9,THB:4:7:11:13.14|
CN1CCC(C(C1)C(=O)OCCCc1ccccc1)c1ccc(Cl)cc1
Clc1ccc(cc1)[C@@H]1CCN2CC1\C(C2)=N\OCCCc1ccccc1 |TLB:15:13:11:7.8.9,THB:4:7:11:13.14|
COC(=O)C1C2CCC(CC1c1ccc(F)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7|
[H][C@@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(F)cc1)C(=O)OC)N2C |r,TLB:9:7:20:3.2,21:20:6.7.8:3.2,THB:16:6:20:3.2|
COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7|
CN1CC[C@@H]([C@H](C1)c1nc(no1)-c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)c1nc(C)no1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)c1nc(no1)-c1ccc(Br)cc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)c1nc(no1)-c1ccc2OCOc2c1)c1ccc(Cl)cc1
COc1ccc(cc1)-c1noc(n1)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CC(C)c1noc(n1)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)c1nc(C)no1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)c1nc(no1)-c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)c1nc(no1)-c1ccccc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)c1nc(no1)-c1ccccc1)c1ccc(Cl)cc1
COC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)c1nc(no1)-c1ccc(Br)cc1)c1ccc(Cl)cc1
COc1ccc(cc1)-c1noc(n1)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)c1nc(no1)-c1ccc2OCOc2c1)c1ccc(Cl)cc1
CC(C)c1noc(n1)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
Fc1ccc(CNC2CCC(NC2)C(c2ccccc2)c2ccccc2)cc1
Fc1ccc(cc1)C(=O)NC1CCC(NC1)C(c1ccccc1)c1ccccc1
Fc1ccc(CN2CCC(CNCC(c3ccccc3)c3ccccc3)CC2)cc1
C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1
C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCCc1ccccc1
C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 |r|
C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1
C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1
C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1CCCc1ccccc1
C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1CCc1ccc(Cl)c(Cl)c1
CN1C[C@H]([C@@H](C1)c1ccccc1)C(=O)c1ccccc1
CN1C[C@H]([C@@H](C1)c1ccccc1)C(=O)c1ccccn1
CN1C[C@H]([C@@H](C1)c1ccccc1)C(=O)c1ccc(Cl)cc1
CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)c1ccccc1Cl
O=C([C@@H]1CN(C[C@H]1c1ccccc1)c1ccccc1)c1ccccn1
CN1C[C@H]([C@@H](C1)c1ccc(F)cc1)C(=O)c1ccc(F)cc1
CN1C[C@H]([C@@H](C1)c1ccc(Cl)cc1)C(=O)c1cccs1
O=C([C@@H]1CN(C[C@H]1c1ccccc1)c1ccccc1)c1cccs1
Cc1cc(ccc1Cl)-n1c(csc1=N)-c1c(F)cccc1F |(15.02,-4.47,;13.57,-5.03,;13.35,-6.56,;11.91,-7.12,;10.71,-6.17,;10.94,-4.64,;12.36,-4.08,;12.58,-2.54,;11.68,-8.64,;10.26,-9.21,;10.35,-10.73,;11.82,-11.12,;12.66,-9.82,;14.19,-9.74,;8.93,-8.44,;7.6,-9.21,;7.6,-10.74,;6.26,-8.44,;6.26,-6.91,;7.6,-6.14,;8.93,-6.91,;10.26,-6.12,)|
FC(F)(F)c1cccc(c1)-n1c(csc1=N)-c1ccc(Br)cc1
Clc1ccc(cc1)-c1csc(=N)n1-c1ccc(Cl)cc1Cl |(5.05,-7.71,;6.38,-8.47,;6.38,-10.02,;7.7,-10.78,;9.04,-10.02,;9.04,-8.47,;7.7,-7.69,;10.38,-10.78,;10.38,-12.32,;11.69,-13.08,;13.02,-12.32,;14.35,-13.09,;13.02,-10.78,;14.11,-9.69,;14.11,-8.15,;15.44,-7.39,;16.77,-8.15,;18.09,-7.36,;16.78,-9.69,;15.44,-10.46,;15.84,-11.95,)|
FC(F)(F)c1cccc(c1)-n1c(csc1=N)-c1ccc(Cl)cc1
Clc1ccc(cc1)-c1csc(=N)n1-c1ccccc1N1CCOCC1 |(5.06,-7.73,;6.39,-8.49,;7.72,-7.71,;9.06,-8.49,;9.06,-10.04,;7.72,-10.81,;6.39,-10.04,;10.41,-10.81,;10.41,-12.35,;11.72,-13.11,;13.05,-12.35,;14.38,-13.12,;13.05,-10.81,;14.15,-9.71,;15.48,-10.48,;16.82,-9.71,;16.81,-8.17,;15.48,-7.4,;14.15,-8.17,;12.82,-7.4,;12.82,-5.86,;11.5,-5.09,;10.16,-5.86,;10.16,-7.4,;11.49,-8.17,)|
Fc1ccccc1-n1c(csc1=N)-c1ccc(Cl)cc1 |(15.84,-11.95,;15.44,-10.46,;16.78,-9.69,;16.77,-8.15,;15.44,-7.39,;14.11,-8.15,;14.11,-9.69,;13.02,-10.78,;10.38,-10.78,;10.38,-12.32,;11.69,-13.08,;13.02,-12.32,;14.35,-13.09,;9.04,-10.02,;7.7,-10.78,;6.38,-10.02,;6.38,-8.47,;5.05,-7.71,;7.7,-7.69,;9.04,-8.47,)|
Cc1ccc(cc1)-c1csc(=N)n1-c1ccc(Cl)cc1
Cc1cc(ccc1Cl)-c1csc(=N)n1-c1ccc(Cl)cc1
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cccs1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(C)s1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
CC(C)OC(=O)C1C2CCC3CC1\C(CN23)=C\c1cccs1 |TLB:4:6:15:8.9,4:6:13.14:10.11,8:7:13.14:10.11,THB:13:12:15:8.9,14:15:6.12.11:8.9|
CC(C)(C)C(=O)OCC1C2CCC3CC1\C(CN23)=C\c1cccs1 |TLB:7:8:15.16:12.13,10:9:15.16:12.13|
CC(C)(C)OC(=O)NCC1C2CCC3CC1\C(CN23)=C\c1cccs1 |TLB:8:9:16.17:13.14,11:10:16.17:13.14|
CC(=O)NCC1C2CCC3CC1\C(CN23)=C\c1cccs1 |TLB:4:5:12.13:9.10,7:6:12.13:9.10|
CC(=O)OCC1C2CCC3CC1\C(CN23)=C\c1cccs1 |TLB:7:6:12.13:9.10,THB:4:5:12.13:9.10|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(I)s1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
O=C(OCC1C2CCC3CC1\C(CN23)=C\c1cccs1)c1ccccc1 |TLB:3:4:11.12:8.9,6:5:11.12:8.9|
O=C(OCC1C2CCC3CC1\C(CN23)=C\c1cccs1)c1ccc2ccccc2c1 |TLB:3:4:11.12:8.9,6:5:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(OC)s1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
CCCCc1ccc(\C=C2/CN3C4CCC3C(C2C4)C(=O)OC)s1 |TLB:9:17:11:14.13,19:16:11:14.13,19:16:9.10:12.18,THB:10:11:16.17.18:14.13,14:15:9.10:12.18|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(s1)-c1cccs1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
CCCc1ccc(\C=C2/CN3C4CCC3C(C2C4)C(=O)OC)s1 |TLB:8:16:10:13.12,18:15:10:13.12,18:15:8.9:11.17,THB:9:10:15.16.17:13.12,13:14:8.9:11.17|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Br)s1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cccnc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(s1)-c1ccccc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccccn1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(s1)-c1ccc(OC)cc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cc(C)c(Br)s1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(s1)-c1ccc(Cl)s1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Cl)nc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cnccn1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cnc(OC)nc1OC |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
CCc1ccc(\C=C2/CN3C4CCC3C(C2C4)C(=O)OC)s1 |TLB:7:15:9:12.11,17:14:9:12.11,17:14:7.8:10.16,THB:8:9:14.15.16:12.11,12:13:7.8:10.16|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Cl)s1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cccc(OC)n1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1nccs1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccsc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
Fc1ccc(CNC2CCC(OC2)C(c2ccccc2)c2ccccc2)cc1
N#Cc1ccc(CNC2CCC(OC2)C(c2ccccc2)c2ccccc2)cc1
COc1ccc(CNC2CCC(OC2)C(c2ccccc2)c2ccccc2)cc1
[O-][N+](=O)c1ccc(CNC2CCC(OC2)C(c2ccccc2)c2ccccc2)cc1
CN1C2C[C@@H](C1C[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCc1ccccc1 |TLB:25:4:1:6.8.7,THB:9:7:1:4.3|
CC(C)OC(=O)[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:15:10:13:6.7,THB:4:6:13:11.9.10|
CCOC(=O)[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:14:9:12:5.6,THB:3:5:12:10.8.9|
COS(=O)(=O)[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:14:9:12:5.6,THB:2:5:12:10.8.9|
CN1C2C[C@@H](C1C[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCCc1ccccc1 |TLB:25:4:1:6.8.7,THB:9:7:1:4.3|
CN1C2C[C@@H](C1C[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Oc1ccccc1 |TLB:25:4:1:6.8.7,THB:9:7:1:4.3|
CC(C)COC(=O)[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:16:11:14:7.8,THB:5:7:14:12.10.11|
Fc1ccc(cc1)C(O[C@H]1CC2C[C@@H](C(C1)N2)C(=O)Oc1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:13.12,THB:17:13:16:15.9.10|
COC(=O)[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:13:8:11:4.5,THB:2:4:11:9.7.8|
CN1C2C[C@@H](C1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(O)=O |TLB:25:4:1:6.8.7,THB:9:7:1:4.3|
CN1C2C[C@@H](O)C1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:5:4:1:7.9.8,THB:10:8:1:3.4|
CN1C2C[C@H](O)C1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:5:4:1:7.9.8,THB:10:8:1:3.4|
CNC1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
CNC1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
CCN(CC)C1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
CN[C@@H]1C[C@H](c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
CN[C@H]1C[C@@H](c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
CN[C@@H]1C[C@H](c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
CN[C@H]1C[C@@H](c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
CCN(CC)C1CC(c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
CNC1CC(c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
Clc1ccc2[nH]cc(CCC3CCNCC3)c2c1
Oc1ccc2c(CCC3CCNCC3)c[nH]c2c1
C(Cc1c([nH]c2ccccc12)-c1ccccc1)C1CCNCC1
C(Cc1c[nH]c2ccccc12)C1CCNCC1
Fc1ccc2[nH]cc(CC3CCNCC3)c2c1
Brc1ccc2[nH]cc(CC3CCNCC3)c2c1
CN1CCC(CCc2cn(C)c3ccccc23)CC1
C(C1CCNCC1)c1c[nH]c2ccccc12
Cc1[nH]c2ccccc2c1CCC1CCNCC1
CN1CCC(CCc2c[nH]c3ccccc23)CC1
Clc1ccc2[nH]cc(CC3CCNCC3)c2c1
C(Cc1cn(-c2ccccc2)c2ccccc12)C1CCNCC1
C(Cc1cn(Cc2ccccc2)c2ccccc12)C1CCNCC1
COc1ccc2[nH]cc(CC3CCNCC3)c2c1
C(CC1CCNCC1)Cc1c[nH]c2ccccc12
Oc1ccc2[nH]cc(CCC3CCNCC3)c2c1
COc1ccc2[nH]cc(CCC3CCNCC3)c2c1
Cn1cc(CCC2CCNCC2)c2ccccc12
OCCCN1CCN(CC1)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
OCCN1CCN(CC1)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
CN1CCN(CC1)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
CN1Cc2c(cccc2N)[C@@H](C1)c3ccccc3
CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 |wU:11.13,4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(4.42,-5.07,;3.76,-3.67,;2.22,-3.53,;4.65,-2.41,;4,-1.01,;5.68,-.26,;5.79,1.35,;5.19,2.75,;5.16,1.21,;6.61,.69,;7.15,-.75,;3.76,.53,;2.43,1.3,;1.1,.53,;-.23,1.3,;-.23,2.84,;-1.58,3.63,;1.1,3.61,;1.1,5.15,;2.43,2.84,)|
CN[C@H]1CC[C@@H](c2ccccc2)c2ccccc12
CN[C@@H]1CC[C@@H](c2ccccc2)c2ccccc12
CN[C@H]1CC[C@@H](c2ccc(Cl)cc2)c2ccccc12
CN[C@H]1CC[C@@H](c2ccc(cc2)C(F)(F)F)c2ccccc12
CN[C@H]1CC[C@@H](c2cccc(c2)C(F)(F)F)c2ccccc12
CN[C@@H]1CC[C@@H](c2ccc(Cl)cc2)c2ccccc12
CN[C@H]1CC[C@@H](c2ccc(Cl)c(c2)C(F)(F)F)c2ccccc12
CN(C)[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2ccc(OC)cc2)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2ccc(F)cc2)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2ccc(Cl)cc2)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2cccc(c2)C(F)(F)F)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2ccc(Oc3ccccc3)cc2)c2ccccc12 |r|
CN(C)[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
CN[C@H]1CC[C@@H](c2ccc(F)c(OC)c2)c2ccccc12 |r|
CN[C@@H]1CC[C@@H](c2ccc(F)cc2)c2ccccc12 |r|
CN[C@@H]1CC[C@@H](c2ccc(Cl)c(c2)C(F)(F)F)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2cccc(OC)c2)c2ccccc12 |r|
CN(C)[C@@H]1CC[C@@H](c2ccc(Cl)cc2)c2ccccc12 |r|
CN(C)[C@H]1CC[C@@H](c2ccccc2)c2ccccc12 |r|
CN(C)[C@H]1CC[C@@H](c2ccc(Cl)cc2)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2ccc(Br)cc2)c2ccccc12 |r|
N[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
CN[C@@H]1CC[C@@H](c2ccc(Oc3ccccc3)cc2)c2ccccc12 |r|
CN[C@@H]1CC[C@@H](c2ccc(cc2)C(F)(F)F)c2ccccc12 |r|
CN[C@@H]1CC[C@@H](c2ccccc2OC)c2ccccc12 |r|
CN[C@@H]1CC[C@@H](c2ccc(Cl)cc2)c2ccccc12 |r|
CN[C@@H]1CC[C@@H](c2ccc(OC)cc2)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2ccc(Cl)c(c2)C(F)(F)F)c2ccccc12 |r|
CN(C)[C@H]1CC[C@@H](c2cccc(c2)C(F)(F)F)c2ccccc12
CN(C)[C@@H]1CC[C@@H](c2ccc(cc2)C(F)(F)F)c2ccccc12
CN[C@@H]1CC[C@@H](c2ccc(Br)cc2)c2ccccc12 |r|
CN(C)[C@@H]1CC[C@@H](c2cccc(c2)C(F)(F)F)c2ccccc12
CN(C)[C@H]1CC[C@@H](c2ccc(cc2)C(F)(F)F)c2ccccc12
COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F
N[C@H]1CC[C@@H](c2ccc(cc2)C(F)(F)F)c2ccccc12 |r|
CCCCOc1ccc(cc1)[C@@H]1CC[C@H](NC)c2ccccc12 |r|
CN[C@@H]1CC[C@@H](c2ccc(F)c(OC)c2)c2ccccc12
CN[C@H]1CC[C@@H](c2ccccc2OC)c2ccccc12 |r|
CN(C)[C@@H]1CC[C@@H](c2ccccc2)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2ccc(Cl)cc2Cl)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
N[C@H]1CC[C@@H](c2cccc(c2)C(F)(F)F)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2ccc(cc2)C(F)(F)F)c2ccccc12 |r|
CN[C@H]1CC[C@@H](c2ccccc2)c2ccccc12 |r|
CN[C@@H]1CC[C@@H](c2cccc(OC)c2)c2ccccc12 |r|
CN[C@@H]1CC[C@@H](c2cccc(c2)C(F)(F)F)c2ccccc12
CN[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)c2ccccc12 |r|
CCCCOc1ccc(cc1)[C@@H]1CC[C@@H](NC)c2ccccc12 |r|
Clc1ccc(cc1)C1CN2CCC[C@H]2c2ccccc12
[H][C@@]12CCCN1C[C@H](c1ccccc1)c1ccccc21 |r|
Oc1ccc(cc1)C1CN2CCC[C@H]2c2ccccc12
[O-][N+](=O)c1ccc(cc1)C1CN2CCC[C@H]2c2ccccc12
COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1
Oc1ccc(cc1O)C1CN2CCC[C@H]2c2ccccc12
COc1ccc(cc1)C1CN2CCC[C@H]2c2ccccc12
[H][C@@]12CCCN1C[C@@H](c1cccc(c1)C(F)(F)F)c1ccccc21
CSc1ccc(cc1)[C@@H]1CN2CCC[C@H]2c2ccccc12 |r|
C1C(c2ccccc2)c2ccccc2C2CCCCCN12
[H][C@@]12CCCN1C[C@@]([H])(c1ccc(N)cc1)c1ccccc21
C1CCN2CC(c3ccccc3)c3ccccc3C2C1
Clc1ccc(cc1Cl)C1CN2CCC[C@H]2c2ccccc12
COc1ccc(cc1OC)C1CN2CCC[C@H]2c2ccccc12
[H][C@@]12CCCN1C[C@H](c1ccc(N)cc1)c1ccccc21
[H][C@@]12CCCN1C[C@H](c1cccc(c1)C(F)(F)F)c1ccccc21
[H][C@@]12CCCN1C[C@H](c1ccccc1)c1ccccc21
COc1ccc2C(CC(N(C)C)c2c1)c1ccc(Cl)c(Cl)c1
CCN(CC)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
CNC1CC(c2ccccc12)c1ccc(F)cc1
CNC1CC(c2ccccc12)c1ccc(F)c(F)c1
CN(C)C1CC(c2ccccc12)c1ccc(F)c(F)c1
CN(C)C1CC(c2ccc(cc12)C(F)(F)F)c1ccc(F)cc1
CN(C)C1CC(c2ccccc12)c1ccccc1
CN(C)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
CNC1CC(c2ccccc12)c1ccc(Cl)cc1
CN(C)C1CC(c2ccccc12)c1ccc(Cl)cc1Cl
CN(C)C1CC(c2ccccc12)c1ccc(Cl)cc1
CN(C)C1CC(c2ccc(F)cc12)c1ccc(Cl)c(Cl)c1
CN(C)C1CC(c2ccccc12)c1ccc(Br)cc1
CN(C)C1CC(c2ccccc12)c1cccc(Cl)c1
CNC1CC(c2ccc(F)cc12)c1ccc(Cl)c(Cl)c1
CN(C)C1CC(c2ccccc12)c1ccc(F)cc1
CNC1CC(c2ccccc12)c1ccc(Cl)cc1Cl
CNC1CC(c2ccccc12)c1ccc(Br)cc1
CN(C)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
CCNC1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
CNC1CC(c2ccccc12)c1cccc(Cl)c1
CNC1CC(c2ccccc12)c1ccc(Cl)c(c1)C(F)(F)F
CNC1CC(c2ccccc12)c1ccccc1
Clc1ccc(cc1Cl)C1CC(N2CCCCC2)c2ccccc12
CCCN(CCC)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
CNC1CC(c2ccccc12)c1ccc(cc1)C(F)(F)F
CCCNC1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
CNCCCC1(SC(C)(C)c2ccccc12)c1ccccc1
Clc1ccc(cc1Cl)C1CC(N2CCCC2)c2ccccc12
CN(C)C1CC(c2ccc(O)cc12)c1ccc(Cl)c(Cl)c1
CN1Cc2c(cccc2N)[C@@H](C1)c3ccccc3
[H][C@@]12CCCN1C[C@@]([H])(c1ccccc1)c1ccccc21
FC(F)(F)c1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Clc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
C1C[C@H]2N(C1)C[C@@H](c1ccccc1)c1ccccc21
CSc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Clc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2cc(Cl)ccc12
FC(F)(F)c1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
COc1ccc(NC(=O)Nc2ccc(cc2)[C@@H]2CN3CCC[C@H]3c3ccccc23)cc1
Clc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Cc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12
C1C[C@@H]2N(C1)C[C@@H](c1sccc21)c1ccccc1 |r|
C1C[C@@H]2N(C1)C[C@H](C1CCCCC1)c1ccccc21 |r|
Brc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
F[C@@]1(CN2CCC[C@H]2c2ccccc12)c1ccccc1 |r|
O=C(Nc1ccccc1)Nc1ccc(cc1)[C@@H]1CN2CCC[C@H]2c2ccccc12
COc1cc(cc(OC)c1OC)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Clc1ccc(cc1Cl)[C@@H]1CN2CCC[C@@H]2c2ccccc12
C[C@@]12CCCN1C[C@H](c1ccccc1)c1ccccc21
CSc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12
[O-][N+](=O)c1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Oc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
NC(=O)c1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Clc1ccc(cc1Cl)[C@@H]1CN2CCC[C@H]2c2ccccc12
Cn1ccc2[C@@H]3CCCN3C[C@@H](c12)c1ccccc1 |r|
Clc1cccc2[C@H]3CCCN3C[C@@H](c3ccccc3)c12
CCN1CC(c2ccccc2)c2ccccc2C1
Clc1cccc(c1)[C@@H]1CN2CCC[C@H]2c2ccccc12 |r|
COc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Fc1cccc(Cl)c1[C@@H]1CN2CCC[C@@H]2c2ccccc12
N#Cc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Oc1cccc(c1)[C@@H]1CN2CCC[C@H]2c2ccccc12 |r|
CS(=O)(=O)c1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
C[C@@]12CCCN1C[C@H](c1ccc(Cl)cc1)c1ccccc21
Clc1ccc(cc1)[C@@H]1CN2CCC[C@H]2c2cc(Cl)ccc12
COc1cccc2[C@H]3CCCN3C[C@@H](c3ccccc3)c12
COc1ccc(cc1)[C@@H]1CN2CCC[C@H]2c2ccccc12 |r|
Fc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2cc(F)ccc12 |r|
Oc1ccc(cc1O)[C@@H]1CN2CCC[C@H]2c2ccccc12 |r|
Oc1cc2[C@H]3CCCN3C[C@@H](c3ccccc3)c2cc1O |r|
Oc1ccc(cc1O)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Nc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
COc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccccc1
Clc1ccc(cc1)[C@@H]1CN2CCC[C@H]2c2ccccc12
C#Cc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
C1CN2C[C@@H](c3ccccc3)c3ccccc3[C@H]12
COc1cc2[C@H]3CCCN3C[C@@H](c3ccccc3)c2cc1OC
Oc1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
FC(F)(F)c1cccc(c1)[C@@H]1CN2CCCC2c2cc(Cl)ccc12
COc1ccc(cc1OC)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Clc1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccccc1 |r|
COc1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Clc1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc23)c(Cl)c1
COc1cccc(c1)[C@@H]1CN2CCC[C@H]2c2ccccc12 |r|
O[C@]1(CN2CCC[C@H]2c2ccccc12)c1ccccc1 |r|
COc1ccc2[C@@H](CN3CCC[C@H]3c2c1)c1ccccc1 |r|
COc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12
C1CN2C[C@H](c3ccccc3)c3ccccc3[C@H]12
CCCCc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
C[C@@]1(CN2CCC[C@H]2c2ccccc12)c1ccccc1 |r|
C1C[C@@H]2N(C1)C[C@@H](c1c2[nH]c2ccccc12)c1ccccc1 |r|
O[C@@]1(CN2CCC[C@H]2c2ccccc12)c1ccccc1
CC(=O)Nc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
O=C(Nc1ccccc1)Nc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
CS(=O)(=O)c1ccc(cc1)[C@@H]1CN2CCC[C@H]2c2ccccc12 |r|
Clc1cccc(c1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
Oc1ccccc1[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
FC(F)(F)c1ccc2[C@@H](CN3CCC[C@@H]3c2c1)c1ccccc1
C1C[C@@H]2N(C1)C[C@H](c1cccs1)c1sccc21 |r|
CCn1cc(C(O)=O)c(=O)c2ccc(Cc3ccccc3)nc12
C[C@@]12CCCCN1C[C@H](c1ccccc1)c1ccccc21
C1CCN2C[C@H](c3ccccc3)c3ccccc3[C@@H]2C1
Fc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Fc1ccc(cc1)[C@@H]1C[C@@H](N2CCN(CCN3CCNC3=O)CC2)c2ccccc12
Fc1ccc(cc1)[C@H]1C[C@H](N2CCN(CCN3CCNC3=O)CC2)c2cc(F)ccc12
CN1CCN(CC1)[C@H]1C[C@@H](c2ccc(F)cc12)c1ccc(F)cc1
Fc1ccc(cc1)[C@@H]1C[C@@H](N2CCN(CCN3CCNC3=O)CC2)c2cc(F)ccc12
Fc1ccc(cc1)[C@@H]1C[C@@H](N2CCNCC2)c2ccccc12
Fc1ccc(cc1)[C@H]1C[C@H](N2CCNCC2)c2ccccc12
Fc1ccc(cc1)[C@H]1C[C@H](N2CCN(CCN3CCNC3=O)CC2)c2ccccc12
CN1CCN(CC1)[C@@H]1C[C@H](c2ccc(F)cc12)c1ccc(F)cc1
COc1ccc(cc1)C(CN(C)C)C1(O)CCCC1
CN(C)CC(c1cccc(Br)c1)C1(O)CCCCC1
CN(C)CC(c1ccc(cc1)C(F)(F)F)C1(O)CCCCCC1
COc1ccc(cc1Br)C(CN(C)C)C1(O)CCCCC1
CN(C)CC(c1ccc(Br)cc1)C1(O)CCC1
CN(C)CC(c1ccc(Br)cc1)C1(O)CCCCC1
CN(C)CC(c1ccc(C)cc1)C1(O)CCCCC1
CN(C)CC(c1ccccc1)C1(O)CCCCC1
COc1ccc(cc1)C(CN(C)C)C1(O)CCCCCC1
COc1ccc(cc1OC)C(CN(C)C)C1(O)CCCCC1
CN(C)CC(c1ccc(cc1)C(F)(F)F)C1(O)CCCCC1
CNCC(c1ccc(OC)cc1)C1(O)CCCCC1
COc1cccc(c1)C(CN(C)C)C1(O)CCCC1
CN(C)CC(c1ccc(cc1)C(F)(F)F)C1(O)CCCC1
CN(C)CC(c1ccc(Cl)c(Cl)c1)C1(O)CCCCC1
CCOC(=O)[C@@H]1C2CC[C@H](C[C@@H]1OC(=O)c1ccccc1)N2C |TLB:22:21:5.11.10:7.8,THB:12:11:21:7.8,3:5:21:7.8|
CC(C)OC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |TLB:21:20:6.12.11:8.9,THB:4:6:20:8.9,13:12:20:8.9|
CC(C)OC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C |TLB:21:20:6.12.11:8.9,THB:4:6:20:8.9,13:12:20:8.9|
CN1[C@@H]2CCC1[C@H]([C@H](C2)c1ccc(I)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,9:7:1:4.3,0:1:6.7.8:4.3|
CN1[C@@H]2CCC1[C@H]([C@H](C2)OC(=O)c1ccccc1)C(=O)OCCCc1ccccc1 |TLB:9:7:1:4.3,18:6:1:4.3,0:1:6.7.8:4.3|
CN1[C@@H]2CCC1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,9:7:1:4.3,0:1:6.7.8:4.3|
CC(C)OC(=O)[C@@H]1C2CC[C@H](C[C@@H]1OC(=O)c1ccccc1)N2C |TLB:23:22:6.12.11:8.9,THB:4:6:22:8.9,13:12:22:8.9|
CN1[C@@H]2CCC1[C@H]([C@H](C2)c1ccc(C)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,9:7:1:4.3,0:1:6.7.8:4.3|
CN1[C@@H]2CCC1[C@H]([C@H](C2)OC(=O)c1ccccc1)C(=O)Oc1ccccc1 |TLB:18:6:1:4.3,9:7:1:4.3,0:1:6.7.8:4.3|
CC(C)OC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:21:20:6.12.11:8.9,THB:4:6:20:8.9,13:12:20:8.9|
COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7|
CCCOC(=O)[C@@H]1C2CC[C@H](C[C@@H]1OC(=O)c1ccccc1)N2C |TLB:23:22:6.12.11:8.9,THB:13:12:22:8.9,4:6:22:8.9|
CN1C2CCC1C([C@H](C2)c1ccccc1)c1nc(C)no1 |TLB:15:6:1:4.3,9:7:1:4.3,0:1:6.7.8:4.3|
CN1C2CCC1C([C@H](C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccc(Cl)cc1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,9:7:1:4.3|
CN1C2CCC1C([C@H](C2)c1ccc(Cl)cc1)c1nc(C)no1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,9:7:1:4.3|
CC(C)c1noc(n1)C1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:23:22:8.14.13:10.11,THB:6:8:22:10.11,15:14:22:10.11|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3|
COc1ccc(cc1)-c1noc(n1)C1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:28:27:13.19.18:15.16,THB:11:13:27:15.16,20:19:27:15.16|
CN1C2CCC1C([C@H](C2)c1ccc(C)cc1)c1nc(no1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C([C@H](C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccc(Br)cc1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,9:7:1:4.3|
[H][C@]12CCC(N1)[C@H]([C@H](C2)c1ccc(I)cc1)C(=O)OC(C)C |TLB:9:7:5:3.2,THB:16:6:5:3.2|
[H][C@]12CCC(N1)[C@H]([C@H](C2)c1ccc(CC)cc1)C(=O)OC |TLB:9:7:5:3.2,THB:17:6:5:3.2|
[H][C@]12CCC(N1)[C@H]([C@H](C2)c1ccc(I)cc1)C(=O)OC |TLB:9:7:5:3.2,THB:16:6:5:3.2|
COC(=O)C1C2CCC(C[C@@H]1c1ccccc1)N2 |TLB:11:10:17:6.7,THB:2:4:17:6.7|
CCc1ccc(cc1)[C@H]1C[C@H]2CCC(C1C(=O)OC)N2C |THB:15:14:19:12.11,5:8:19:12.11,20:19:14.8.9:12.11|
COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7|
COC(=O)C1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2 |THB:11:10:20:6.7,2:4:20:6.7|
COC(=O)C1C2CCC(C[C@@H]1c1ccc(F)cc1)N2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
COC(=O)C1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
CN1[C@@H]2CCC1C([C@H](C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccccc1 |TLB:16:6:1:4.3,9:7:1:4.3,THB:0:1:6.7.8:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1ncc(o1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1nnc(o1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,9:7:1:4.3|
CC(C)OC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:13:12:20:8.9,THB:4:6:20:8.9|
CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CC(C)OC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:13:12:20:8.9,THB:4:6:20:8.9|
CC(C)OC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:4:6:20:8.9,13:12:20:8.9|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)NCO |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)Oc1cccc(C)c1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
[H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)N1CCCC1)N2C |r,TLB:24:23:7.8.6:2.3|
CN(C)C(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:12:11:19:7.8,THB:3:5:19:7.8|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccc(C)cc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)N1CCOCC1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)N1CCCO1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CCN(CC)C(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |TLB:14:13:21:9.10,THB:5:7:21:9.10|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)N1CCC1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccccc1C |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CON(C)C(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C |THB:4:6:22:8.9,13:12:22:8.9|
CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)N1CCCO1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)Oc1cccc(C)c1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CC(C)OC(=O)C1C2CCC(CC1c1ccccc1)N2C |TLB:13:12:19:8.9,THB:4:6:19:8.9|
COC(=O)C1C2CCC(CC1c1ccc(Cl)c(C)c1)N2C |TLB:11:10:19:6.7,THB:2:4:19:6.7|
CON(C)C(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:13:12:20:8.9,THB:4:6:20:8.9|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)OC1CC1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)OC1CCC1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(N)=O |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CCCOC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C |THB:13:12:22:8.9,4:6:22:8.9|
CN(C(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C)c1ccccc1 |TLB:11:10:18:6.7,THB:2:4:18:6.7|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)OC1CCCC1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)OC(=O)c1ccccc1)C(=O)OCCCc1ccccc1 |TLB:9:7:1:4.3,18:6:1:4.3|
CON(C)C(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |TLB:13:12:20:8.9,THB:4:6:20:8.9|
CN1C2CCC1C(C(C2)OC(=O)c1ccccc1)C(N)=O |TLB:18:6:1:4.3,9:7:1:4.3|
COc1ccc(OC(=O)C2C3CCC(CC2c2ccc(Cl)cc2)N3C)cc1 |TLB:16:15:23:11.12,THB:7:9:23:11.12|
CNC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C |THB:2:4:20:6.7,11:10:20:6.7|
CN1C2CCC1C(C(C2)OC(=O)c1ccccc1)C(=O)OCc1ccccc1 |TLB:18:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)N1CCCCC1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CCN(CC)C(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:14:13:21:9.10,THB:5:7:21:9.10|
COc1ccc(OC(=O)C2C3CCC(CC2c2ccc(C)cc2)N3C)cc1 |TLB:16:15:23:11.12,THB:7:9:23:11.12|
CNC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:11:10:18:6.7,THB:2:4:18:6.7|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)OC1CC1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)Oc1ccc(C)cc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)OC(=O)c1ccccc1)C(=O)OCCc1ccccc1 |TLB:9:7:1:4.3,18:6:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccc(Cl)cc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccccc1)C(=O)Oc1ccccc1 |TLB:15:6:1:4.3,THB:9:7:1:4.3|
COC(=O)C1C2CCC(CC1c1ccc(N)c(I)c1)N2C |TLB:11:10:19:6.7,THB:2:4:19:6.7|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)Oc1ccc(Cl)cc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)N1CCOCC1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(=O)Oc1ccccc1C |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN(C)C(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C |THB:3:5:21:7.8,12:11:21:7.8|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccc(I)cc1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)OC1CC1 |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1C(C(C2)OC(=O)c1ccccc1)C(=O)Oc1ccccc1 |TLB:18:6:1:4.3,9:7:1:4.3|
CONC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |TLB:12:11:19:7.8,THB:3:5:19:7.8|
CN1C2CCC1C(C(C2)OC(=O)c1ccccc1)C(=O)OC\C=C\c1ccccc1 |TLB:9:7:1:4.3,18:6:1:4.3|
CCOC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C |THB:12:11:21:7.8,3:5:21:7.8|
CC(C)OC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C |THB:4:6:22:8.9,13:12:22:8.9|
CON(C)C(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C |TLB:13:12:20:8.9,THB:4:6:20:8.9|
CCC(CC)OC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |TLB:15:14:22:10.11,THB:6:8:22:10.11|
COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C |TLB:20:19:4.10.9:6.7,THB:11:10:19:6.7,2:4:19:6.7|
[H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(Cl)cc1)C(=O)N1CCCC1)N2C |r,TLB:9:7:23:3.2,THB:16:6:23:3.2|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)C(N)=O |TLB:16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1nnn[nH]1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nnc(o1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@@H](C(C2)c1ccc(Cl)cc1)c1nnc(o1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nc2ccccc2s1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nnn[nH]1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1nnc(o1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@@H](C(C2)c1ccc(C)cc1)c1nnc(o1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)C(O)=O |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1cc(C)no1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1ncc(o1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1cc(no1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1nc(no1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1ncc(o1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1cc(C)no1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)C(=O)Oc1ccccc1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nc(C)no1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1C2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nc(no1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@@H](C(C2)c1ccc(Cl)cc1)c1nc2ccccc2s1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1C2CCC1[C@H](C(C2)c1ccc(Cl)cc1)c1nnc(s1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(I)cc1)c1cc(C)no1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(I)cc1)c1cc(no1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1nnc(C)o1 |TLB:16:6:1:4.3,0:1:6.7.8:4.3,THB:9:7:1:4.3|
CN1[C@@H]2CCC1[C@H](C(C2)c1ccc(C)cc1)c1nnc(s1)-c1ccccc1 |TLB:0:1:6.7.8:4.3,16:6:1:4.3,THB:9:7:1:4.3|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2CC(=O)N(C)C |r,THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCF |THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCBr |THB:2:4:18:6.7|
CC(C)OC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCF |THB:4:6:20:8.9|
CC(C)OC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCF |THB:4:6:20:8.9|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCCl |THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2C(=O)C(C)C |THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCO |THB:2:4:18:6.7|
COC(CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)OC)OC |TLB:19:9:4:7.6|
COC(=O)CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)OC |TLB:20:10:5:8.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CC(F)F |THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCI |THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CC1CC1 |THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCOS(C)(=O)=O |THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)C)N2C |TLB:21:20:4.10.9:6.7,THB:2:4:20:6.7,11:10:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)C#C)N2 |THB:2:4:19:6.7,11:10:19:6.7|
COC(=O)C1C2CCC(CC1c1ccc(\C=C\C)cc1)N2C |TLB:21:20:4.10.9:6.7,THB:2:4:20:6.7,11:10:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(C=C)cc1)N2C |TLB:20:19:4.10.9:6.7,THB:2:4:19:6.7,11:10:19:6.7|
CCCc1ccc(cc1)C1CC2CCC(C1C(=O)OC)N2C |TLB:6:9:20:13.12,21:20:15.9.10:13.12,THB:16:15:20:13.12|
COC(=O)C1C2CCC(CC1c1ccc(\C=C/C)cc1)N2 |THB:2:4:20:6.7,11:10:20:6.7|
CCc1ccc(cc1)C1CC2CCC(N2)C1C(=O)OC |THB:16:15:14:12.11,5:8:14:12.11|
COC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)=C)N2 |THB:2:4:20:6.7,11:10:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)C#CC)N2 |THB:2:4:20:6.7,11:10:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(C=C)cc1)N2 |THB:2:4:19:6.7,11:10:19:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2 |r,TLB:11:10:20:6.7,THB:2:4:20:6.7|
CCCc1ccc(cc1)C1CC2CCC(N2)C1C(=O)OC |TLB:6:9:15:13.12,THB:17:16:15:13.12|
COC(=O)C1C2CCC(CC1c1ccc(cc1)C(C)=C)N2C |TLB:21:20:4.10.9:6.7,THB:2:4:20:6.7,11:10:20:6.7|
CCc1ccc(cc1)C1CC2CCC(C1C(=O)OC)N2C |TLB:20:19:14.8.9:12.11,THB:15:14:19:12.11,5:8:19:12.11|
COC(=O)C1C2CCC(CC1c1ccc(cc1)C#CC)N2C |TLB:21:20:4.10.9:6.7,THB:2:4:20:6.7,11:10:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(\C=C\C)cc1)N2 |THB:2:4:20:6.7,11:10:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(CC=C)cc1)N2 |THB:2:4:20:6.7,11:10:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)C#C)N2C |TLB:20:19:4.10.9:6.7,THB:2:4:19:6.7,11:10:19:6.7|
COC(=O)C1C2CCC(CC1c1ccc(CC=C)cc1)N2C |TLB:21:20:4.10.9:6.7,THB:2:4:20:6.7,11:10:20:6.7|
COC(=O)C1C2CCC(CC1c1ccc(\C=C/C)cc1)N2C |TLB:21:20:4.10.9:6.7,THB:2:4:20:6.7,11:10:20:6.7|
CCc1ccc(cc1I)C1CC2CCC(N2)C1C(=O)OC |THB:5:9:15:13.12,17:16:15:13.12|
[H][C@@]12CC[C@@]([H])([C@H]([C@H](C1)c1ccccc1)c1ccccc1)N2C |THB:9:7:21:3.2,15:6:21:3.2|
[H][C@@]12CC[C@@]([H])([C@@H]([C@@H](C1)c1ccccc1)c1ccccc1)N2C |THB:9:7:21:3.2,15:6:21:3.2|
CN1C2CCC1C(O)(C(C2)c1ccccc1)c1ccccc1 |TLB:16:6:1:4.3,10:8:1:4.3,7:6:1:4.3|
CN1C2CCC1C(=C(C2)c1ccccc1)c1ccccc1 |c:7,TLB:9:7:1:4.3,15:6:1:4.3|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2Cc1ccccc1 |r,TLB:19:18:7.6:9.10.4,11:10:7.6:18,THB:2:4:7.6:18|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C\C=C\I |r,TLB:11:10:7.6:19,20:19:7.6:9.10.4,THB:2:4:7.6:19|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(C)cc1)N2C\C=C\I |r,TLB:11:10:7.6:18,19:18:7.6:9.10.4,THB:2:4:7.6:18|
COC(=O)[C@@H]1C2CCC(CC1c1ccc(I)cc1)N2Cc1ccccc1C |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)[C@@H]1C2CCC(CC1c1ccc(cc1)C(C)C)N2C\C=C\I |THB:2:4:20:6.7,11:10:20:6.7|
CCCc1ccc(cc1)C1CC2CCC([C@H]1C(=O)OC)N2C\C=C\I |THB:16:15:20:13.12,6:9:20:13.12|
COC(=O)[C@@H]1C2CCC(CC1c1ccc(I)cc1)N2CC(Br)=C |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)[C@@H]1C2CCC(CC1c1ccc(I)cc1)N2C\C=C\C |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)[C@@H]1C2CCC(CC1c1ccccc1)N2C\C=C\I |THB:2:4:17:6.7,11:10:17:6.7|
COC(=O)[C@@H]1C2CCC(CC1c1ccc(I)cc1)N2C\C=C\I |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)[C@@H]1C2CCC(CC1c1ccc(I)cc1)N2CC#C |THB:2:4:18:6.7,11:10:18:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccc(I)cc1O)N2C |THB:23:22:4.10.9:6.7,11:10:22:6.7,2:4:22:6.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1O)N2C |THB:11:10:21:6.7,2:4:21:6.7,22:21:4.10.9:6.7|
CC(C)OC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccc(I)cc1O)N2C |THB:4:6:24:8.9,25:24:6.12.11:8.9,13:12:24:8.9|
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccc(I)cc1)N2C |THB:22:21:4.10.9:6.7,11:10:21:6.7,2:4:21:6.7|
Fc1ccc(cc1)[C@H]1CC2CCC(N2)[C@H]1COc1ccc2OCOc2c1 |THB:15:14:13:11.10,4:7:13:11.10|
CN1C2CCC1[C@@H](COc1ccc3OCOc3c1)[C@H](C2)c1ccc(F)cc1 |TLB:0:1:6.18.19:4.3,7:6:1:4.3,20:18:1:4.3|
Fc1ccc(cc1)[C@@H]1CC2CCC(N2)[C@H]1COc1ccc2OCOc2c1 |THB:15:14:13:11.10,4:7:13:11.10|
Fc1ccc(cc1)[C@H]1CC2CCC(N2)[C@@H]1COc1ccc2OCOc2c1 |THB:15:14:13:11.10,4:7:13:11.10|
Fc1ccc(cc1)[C@@H]1CC2CCC(N2)[C@@H]1COc1ccc2OCOc2c1 |THB:15:14:13:11.10,4:7:13:11.10|
C[C@H]1CN(CCCn2c3ccc(Br)cc3c3cc(Br)ccc23)C[C@H](C)N1 |r|
C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@H](C)N1CCCc1ccccc1 |r|
C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1CCCc1ccccc1 |r|
C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@H](C)N1C |r|
C[C@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@H](C)N1 |r|
C[C@H]1CN(CCCn2c3ccccc3c3cc(ccc23)[N+]([O-])=O)C[C@H](C)N1 |r|
C[C@H]1CN(CCCn2c3ccc(cc3c3cc(ccc23)[N+]([O-])=O)[N+]([O-])=O)C[C@H](C)N1 |r|
C[C@H]1CN(CCCn2c3ccccc3c3cc(N)ccc23)C[C@H](C)N1 |r|
C[C@@H]1CN(CCCn2c3ccc(Br)cc3c3cc(Br)cc(Br)c23)C[C@@H](C)N1
C(CN1CCN(CC1)c1ccccc1)Cn1c2ccccc2c2ccccc12
CN(C)C1C2CCC(CC2OC(C)=O)C1c1ccccc1 |TLB:10:9:3.14:5.6,15:14:9.8:5.6,THB:1:3:9.8:5.6|
CN(C)C1C2CCC(CC2O)C1c1ccccc1 |TLB:12:11:9.8:5.6,10:9:3.11:5.6,THB:1:3:9.8:5.6|
CN(C)CC1C2CCC(CC2)C1c1ccc(Cl)c(Cl)c1 |TLB:12:11:6.7:10.9,3:4:6.7:10.9,(14.29,-10.51,;12.82,-10.91,;12.42,-12.4,;11.72,-9.83,;10.24,-10.23,;8.64,-9.3,;8.64,-7.92,;9.48,-7.09,;9.48,-8.18,;7.78,-8.95,;7.01,-10.17,;11.05,-9.11,;11.79,-7.76,;11.02,-6.45,;11.76,-5.1,;13.32,-5.1,;14.1,-3.67,;14.09,-6.42,;15.64,-6.42,;13.33,-7.76,)|
CN(C)C1C2CCC(CC2OC(=O)c2ccccc2)C1c1ccccc1 |TLB:20:19:9.8:5.6,THB:10:9:3.19:5.6,1:3:9.8:5.6|
CN(C)C1C2CCC(CC2=O)C1c1ccccc1 |TLB:10:9:3.11:5.6,12:11:9.8:5.6,THB:1:3:9.8:5.6|
COC(=O)[C@H](c1ccccc1)[C@H]2CCCCN2
COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1cccc2ccccc12 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C/c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1cccs1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(F)cc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
CC(=O)OC[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:8:9:6.5:12.13|
COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(OC)cc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccoc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
OC[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:5:6:3.2:9.10|
COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(cc1)-c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccco1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7|
OC[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:5:6:3.2:9.10|
CN[C@@H]1CC(c2cc(OC)c(OC)cc12)c1ccc(Cl)c(Cl)c1
CN[C@@H]1[C@@H](O)C(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
CN[C@@H]1CC(c2cc(OC)ccc12)c1ccc(Cl)c(Cl)c1
CN[C@@H]1CC(c2cccc(OC)c12)c1ccc(Cl)c(Cl)c1
CN[C@@H]1CC(c2c1cccc2OC)c1ccc(Cl)c(Cl)c1
CN[C@@H]1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1
CN[C@@H]1CC(c2ccc(OC)cc12)c1ccc(Cl)c(Cl)c1OC
COC(=O)C1CN(C)CC[C@@H]1c1ccc(CC=C)cc1
COC(=O)C1CN(C)CC[C@@H]1c1ccc(C=C)cc1
CCc1ccc(cc1)[C@H]1CCN(C)CC1C(=O)OC
COC(=O)C1CN(C)CC[C@@H]1c1cccc2ccccc12
COC(=O)C1CN(C)CC[C@@H]1c1ccc(cc1)-c1ccccc1
COC(=O)C1CN(C)CC[C@@H]1c1ccc(cc1)C#C
COC(=O)C1CN(C)CC[C@@H]1c1ccc(Cl)cc1
COC(=O)C1CNCC[C@H]1c1ccc2ccccc2c1
CNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCNC(=O)\C=C\c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)NCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)NCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCNC(=O)c1ccccc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)OCCCOC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)C(=O)NCCCNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)OCCCCCCCCOC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@H]([C@@H](C1)C(=O)NCCCCCCCCNC(=O)[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)OCCCCCOC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)NCCCCCCCCNC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(Cl)c1 |THB:9:7:1:3.4|
Clc1cccc(c1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccccc1 |TLB:8:9:16:12.13,17:16:9.15.10:12.13|
Clc1ccc(cc1)C(OC1CC2CCC(C1)N2CC=C)c1ccccc1 |TLB:17:16:9.10.15:12.13,8:9:16:12.13|
Clc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccc(Cl)cc1 |TLB:8:9:16:12.13,17:16:9.15.10:12.13|
CN1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |THB:9:7:1:3.4|
CCCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |TLB:8:10:16.15.17:12.13,THB:18:16:10:12.13|
Clc1cccc(c1)C(OC1CC2CCC(C1)N2CC=C)c1ccccc1 |TLB:8:9:16:12.13,17:16:9.10.15:12.13|
CCCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1 |TLB:8:10:16.15.17:12.13,THB:18:16:10:12.13|
Clc1cccc(c1)C(OC1CC2CCC(C1)N2)c1ccccc1 |TLB:8:9:16:12.13|
CCCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(Cl)c1 |TLB:8:10:16.15.17:12.13,THB:18:16:10:12.13|
Clc1ccc(cc1)C(OC1CC2CCC(C1)N2)c1ccc(Cl)cc1 |TLB:8:9:16:12.13|
CCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |TLB:7:9:15.14.16:11.12,THB:17:15:9:11.12|
CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1 |THB:9:7:1:3.4|
Clc1ccc(cc1)C(OC1CC2CCC(C1)N2CC=C)c1ccc(Cl)cc1 |TLB:17:16:9.10.15:12.13,8:9:16:12.13|
CCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1 |TLB:7:9:15.14.16:11.12,THB:17:15:9:11.12|
CCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(Cl)c1 |TLB:7:9:15.14.16:11.12,THB:17:15:9:11.12|
Clc1ccc(cc1)C(OC1CC2CCC(C1)N2)c1ccccc1 |TLB:8:9:16:12.13|
Clc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccccc1 |TLB:8:9:16:12.13,17:16:9.15.10:12.13|
N#Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1F
C(CC1CCN(Cc2ccccc2)CC1)NC(c1ccccc1)c1ccccc1
Fc1ccc(CN2CCC(CCNC(c3ccccc3)c3ccccc3)CC2)cc1
Fc1ccc(CN2CCC(CNOC(c3ccccc3)c3ccccc3)CC2)cc1
Fc1ccc(CN2CCC(CCNC(c3ccccc3)c3ccccc3)CC2)cc1F
COC(=O)C1CNCC[C@@H]1c1ccc(Cl)cc1
COC(=O)C1CN(CC[C@@H]1c1ccc(Cl)cc1)C(C)=O
Cc1noc(n1)C1CNCC[C@@H]1c1ccc(Cl)cc1
COC(=O)C1CN(CCCF)CC[C@@H]1c1ccc(Cl)cc1
CN1CC[C@@H](C(C1)c1nc(C)no1)c1ccc(Cl)cc1
CCOC(=O)CCN1CC[C@@H](C(C1)C(=O)OC)c1ccc(Cl)cc1
CN1CC[C@@H](C(CO)C1)c1ccc(Cl)cc1
COC(=O)C1CN(CCCc2ccccc2)CC[C@@H]1c1ccc(Cl)cc1
COC(=O)C1CN(CC[C@@H]1c1ccc(Cl)cc1)C(C)C
COC(=O)C1CN(CCCCl)CC[C@@H]1c1ccc(Cl)cc1
COC(=O)C1CN(CCC(c2ccccc2)c2ccccc2)CC[C@@H]1c1ccc(Cl)cc1
COC(=O)C1CN(CC[C@@H]1c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
COC(=O)C1CN(Cc2ccc(O)cc2)CC[C@@H]1c1ccc(Cl)cc1
OCC1CNCC[C@@H]1c1ccc(Cl)cc1
COC(=O)C1=C(CC2CCC1N2C)c1ccc2ccccc2c1 |t:4,THB:12:11:4.5.6:9.8,13:5:11:9.8,2:4:11:9.8|
C#Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
COc1cccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)c1
C(CC1CCN(Cc2ccc(cc2)-c2cccc3ccccc23)CC1)OC(c1ccccc1)c1ccccc1
CC(=C)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
Oc1cccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)c1
CC#Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
C=Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
C(CC1CCN(Cc2ccc(cc2)-c2ccc3ccccc3c2)CC1)OC(c1ccccc1)c1ccccc1
Oc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
CC(C)c1ccc(CN2CCCC(CCOC(c3ccccc3)c3ccccc3)C2)cc1
CN1[C@@H]2CCC1C(Cc1ccc(C)cc1)C(C2)c1ccc(C)cc1 |TLB:17:15:1:4.3,7:6:1:4.3,0:1:6.15.16:4.3|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(C)c(C)c1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
CC(=O)OCC1C2CCC3CC1\C(CN23)=C\c1ccc2ccccc2c1 |TLB:7:6:12.13:9.10,THB:4:5:12.13:9.10|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)C(F)(F)F |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Br)cc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(cc1)C(C)C |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
Clc1ccc(\C=C2/CN3C4CCC3C(\C=C/c3ccccc3)C2C4)cc1Cl |TLB:14:13:6.7:9.23,THB:11:12:6.7:9.23|
Clc1ccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)cc1Cl |TLB:14:13:6.7:9.25,THB:11:12:6.7:9.25|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cccc2ccccc12 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Br)c(Cl)c1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(F)c(F)c1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(F)cc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
Brc1ccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)cc1 |TLB:14:13:6.7:9.25,THB:11:12:6.7:9.25|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(OC)cc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
Clc1ccc(\C=C2/CN3C4CCC3C(COC(=O)CCCCCCCCCC(=O)OCC3C5CCC6CC3\C(CN56)=C\c3ccc(Cl)c(Cl)c3)C2C4)cc1Cl |TLB:14:13:6.7:9.51,33:32:38.39:35.36,THB:30:31:40:33.34,30:31:38.39:35.36,38:37:40:33.34,11:12:6.7:9.51,39:40:31.37.36:33.34|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccccc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(C)cc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
Ic1ccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)cc1 |TLB:14:13:6.7:9.25,THB:11:12:6.7:9.25|
Clc1ccc(\C=C2/CN3C4CCC3C(COc3ccc(I)cc3)C2C4)cc1Cl |TLB:14:13:6.7:9.24,THB:11:12:6.7:9.24|
Clc1cc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)ccc1I |TLB:13:12:5.6:8.24,THB:10:11:5.6:8.24|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cccc(Cl)c1Cl |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
CCC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:6:5:11.12:8.9,THB:2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cccc(Cl)c1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
CN(C)C(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:7:6:12.13:9.10,THB:12:11:14:7.8,3:5:14:7.8,3:5:12.13:9.10,13:14:5.11.10:7.8|
O=C(OCC1C2CCC3CC1\C(CN23)=C\c1ccc2ccccc2c1)c1ccccc1 |TLB:6:5:11.12:8.9,THB:3:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(\C=C2/CN3C4CCC3C(C2C4)C(=O)OC)cc1 |TLB:30:27:22:25.24,30:27:20.21:23.29,6:5:11.12:8.9,20:28:22:25.24,THB:2:4:13:6.7,2:4:11.12:8.9,25:26:20.21:23.29,11:10:13:6.7,12:13:4.10.9:6.7,21:22:27.28.29:25.24|
Clc1ccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccc5ccccc5c3)C2C4)cc1Cl |TLB:14:13:6.7:9.29,THB:11:12:6.7:9.29|
CC(=O)OCC1C2CCC3CC1\C(CN23)=C\c1cccc(Cl)c1 |TLB:7:6:12.13:9.10,THB:4:5:12.13:9.10|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cc(Cl)cc(Cl)c1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(I)c(Cl)c1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc2ccccc2c1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
CC(=O)OCC1C2CCC3CC1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:7:6:12.13:9.10,THB:4:5:12.13:9.10|
CNC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(I)cc1Cl |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Cl)cc1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1cc2ccccc2c2ccccc12 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
CC(=O)OCC1C2CCC3CC1\C(CN23)=C\c1ccc(I)cc1 |TLB:7:6:12.13:9.10,THB:4:5:12.13:9.10|
CON(C)C(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:8:7:13.14:10.11,THB:13:12:15:8.9,4:6:15:8.9,4:6:13.14:10.11,14:15:6.12.11:8.9|
Clc1ccc(\C=C2/CN3C4CCC3C(C2C4)C(=O)Oc2ccccc2)cc1Cl |TLB:6:14:8:11.10,16:13:8:11.10,16:13:6.7:9.15,THB:7:8:13.14.15:11.10,11:12:6.7:9.15|
Clc1cccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)c1 |TLB:15:14:7.8:10.26,THB:12:13:7.8:10.26|
Cc1ccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)cc1Cl |TLB:14:13:6.7:9.25,THB:11:12:6.7:9.25|
CC(C)OC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(Cl)c(Cl)c1 |TLB:8:7:13.14:10.11,THB:13:12:15:8.9,4:6:15:8.9,4:6:13.14:10.11,14:15:6.12.11:8.9|
Clc1ccc(\C=C2/CN3C4CCC3C(COC(=O)c3ccc(I)cc3)C2C4)cc1Cl |TLB:14:13:6.7:9.26,THB:11:12:6.7:9.26|
Clc1cc(\C=C2/CN3C4CCC3C(COC(=O)c3ccccc3)C2C4)ccc1Br |TLB:13:12:5.6:8.24,THB:10:11:5.6:8.24|
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(C)c(Cl)c1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
CCc1ccc(cc1)[C@H]1C[C@H]2CCC(N2)C1C(=O)OC |THB:16:15:14:12.11,5:8:14:12.11|
[H][C@@]12CCC(C([C@@H](C1)c1ccc(C)cc1)C(=O)OC)N2C |r,TLB:8:6:3.2:19,THB:15:5:3.2:19|
[H][C@@]12CCC(C([C@@H](C1)c1ccc(Cl)c(Cl)c1)C(=O)OC)N2C |r,TLB:8:6:3.2:20,THB:16:5:3.2:20|
COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2C |THB:20:19:4.10.9:6.7,11:10:19:6.7,2:4:19:6.7|
COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(C)c(F)c1)N2 |THB:11:10:19:6.7,2:4:19:6.7|
CC(C)OC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C |THB:4:6:20:8.9,13:12:20:8.9,21:20:6.12.11:8.9|
CN(C)C(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)cc1)N2C |THB:3:5:19:7.8,12:11:19:7.8,20:19:5.11.10:7.8|
COC(=O)C1C2CC[C@H](C[C@@H]1c1cccc(I)c1)N2 |THB:2:4:18:6.7,11:10:18:6.7|
CN1[C@@H]2CCC1C([C@H](C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccc(C)cc1 |TLB:16:6:1:4.3,9:7:1:4.3,THB:0:1:6.7.8:4.3|
[H][C@@]12CCC(C([C@H](C1)c1ccc(Cl)cc1)C(=O)OCCc1ccc(cc1)N=S)N2C |r,THB:15:5:3.2:28,8:6:3.2:28|
[H][C@@]12CCC(C([C@@H](C1)c1ccc(Br)cc1)C(=O)OC)N2C |r,TLB:8:6:3.2:19,THB:15:5:3.2:19|
COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7|
CN1[C@@H]2CCC1C([C@H](C2)c1ccc(C)cc1)c1ccccc1 |TLB:9:7:1:4.3,16:6:1:4.3,THB:0:1:7.6.8:4.3|
CCc1ccc(cc1I)[C@H]1C[C@H]2CCC(N2)C1C(=O)OC |THB:5:9:15:13.12,17:16:15:13.12|
COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(cc1)C(C)=C)N2 |THB:2:4:20:6.7,11:10:20:6.7|
CN1[C@@H]2CCC1C([C@H](C2)c1ccc(Cl)cc1)C(=O)N1CCCC1 |TLB:16:6:1:4.3,9:7:1:4.3,THB:0:1:6.7.8:4.3|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(cc2)N(C)C)C1CC3 |THB:2:4:12.11:9.30.8.31,6:5:12.11:9.30.8.31|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(I)cc2)C1CC3 |THB:2:4:12.11:9.28.8.29,6:5:12.11:9.28.8.29|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(s2)-c2ccc(OC)cc2)C1CC3 |THB:2:4:12.11:9.28.8.29,6:5:12.11:9.28.8.29|
CC(=O)OCC1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccccc2)C1CC3 |THB:4:5:13.12:10.28.9.29,7:6:13.12:10.28.9.29|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(c(Cl)c2)-c2ccccc2)C1CC3 |THB:2:4:12.11:9.28.8.29,6:5:12.11:9.28.8.29|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2Cl)C1CC3 |THB:2:4:12.11:9.29.8.30,6:5:12.11:9.29.8.30|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(Cl)c(Cl)c2)C1CC3 |THB:2:4:12.11:9.29.8.30,6:5:12.11:9.29.8.30|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-n2cccc2)C1CC3 |THB:2:4:12.11:9.26.8.27,6:5:12.11:9.26.8.27|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)C1CC3 |THB:2:4:12.11:9.31.8.32,6:5:12.11:9.31.8.32|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccsc2)C1CC3 |THB:2:4:12.11:9.26.8.27,6:5:12.11:9.26.8.27|
COC(=O)C1C2CCC3CN2C\C(=C/c2cc(Cl)c(c(Cl)c2)-c2ccccc2)C1CC3 |THB:2:4:12.11:9.29.8.30,6:5:12.11:9.29.8.30|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(s2)-c2ccccc2)C1CC3 |THB:2:4:12.11:9.26.8.27,6:5:12.11:9.26.8.27|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2cc(Cl)cc(Cl)c2)C1CC3 |THB:2:4:12.11:9.29.8.30,6:5:12.11:9.29.8.30|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2cccc(Cl)c2)C1CC3 |THB:2:4:12.11:9.28.8.29,6:5:12.11:9.28.8.29|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(OC)cc2)C1CC3 |THB:2:4:12.11:9.29.8.30,6:5:12.11:9.29.8.30|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(C)cc2)C1CC3 |THB:2:4:12.11:9.28.8.29,6:5:12.11:9.28.8.29|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(cc2)C#N)C1CC3 |THB:2:4:12.11:9.29.8.30,6:5:12.11:9.29.8.30|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(C)s2)C1CC3 |THB:2:4:12.11:9.27.8.28,6:5:12.11:9.27.8.28|
Clc1ccc(cc1Cl)-c1ccc(\C=C2/CN3CC4CCC3C(COC(=O)c3ccccc3)C2CC4)cc1Cl |THB:19:20:13.14:16.33.17.34,22:21:13.14:16.33.17.34|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2cccs2)C1CC3 |THB:2:4:12.11:9.26.8.27,6:5:12.11:9.26.8.27|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccco2)C1CC3 |THB:2:4:12.11:9.26.8.27,6:5:12.11:9.26.8.27|
COC(=O)C1C2CCC3CN2C\C(=C/c2ccc(cc2)-c2ccc(Cl)cc2)C1CC3 |THB:2:4:12.11:9.28.8.29,6:5:12.11:9.28.8.29|
Fc1ccc(CCNC2CCC(NC2)C(c2ccccc2)c2ccccc2)cc1
OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
Fc1ccc(cc1)N(CCCN1CCNCC1)c1ccc(F)cc1
Fc1ccc(cc1)N(CCCN1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)N(CCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCCc1ccccc1 |TLB:25:6:1:4.3,THB:9:7:1:4.3|
CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCc1ccccc1 |TLB:25:6:1:4.3,THB:9:7:1:4.3|
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:11:10:27:6.7,THB:2:4:27:6.7|
CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCCc1ccc(N)cc1 |TLB:25:6:1:4.3,THB:9:7:1:4.3|
CC(C)OC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:13:12:29:8.9,THB:4:6:29:8.9|
CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:12:11:28:7.8,THB:3:5:28:7.8|
COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C |THB:11:10:19:6.7,2:4:19:6.7|
Clc1cccc(OC(C2CCNCC2)c2ccccc2)c1
Fc1ccccc1OC(C1CCNCC1)c1ccccc1
CCCN(CCC)C1CCc2cccc(O)c2C1
CNCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 |r|
FC(F)(F)c1ccc(OC(C2CCNCC2)c2ccccc2)cc1
c1ccc2c(c1)C3=NCCN3[C@]2(c4ccc(cc4)Cl)O
N#Cc1cccc(OC(C2CCNCC2)c2ccccc2)c1
C1CC(CCN1)C(Oc1cccc2ccccc12)c1ccccc1
Fc1cc(F)cc(OC(C2CCNCC2)c2ccccc2)c1
[O-][N+](=O)c1ccc(OC(C2CCNCC2)c2ccccc2)cc1
Fc1cccc(c1)C(Oc1ccccc1F)C1CCNCC1
Fc1cccc(OC(C2CCNCC2)c2ccccc2)c1
Brc1ccc(OC(C2CCNCC2)c2ccccc2)cc1
CCOc1ccccc1OC(C1CNCCO1)c1ccccc1
Fc1cccc(OC(C2CCNCC2)c2cccc(F)c2)c1
Fc1ccc(OC(C2CCNCC2)c2ccccc2)cc1
O[C@H]1CN(Cc2ccc(F)cc2)CC[C@H]1CCOC(c1ccccc1)c1ccccc1
OC1CN(Cc2ccc(F)cc2)CC[C@@H]1CCOC(c1ccccc1)c1ccccc1
CCC(=O)O[C@@H]1CN(Cc2ccc(F)cc2)CC[C@H]1CCOC(c1ccccc1)c1ccccc1
O[C@@H]1CN(Cc2ccc(F)cc2)CC[C@H]1CCOC(c1ccccc1)c1ccccc1
Fc1ccc(CN2CC[C@@H](CCOC(c3ccccc3)c3ccccc3)C(=O)C2)cc1
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCOc1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCCc1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:12.13|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCNCc1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
OCCOCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:14:12:6:8.9|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCOCc1cccs1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCNC(=O)c1cccnc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCOCc1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
NCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:2:3:5.6:8.10.9,THB:11:9:5.6:3|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCOCCN1CCOCC1)c1ccc(F)cc1 |THB:8:9:16:12.13|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCC(=O)Nc1ccccc1)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9|
Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCNC(=O)c1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccc(Cl)cc1 |TLB:16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)c1cc(no1)-c1ccc(Cl)cc1 |TLB:16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1ccno1 |TLB:16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)c1cc(no1)-c1ccc(F)cc1 |TLB:16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)c1ccno1 |TLB:16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)c1cc(no1)C(C)(C)C |TLB:16:6:1:4.3,9:7:1:4.3|
CC(C)c1cc(on1)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:5:8:22:10.11,15:14:22:10.11|
COc1ccc(cc1)-c1cc(on1)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |THB:10:13:27:15.16,20:19:27:15.16|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)c1cc(no1)-c1ccc(C)cc1 |TLB:16:6:1:4.3,9:7:1:4.3|
CCc1cc(on1)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |THB:4:7:21:9.10,14:13:21:9.10|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccc(C)cc1 |TLB:16:6:1:4.3,9:7:1:4.3|
CCc1cc(on1)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:4:7:21:9.10,14:13:21:9.10|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1cc(C)no1 |TLB:16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1cc(no1)C(C)(C)C |TLB:16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)c1cc(no1)-c1ccc(F)cc1 |TLB:16:6:1:4.3,9:7:1:4.3|
COc1ccc(cc1)-c1cc(on1)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:10:13:27:15.16,20:19:27:15.16|
CC(C)c1cc(on1)C1C2CCC(CC1c1ccc(Cl)cc1)N2C |THB:5:8:22:10.11,15:14:22:10.11|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)c1cc(no1)-c1ccccc1 |TLB:16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1C(C(C2)c1ccc(C)cc1)c1cc(C)no1 |TLB:16:6:1:4.3,9:7:1:4.3|
CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccccc1)C(C2)c1ccc(C)cc1 |TLB:0:1:6.22.23:4.3,7:6:1:4.3|
CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(C2)c1ccc(C)cc1 |TLB:0:1:6.23.24:4.3,7:6:1:4.3|
CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccccc1)C(C2)c1ccc(Cl)cc1 |TLB:0:1:6.22.23:4.3,7:6:1:4.3|
CN1C2CCC1[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(C2)c1ccc(Cl)cc1 |TLB:0:1:6.24.25:4.3,7:6:1:4.3|
CN1C2CCC1[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(C2)c1ccc(C)cc1 |TLB:0:1:6.24.25:4.3,7:6:1:4.3|
CN1C2CCC1[C@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(C2)c1ccc(Cl)cc1 |TLB:0:1:6.23.24:4.3,7:6:1:4.3|
CN1C2CCC1C(CCCOC(c1ccccc1)c1ccccc1)C(C2)c1ccccc1 |TLB:7:6:1:4.3|
CN(C)C(=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN(Cc1ccccc1)C(=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](COC(=O)NC23CC4CC(CC(C4)C2)C3)C1)c1ccc(Cl)cc1 |TLB:20:11:18:15.14.16,THB:16:15:12:17.19.18,16:17:12:15.20.14,20:15:11.19.12:18|
CN1CC[C@@H]([C@H](C1)C(O)=O)c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](CC(O)=O)C1)c1ccc(Cl)cc1
COC(=O)CC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](CCCF)C1)c1ccc(Cl)cc1
COC(=O)\C=C\[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](COC(C)=O)C1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](CCC(=O)NC23CC4CC(CC(C4)C2)C3)C1)c1ccc(Cl)cc1 |TLB:14:15:19:13.12.18,THB:14:13:19:15.20.16,12:11:13.14.18:16,12:13:11.19.20:16|
CN1CC[C@@H]([C@H](C1)C(=O)OCCCCCc1ccccc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](COCC=C)C1)c1ccc(Cl)cc1
CCC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CCOC(=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CCNC(=O)OC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN(C)C(=O)C1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1)c1ccc(Cl)cc1 |THB:15:14:11:16.18.17,15:16:11:14.19.13,18:10:13:16.17.15,18:16:10.19.11:13|
CN1CC[C@@H](C(C1)C(=O)Oc1ccccc1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](COC(=O)c2ccccc2)C1)c1ccc(Cl)cc1
CN1CC[C@@H](C(C1)C(=O)N1CCCC1)c1ccc(Cl)cc1
CNC(=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
CN1CC[C@@H]([C@H](C1)C(=O)OC(C)(C)C)c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](Cc2noc(n2)-c2ccc3OCOc3c2)C1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](CCC(=O)Nc2ccccc2)C1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](CCC(O)=O)C1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](COC(=O)Nc2ccccc2)C1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](CCCO)C1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](CC(=O)NCc2ccccc2)C1)c1ccc(Cl)cc1
CN1CC[C@@H]([C@@H](CC(=O)OCCCc2ccccc2)C1)c1ccc(Cl)cc1
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(Cl)s1)N2C |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7,11:10:23:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccsc1)N2C |TLB:23:22:4.10.9:6.7,THB:2:4:22:6.7,11:10:22:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccs1)N2 |THB:2:4:22:6.7,11:10:22:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(I)s1)N2C |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7,11:10:23:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccs1)N2C |TLB:23:22:4.10.9:6.7,THB:2:4:22:6.7,11:10:22:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(Br)s1)N2C |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7,11:10:23:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cscc1Br)N2C |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7,11:10:23:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccc(N)s1)N2C |TLB:24:23:4.10.9:6.7,THB:2:4:23:6.7,11:10:23:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccsc1)N2 |THB:2:4:22:6.7,11:10:22:6.7|
COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cc(c(s1)[N+]([O-])=O)[N+]([O-])=O)N2C |TLB:29:28:4.10.9:6.7,THB:2:4:28:6.7,11:10:28:6.7|
Fc1ccc(cc1)N1CCN2CC1CCC2C(c1ccccc1)c1ccccc1 |TLB:4:7:11:15.14.13,THB:16:15:11:7.8.9|
COc1ccc(cc1)N1CCN2CC1CCC2C(c1ccccc1)c1ccccc1 |TLB:5:8:12:16.15.14,THB:17:16:12:8.9.10|
CN(Cc1ccc(F)cc1)C1CCC(C(c2ccccc2)c2ccccc2)N(C)C1
C1CC(C(c2ccccc2)c2ccccc2)N2CCN(C1C2)c1cccc2ccccc12 |THB:22:19:21:2.1.0,3:2:21:19.18.17|
CN1CCN2CC1CCC2C(c1ccccc1)c1ccccc1 |TLB:0:1:5:9.8.7,THB:10:9:5:1.3.2|
Nc1ccc(cc1)N1CCN2CC1CCC2C(c1ccccc1)c1ccccc1 |TLB:4:7:11:15.14.13,THB:16:15:11:7.8.9|
Oc1ccc(cc1)N1CCN2CC1CCC2C(c1ccccc1)c1ccccc1 |TLB:4:7:11:15.14.13,THB:16:15:11:7.8.9|
N#Cc1ccc(cc1)N1CCN2CC1CCC2C(c1ccccc1)c1ccccc1 |TLB:5:8:12:16.15.14,THB:17:16:12:8.9.10|
Fc1ccc(CNC2CCC(C(c3ccccc3)c3ccccc3)N(Cc3ccc(F)cc3)C2)cc1
C1CC(C(c2ccccc2)c2ccccc2)N2CCN(C1C2)c1ccc2ccccc2c1 |THB:22:19:21:2.1.0,3:2:21:19.18.17|
N#Cc1ccc(CNC2CCC(NC2)C(c2ccccc2)c2ccccc2)cc1
CCOc1ccc(cc1)N1CCN2CC1CCC2C(c1ccccc1)c1ccccc1 |TLB:6:9:13:17.16.15,THB:18:17:13:9.10.11|
COc1ccc(CNC2CCC(NC2)C(c2ccccc2)c2ccccc2)cc1
Clc1ccc(cc1Cl)N1CCN2CC1CCC2C(c1ccccc1)c1ccccc1 |TLB:4:8:12:16.15.14,THB:17:16:12:8.9.10|
Fc1ccc(CCN2CCN3CC2CCC3C(c2ccccc2)c2ccccc2)cc1 |TLB:6:7:11:15.14.13,THB:16:15:11:7.9.8|
Clc1ccc(cc1)S(=O)(=O)Nc1ccc(CN2CCN3CC2CCC3C(c2ccccc2)c2ccccc2)cc1 |TLB:15:16:20:24.23.22,THB:25:24:20:16.18.17|
CN(C)C(=O)CS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1
CN1CCC(C(CSCCOC(=O)c2ccccc2)C1)c1ccc(Cl)cc1
CN1CCC(C(CSCCOC(C)=O)C1)c1ccc(Cl)cc1
NC(=O)CS(=O)CC1CNCCC1c1ccc(Cl)cc1
CN1CCC(C(CSCCO)C1)c1ccc(Cl)cc1
COCCS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1
CN1CCC(C(CO)C1)c1ccc(Cl)cc1
CC(C)NC(=O)CSCC1CN(C)CCC1c1ccc(Cl)cc1
CNC(=O)CSCC1CN(C)CCC1c1ccc(Cl)cc1
CNC(=O)CS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1
CN1CCC(C(CS(=O)Cc2nc(C)no2)C1)c1ccc(Cl)cc1
CN1CCC(C(CSCC(=O)NO)C1)c1ccc(Cl)cc1
CN1CCC(C(CS(=O)CC(=O)NO)C1)c1ccc(Cl)cc1
CN1CCC(C(CI)C1)c1ccc(Cl)cc1
CN1CCC(C(CS(=O)CCOC(C)=O)C1)c1ccc(Cl)cc1
COC(=O)CSCC1CN(C)CCC1c1ccc(Cl)cc1
CN1CCC(C(CSCC(N)=O)C1)c1ccc(Cl)cc1
CN1CCC(C(CS(=O)CCO)C1)c1ccc(Cl)cc1
CN1CCC(C(CSCC(=O)N2CCCCC2)C1)c1ccc(Cl)cc1
CN1CCC(C(CS(=O)CC(N)=O)C1)c1ccc(Cl)cc1
NC(=O)CSCC1CNCCC1c1ccc(Cl)cc1
CN1CCC(C(CS(=O)CC(=O)N2CCCCC2)C1)c1ccc(Cl)cc1
CC(C)NC(=O)CS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1
COC(=O)CSCC1CNCCC1c1ccc(Cl)cc1
CN(C)C(=O)CSCC1CN(C)CCC1c1ccc(Cl)cc1
CN1CCC(C(CS(=O)CCOC(=O)c2ccccc2)C1)c1ccc(Cl)cc1
CN1CCC(C(CSCc2nc(C)no2)C1)c1ccc(Cl)cc1
COC(=O)CS(=O)CC1CN(C)CCC1c1ccc(Cl)cc1
COCCSCC1CN(C)CCC1c1ccc(Cl)cc1
COC(=O)C1C2CCC(CC1c1ccc(C)c(F)c1)N2 |THB:2:4:19:6.7|
COC(=O)C1C2CCC(CC1c1ccc(C)c(F)c1)N2C |TLB:20:19:4.10.9:6.7,THB:2:4:19:6.7|
COC(=O)C1C2CCC(CC1c1ccc(F)c(C)c1)N2C |TLB:20:19:4.10.9:6.7,THB:2:4:19:6.7|
COC(=O)C1C2CCC(CC1c1ccc(F)c(C)c1)N2 |THB:2:4:19:6.7|
COC(=O)C1C2CCC(CC1c1cc(F)cc(F)c1)N2 |THB:2:4:19:6.7|
COC(=O)C1C2CCC(CC1c1cccc(F)c1)N2 |THB:2:4:18:6.7|
COC(=O)C1C2CCC(CC1c1ccc(F)c(F)c1)N2 |THB:2:4:19:6.7|
CCOC(=O)C1(CCN(C)CC1)c1ccc(Cl)cc1
CN1CCC(CC1)(C#N)c1ccc(F)cc1
CNCCCC1c2ccccc2C=Cc2ccccc12 |c:13|
CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CC=C |TLB:12:11:28:8.7,THB:3:5:28:8.7|
CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2 |TLB:12:11:28:8.7,THB:3:5:28:8.7|
COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N2C |TLB:11:10:27:7.6,THB:2:4:27:7.6|
COC(=O)\C=C\[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:13:12:29:9.8,THB:5:6:29:9.8|
CCCCN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCC |TLB:28:9:4:6.7,THB:12:10:4:6.7|
CN1C2CCC1[C@@H](C=C)[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:7:6:1:3.4,THB:11:9:1:3.4|
COC(=O)CC[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:13:12:29:9.8,THB:5:6:29:9.8|
CN1C2CCC1[C@@H](CO)[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:7:6:1:3.4,THB:11:9:1:3.4|
CN1C2CCC1[C@@H](COC(=O)CCCc1ccc(cc1)[N+]([O-])=O)[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:7:6:1:3.4,THB:25:23:1:3.4|
CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N2C |TLB:12:11:28:8.7,THB:3:5:28:8.7|
CN1C2CCC1[C@@H](COC(=O)CCCc1ccc(N)cc1)[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:7:6:1:3.4,THB:23:21:1:3.4|
CC(C)N1CCC(CC1)C(CN1CCN(CCCc2ccccc2-c2ccccc2)CC1)c1ccc(F)cc1 |w:9.10|
CC(C)N1CCC(CC1)C(CN1CCN(CCCc2ccccc2-c2cccc(F)c2)CC1)c1ccc(F)cc1 |w:9.10|
CC(C)N1CCC(CC1)C(CN1CCN(CCCc2cccc(F)c2-c2ccccc2)CC1)c1ccc(F)cc1 |w:9.10|
CC(C)N1CCC(CC1)C(CN1CCN(CCCc2c(F)cccc2-c2ccccc2)CC1)c1ccc(F)cc1 |w:9.10|
CC(C)N1CCC(CC1)C(CN1CCN(CCCc2ccccc2-c2ccc(F)cc2)CC1)c1ccc(F)cc1 |w:9.10|
COc1ccc2ccccc2c1CCCCN1CCN(CC(C2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1 |w:21.22|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |c:30|
Clc1ccc(cc1Cl)[C@@H]1CCCN2CCCC[C@H]12
O[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1
O=C1CCN2CCCC[C@@H]2[C@H]1c1ccccc1
C[C@@H]1C[C@@H]([C@H]2CCCCN2C1)c1ccccc1
C[C@H]1C[C@@H]([C@H]2CCCCN2C1)c1ccccc1
CO[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1 |r|
CC[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1
CC[C@@]1(O)CCN2CCCC[C@@H]2[C@H]1c1ccccc1
COC(=O)[C@@H]([C@H]1CCCC[NH2+]1)c1ccccc1
CC[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1
Clc1ccc(cc1Cl)[C@H]1CCCN2CCCC[C@H]12
C1CNCC(C1)c1ccccc1 |w:4.6|
CC[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1
O[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1
CC[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1
O[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1
Clc1ccc(cc1Cl)[C@@H]1[C@H]2CCCCN2CCC1=O
C1CCN2CCC[C@@H]([C@H]2C1)c1ccccc1
CO[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1
Clc1ccccc1[C@H]1CCCN2CCCC[C@H]12
O[C@@H](CCN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccc(F)cc1
O[C@H](CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccccc1
O[C@@H](CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)Cc1ccccc1
O[C@@H](CN[C@H]1CC[C@H](NC1)C(c1ccccc1)c1ccccc1)c1ccc(F)cc1
O[C@H](CCN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccc(F)cc1
O[C@H](CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccc(F)cc1
O[C@@H](CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccc(F)cc1
O[C@@H](CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)c1ccccc1
O[C@H](CN1CCN2C[C@@H]1CC[C@H]2C(c1ccccc1)c1ccccc1)Cc1ccccc1
O[C@H](CN[C@H]1CC[C@H](NC1)C(c1ccccc1)c1ccccc1)Cc1ccccc1
O[C@@H](CN[C@H]1CC[C@H](NC1)C(c1ccccc1)c1ccccc1)Cc1ccccc1
O[C@H](CN[C@H]1CC[C@H](NC1)C(c1ccccc1)c1ccc(F)cc1)c1ccc(F)cc1 |w:10.18|
CCOc1ccccc1O[C@@H](c2ccccc2)[C@@H]3CNCCO3
Clc1ccc(s1)[C@]12C[C@H]1CNC2 |r|
O=C1NCC2CC12c1cccs1
CN1CC2CC2(C1)c1cccs1
C[C@H]1NC[C@@H]2C[C@]12c1cccs1 |r|
C[C@@H]1NC[C@]2(C[C@@H]12)c1cccs1 |r|
C[C@H]1NC[C@]2(C[C@@H]12)c1cccs1 |r|
C1[C@@H]2CNC[C@]12c1cccs1 |r|
C1[C@H]2CNC[C@@]12c1cccs1 |r|
C1C2CNCC12c1cccs1
C1C2CNCC12c1csc2ccccc12
C1C2CNCC12c1cc2ccccc2s1
C1C2CNCC12c1cc2ccccc2o1
C1C2CNCC12c1ccc2ncccc2c1
C1C2CNCC12c1ccc2ccccc2c1
C1C2CNCC12c1ccc(cc1)-c1ccccc1
C1C2CNCC12c1ccc2OCOc2c1
Clc1ccc(cc1Cl)[C@@]12CNC[C@@H]1[C@H]2c1ccccc1 |r|
C[C@@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1 |r|
C[C@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1 |r|
Clc1ccc(cc1Cl)[C@]12C[C@@H]1CNC2 |r|
Clc1ccc(cc1Cl)[C@]12C[C@H]1CNC2 |r|
Clc1ccc(cc1Cl)C12CC1CNC2
C1NC[C@@]2([C@H]1[C@H]2c1ccccc1)c1ccccc1 |r|
CC1(C)C2CNCC12c1ccccc1
FC12CC1(CNC2)c1ccccc1
C1C2CNCC12c1ccccc1
Fc1ccc2sc(cc2c1)[C@@]12C[C@@H]1CNC2 |r|
Fc1ccc(s1)[C@@]12C[C@@H]1CNC2 |r|
C1[C@H]2CNC[C@@]12c1ccc2CCCc2c1 |r|
C1[C@H]2CNC[C@@]12c1ccc2OCCc2c1 |r|
C1[C@H]2CNC[C@@]12c1ccsc1 |r|
Brc1ccc(s1)[C@]12C[C@H]1CNC2 |r|
FC(F)(F)c1ccc(s1)C12CC1CNC2
Cc1csc(c1)C12CC1CNC2
Clc1cc(Cl)c(s1)C12CC1CNC2
Brc1ccc(s1)C12CC1CNC2
Clc1ccc(s1)[C@@]12C[C@@H]1CNC2 |r|
Clc1ccc(s1)C12CC1CNC2
CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1 |r|
CNCC[C@@H](c1cccs1)c1cccc2ccccc12 |r|
CNCC[C@H](c1cccs1)c1cccc2ccccc12 |r|
CNCCC[C@@H](c1cccs1)c1cccc2ccccc12 |r|
CNCCC[C@H](c1cccs1)c1cccc2ccccc12 |r|
CNCC[C@@H](c1cccs1)c1cccc2[nH]ccc12 |r|
CNCC[C@H](c1cccs1)c1cccc2[nH]ccc12 |r|
CNCCC[C@@H](c1cccs1)c1cccc2[nH]ccc12 |r|
CNCCC[C@H](c1cccs1)c1cccc2[nH]ccc12 |r|
CNCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 |r|
CNCC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 |r|
CNCCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 |r|
CNCCC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12 |r|
CNCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc12 |r|
CNCC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc12 |r|
CNCCC[C@@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc12 |r|
CNCCC[C@H](c1ccc(Cl)c(Cl)c1)c1cccc2[nH]ccc12 |r|
Fc1ccc(cc1)N(CCCN1CCN(C[C@H](Cc2ccccc2)OC(=O)C=C)CC1)c1ccc(F)cc1 |r|
Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1cccc(F)c1
Fc1ccc(cc1)N(CCCN1CCN(C[C@H](Cc2ccccc2)OC(=O)Cc2ccccc2)CC1)c1ccc(F)cc1 |r|
CCCC(=O)O[C@H](CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
CCC(=O)O[C@H](CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
CC(=O)O[C@H](CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
O[C@@H](CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
O[C@H](CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
Fc1ccc(cc1)N(CCCN1CCN(CCC(OC(=O)CCCc2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)N(CCCN1CCN(CCC(OC(=O)CCc2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)N(CCCN1CCN(CCC(OC(=O)Cc2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)N(CCCN1CCN(CCC(OC(=O)C=C)c2ccccc2)CC1)c1ccc(F)cc1
CC(C)C(=O)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
CCC(=O)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
CC(=O)OC(CCN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
NC[C@@H]1C[C@@]1(C(=O)N1Cc2ccccc2C1)c1cccs1 |r|
CCN(CC)C(=O)[C@@]1(C[C@H]1CN)c1ccccc1 |r|
CCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1cccs1 |r|
NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC=C)c1cccs1 |r|
CCN(CC#C)C(=O)[C@]1(C[C@H]1CN)c1cccs1 |r|
CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1 |r|
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Clc1ccc(COC2(CC3CCC(C2)N3)c2ccccc2)cc1Cl |TLB:6:7:14:10.11,THB:15:7:14:10.11|
Clc1ccc(cc1)C1(CC2CCC(C1)N2)OCc1ccccc1 |TLB:15:7:14:10.11,THB:4:7:14:10.11|
Clc1ccc(COC2(CC3CCC(C2)N3)c2ccc(Cl)cc2)cc1 |TLB:6:7:14:10.11,THB:15:7:14:10.11|
Clc1ccc(COC2(CC3CCC(C2)N3)c2ccc(Cl)c(Cl)c2)cc1 |TLB:6:7:14:10.11,THB:15:7:14:10.11|
FC(F)(F)c1ccc(cc1)C1(CC2CCC(C1)N2)OCc1ccccc1 |TLB:18:10:17:13.14,THB:7:10:17:13.14|
Clc1ccc(cc1Cl)C1(CC2CCC(C1)N2)OCc1ccccc1 |TLB:16:8:15:11.12,THB:4:8:15:11.12|
Clc1ccc(COC2(CC3CCC(C2)N3)c2ccc(Cl)c(Cl)c2)cc1Cl |TLB:6:7:14:10.11,THB:15:7:14:10.11|
C1CC2NC1CC(=C2)c1ccccc1 |c:7,TLB:8:6:3:0.1|
Fc1ccc(cc1)C1=CC2CCC(C1)N2 |t:8,TLB:4:7:14:11.10|
Clc1ccc(cc1)C1=CC2CCC(C1)N2 |t:8,TLB:4:7:14:11.10|
FC(F)(F)c1ccc(cc1)C1=CC2CCC(C1)N2 |t:11,TLB:7:10:17:14.13|
Clc1ccc(cc1Cl)C1=CC2CCC(C1)N2 |t:9,TLB:4:8:15:12.11|
Clc1ccc(COC2(CC3CCC(C2)N3)c2ccccc2)cc1 |TLB:6:7:14:10.11,THB:15:7:14:10.11|
COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r|
CN(C)CCS(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
NC(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1
CN(C)C(=O)CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
CN(C)C(=O)CSC(c1ccc(Br)cc1)c1ccc(Br)cc1
NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
CN1C[C@@H](c2ccc(F)cc2)c2ccc(C)cc2C1 |r|
Nc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |r|
Fc1ccc(cc1)C([C@@H]1CC[C@@H](CO1)NCc1ccc2OCCc2c1)c1ccc(F)cc1 |r|
O[C@@H]1C[C@H](OC[C@H]1NCc1ccc(O)cc1)C(c1ccc(F)cc1)c1ccc(F)cc1 |r|
C(Cc1ccccc1)N[C@H]1CO[C@@H](C1)C(c1ccccc1)c1ccccc1 |r|
Oc1ccc(CN[C@H]2CO[C@@H](C2)C(c2ccccc2)c2ccccc2)cc1 |r|
C(Cc1ccccc1)N[C@@H]1CO[C@@H](C1)C(c1ccccc1)c1ccccc1 |r|
Fc1ccc(CCN[C@@H]2CO[C@@H](C2)C(c2ccccc2)c2ccccc2)cc1 |r|
COc1ccc(CCN[C@@H]2CO[C@@H](C2)C(c2ccccc2)c2ccccc2)cc1 |r|
Oc1ccc(CCN[C@@H]2CO[C@@H](C2)C(c2ccccc2)c2ccccc2)cc1 |r|
Oc1ccc(CN[C@@H]2CO[C@@H](C2)C(c2ccccc2)c2ccccc2)cc1 |r|
Oc1ccc(CN[C@H]2CC[C@@H](Cc3ccccc3)OC2)cc1 |r|
Oc1ccc(CN[C@H]2CC[C@@H](CCC(c3ccccc3)c3ccccc3)OC2)cc1 |r|
Oc1ccc(CN[C@H]2CC[C@@H](CC(c3ccccc3)c3ccccc3)OC2)cc1 |r|
C1CC2(CCN1)OC(c1ccccc21)c1ccccc1
C[C@@H](Cc1ccccc1)N
[H][C@@]12CCCC[C@@]1([H])CC(C(N)C2)c1ccccc1 |r|
CC(N)Cc1ccc2ccccc2c1
NCCc1c[nH]c2ccccc12
CNCCc1c[nH]c2c1cccc2
Cn1cc(c2c1cccc2)CCN
NCCc1c[nH]c2cccc(F)c12
COc1cccc2[nH]cc(CCN)c12
Cc1ccc2c(c1)c(c[nH]2)CCN
c1cc2c(cc1Cl)c(c[nH]2)CCN
NCCc1c[nH]c2ccc(Br)cc12
c1cc2c(cc1F)c(c[nH]2)CCN
COc1ccc2c(c1)c(c[nH]2)CCN
NCCc1c[nH]c2cc(F)ccc12
COc1ccc2c(c1)[nH]cc2CCN
Cc1ccc2c(CCN)c[nH]c2c1
Cc1cccc2c(CCN)c[nH]c12
NCCc1c[nH]c2c(Cl)cccc12
COc1cccc2c(CCN)c[nH]c12
CC(N)Cc1c[nH]c2ccccc12
CC(N)Cc1c[nH]c2ccc(Cl)cc12
CC(N)Cc1c[nH]c2ccc(F)cc12
CCC(N)Cc1c[nH]c2ccccc12
CC[C@H](N)Cc1c[nH]c2ccccc12 |r|
CC[C@@H](N)Cc1c[nH]c2ccccc12 |r|
CCC(N)Cc1c[nH]c2ccc(Cl)cc12
CCC(N)Cc1c[nH]c2ccc(F)cc12
CCNCCc1c[nH]c2ccccc12
O[C@@H]1C[C@H](OC[C@H]1NCc1cc(O)cc(O)c1)C(c1ccccc1)c1ccccc1 |r|
COc1cccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)c1 |r|
COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cn1 |r|
C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc2occc2c1 |r|
COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cc1F |r|
COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)c(F)c1 |r|
O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2occc2c1)C(c1ccc(F)cc1)c1ccc(F)cc1 |r|
COc1cc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccc(F)cc2)c2ccc(F)cc2)ccc1O |r|
O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2occc2c1)C(c1ccccc1)c1ccccc1 |r|
COc1cc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)ccc1O |r|
O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2OCCc2c1)C(c1ccc(F)cc1)c1ccc(F)cc1 |r|
COc1cc(O)cc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccc(F)cc2)c2ccc(F)cc2)c1 |r|
O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2OCOc2c1)C(c1ccc(F)cc1)c1ccc(F)cc1 |r|
COc1cccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccc(F)cc2)c2ccc(F)cc2)c1 |r|
COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccc(F)cc2)c2ccc(F)cc2)cn1 |r|
O[C@@H]1C[C@H](OC[C@H]1NCc1ccc(O)c(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1 |r|
Oc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |r|
COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cc1O |r|
COc1cc(O)cc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)c1 |r|