133 SMILES Strings for Norepinephrine transporter
Compound Name
SMILES String
C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
C(CN1CCN(C\C=C\c2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
C(Cc1c[nH]c2ccccc12)C1CCNCC1
C(N1CCN(CC1)c1ncccn1)c1ccc2OCOc2c1
C1CN=C(N1)[NH2+]c1cccc2CCCCc12 |c:2|
CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
CC(C)(N)Cc1ccc(Cl)cc1
CC(C)(N)Cc1ccccc1
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|
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(N)Cc1ccc2OCOc2c1
CC(N)Cc1cccc(c1)C(F)(F)F
CC(N)Cc1ccccc1
CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
CC(O)c1nn(CCCN2CCN(CC2)c2ccc(Cl)cc2)c(=O)n1CCOc1ccccc1
CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1
CCC(=O)O[C@@](Cc1ccccc1)([C@H](C)CN(C)C)c1ccccc1
CCC(OC(C)=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1
CCNC(C)Cc1cccc(c1)C(F)(F)F
CCOc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r|
CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
CCn1cc(C(O)=O)c(=O)c2ccc(Cc3ccccc3)nc12
CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
CN(C)CCC=C1c2ccccc2CSc2ccccc12 |w:5.4|
CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12
CN(C)CCCN1c2ccccc2CCc2ccccc12
CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc12 |t:6|
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)C\C=C(\c1ccc(Br)cc1)c1cccnc1
CN(CCCN1c2ccccc2CCc2ccccc12)CC(=O)c1ccc(Cl)cc1
CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
CN1CC(c2ccccc2)c2cccc(N)c2C1
CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc21
CN1CCC([C@@H](C1)C(O)=O)c1ccc(Cl)cc1 |r|
CN1CCC([C@H](C1)C(O)=O)c1ccc(Cl)cc1 |r|
CN1CCC23CCCCC2C1Cc1ccc(O)cc31 |TLB:0:1:9:18.12.11,THB:17:18:9:1.3.2|
CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|
CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
CN1CCN2C(C1)c1ccccc1Cc1cccnc21
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
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|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)C(=O)Oc1ccccc1 |TLB:9:7:1:4.3,THB:16:6:1:4.3|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)Oc1ccccc1 |TLB:9:7:1:4.3,THB:16:6:1:4.3|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)C(O)=O |TLB:9:7:1:4.3,THB:0:1:7.6.8:4.3,16:6:1:4.3|
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(I)cc1)C(=O)N1CCCC1 |r,TLB:0:1:7.8.6:3.4|
CNC(C)Cc1ccc2OCOc2c1
CNC(C)Cc1ccccc1
CNC1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
CNCC(O)c1ccc(O)c(O)c1
CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
CNCCC(Oc1ccccc1C)c1ccccc1
CNCCC(Oc1ccccc1OC)c1ccccc1
CNCCCC1(SC(C)(C)c2ccccc12)c1ccccc1
CNCCCN1c2ccccc2CCc2ccccc12
CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1 |r|
CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|
CNC\C=C(\c1ccc(Br)cc1)c1cccnc1
CN[C@@H](C)Cc1ccc2OCOc2c1 |r|
CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
CN[C@@H]1CC[C@@H](c2ccccc2)c2ccccc12
CN[C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
CN[C@H](C)Cc1ccc2OCOc2c1 |r|
CN[C@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
CN[C@H]1C[C@@H](c2ccccc12)c1ccc(Cl)c(Cl)c1 |r|
CNc1cc(OC)c(cc1Cl)C(=O)NCCN(C)Cc1ccc(I)cc1
COC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C |TLB:2:4:20:7.6,11:10:20:7.6|
COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(C)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7|
COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(N)cc1)N2C |TLB:19:18:4.10.9:6.7|
COC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1
COC(=O)[C@@H]1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2C\C=C\I |THB:11:10:19:6.7,2:4:19:6.7|
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|
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Br)cc1)N2C |TLB:2:4:18:6.7,THB:11:10:18:6.7|
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2C |r,TLB:20:19:6.7:4.10.9|
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2 |TLB:2:4:18:6.7,THB:11:10:18:6.7|
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:2:4:18:6.7,THB:11:10:18:6.7|
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccccc1)N2C |TLB:18:17:6.7:10.9.4|
COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1
COCCCCC(=NOCCN)c1ccc(Cl)cc1 |w:7.7|
COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F
COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
CO[C@@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |THB:8:7:25.24:4.3|
COc1ccc(OC[C@H]2CN(C)CC[C@@H]2c2ccccc2)cc1
COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1
COc1ccc2CC(CN(C)C)(c2c1)C1(O)CCCCC1
COc1ccc2CC3C4C=CC(O)C5Oc1c2C45CCN3C |c:9,THB:9:8:20.19.18:6.5.16|
COc1ccc2CC3C4C=CC(O[Si](C)(C)C)C5Oc1c2C45CCN3C |c:9,THB:9:8:24.23.22:6.5.20|
COc1ccc2CC3C4CCCCC4(CCN3C)c2c1 |TLB:19:18:8:16.14.15,17:16:8:18.5.6|
COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CCC35O |TLB:20:21:16.5.6:8.11.10,THB:22:21:16.5.6:8.11.10|
COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1
CSc1ccc(cc1)C1CN2CCCC2c2ccccc12
CSc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
CSc1ccc(cc1)[C@H]1CN2CCCC2c2ccccc12 |r|
CSc1ccc(cc1)[C@H]1CN2CCC[C@H]2c2ccccc12 |r|
C[C@@H](N)Cc1ccc2OCOc2c1 |r|
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
C[C@H](N)Cc1ccc2OCOc2c1 |r|
C[NH2+][C@@H](C)[C@H](O)c1ccccc1
C[n+]1ccc(cc1)-c1ccccc1
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Clc1cccc(c1)N1CCN(CCCn2[nH]c(=O)n(CCOc3ccccc3)c2=O)CC1
Clc1cccc(c1)N1CCN(CCCn2nc3ccccn3c2=O)CC1
Clc1cccc(c1)N1CCNCC1
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1
NC1=NCC(O1)c1ccccc1 |t:1|
NCC(O)c1ccc(O)c(O)c1
NCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 |r|
NCCc1c[nH]c2ccc(O)cc12
NCCc1ccc(O)c(O)c1
NCCc1ccc(O)cc1
N[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:5|
OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|
Oc1cc2CC[C@H]3NCc4ccccc4[C@H]3c2cc1O
Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC=C)c2c1 |TLB:8:7:19.4.5:15.13.14|
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
[#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
[#6]-[#7]-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2|
[H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2C |TLB:16:6:20:3.2|
[H][C@]12CN(C)CCN1c1ccccc1Cc1ccccc21 |r|