556 SMILES Strings for Neuronal acetylcholine receptor subunit alpha-4

Compound Name
SMILES String
CC(=O)OCC[N+](C)(C)C
C1CCC(NC1)c1cccnc1
CC(=O)C1=CCCC2CCC1N2 |t:3,THB:1:3:11:9.8|
C[C@@H]1C[C@@H]2O[C@@H]3C[C@@H]4OC(=O)C=C(C)[C@H]4O[C@@]3(C)C[C@H]2O[C@H]2CC[C@@]3(C)O[C@@]4(C)C[C@H]5O[C@H]6C[C@H]7O[C@@]8(C)[C@@H](O)C[C@H](CC(=C)C=O)O[C@@H]8C[C@@H]7O[C@@H]6\C=C/C[C@]5(C)O[C@@H]4C[C@@H]3O[C@H]12 |c:59,t:11|
C[N+](C)(C)CCOC(=O)N
C[N+](C)(C)CC[N+]1(C)Cc2c(C1)c(Cl)c(Cl)c(Cl)c2Cl
O=c1cccc2[C@H]3CNC[C@@H](C3)Cn12
C[N@]1CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5O)OC)CC[N+]([C@H]6Cc7ccc(c(c7)O3)O)(C)C)OC
C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
CO[C@@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@@]23C1 |t:4,11|
C[N+]1(C)CCN(CC1)c1ccccc1
c1cc(ncc1[C@H]2C[C@@H]3CC[C@H]2N3)Cl
C[N@@]1[C@H](CCC[C@H]1CC(=O)c2ccccc2)C[C@H](c3ccccc3)O
CNC1(C)C2CCC(C2)C1(C)C |TLB:3:2:8:5.6,THB:1:2:8:5.6|
CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)[C@@]34C5C[C@H]6[C@H](OC)C5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)C23)C14 |wU:4.4,42.46,36.39,44.48,39.43,wD:28.55,32.34,25.27,31.32,TLB:28:29:32:36.38.39,1:2:47:25.23.24,25:28:42.44:4.2.3,THB:42:48:47:25.23.24,29:28:42.44:4.2.3,2:48:36.35.29:47.44,(3.83,-6.7,;5.61,-4.92,;8.1,-4.92,;7.12,-7.5,;8.22,-6.42,;8.22,-7.94,;7.82,-9.45,;8.61,-10.78,;9.94,-10.01,;8.62,-12.33,;7.29,-13.1,;7.29,-14.64,;8.62,-15.41,;9.95,-14.64,;9.95,-13.1,;11.49,-13.09,;12.9,-13.7,;13.3,-15.19,;13.93,-12.55,;13.14,-11.22,;13.91,-9.88,;11.64,-11.55,;10.86,-10.2,;6.88,-5.65,;6.87,-4.11,;8.21,-3.34,;8.2,-1.8,;6.87,-1.03,;9.54,-4.11,;10.5,-3.18,;10.3,-1.71,;11.64,-1.06,;12.67,-2.15,;14.21,-2.15,;14.96,-3.46,;11.97,-3.45,;12.65,-4.9,;13.98,-5.67,;16.6,-3.1,;16.6,-1.56,;17.69,-.47,;19.02,-1.24,;11.93,-6.28,;12.7,-7.59,;10.46,-6.53,;10.06,-8.01,;11.39,-8.78,;9.55,-5.63,;9.53,-2.57,)|
C[N@@]1CCC[C@H]1c2cccnc2
C(Oc1cccnc1)[C@@H]1CCN1 |r|
c1cc(ncc1OC[C@@H]2CCN2)Cl
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
C[N+](C)(C)CCOC(=O)CCCCCCC(=O)OCC[N+](C)(C)C
CN1CCC[C@H]1c1cc(C)no1 |r|
C[N+](C)(C)CCCCCC[N+](C)(C)C
COC(=O)Nc1ccc(Cl)c(Cl)c1
COc1cc(CC(C)N)cc(OC)c1OC
Ic1cncc(OC[C@@H]2CCN2)c1
Ic1ccc(cn1)C1CC2CCC1N2 |THB:4:7:13:11.10|
Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
Clc1ccc(cn1)[C@H]1CC2CCC1N2 |THB:4:7:13:11.10|
Brc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13|
CN(C)c1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:6:9:12.13:15|
C1CC2NC1C[C@@H]2c1cccnc1 |r,TLB:7:6:0.1:3|
Fc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13|
Nc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13|
O=c1ccc(c[nH]1)[C@H]1CC2CCC1N2 |THB:4:7:13:11.10|
FC(F)(F)S(=O)(=O)Oc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:11:14:17.18:20|
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
NC(CSSCC(N)C(O)=O)C(O)=O
N[C@H](CCS(O)(=O)=O)C(O)=O |r|
N[C@H](CCS(O)=O)C(O)=O |r|
N[C@@H]1CCSC1=O |r|
CSCC[C@H](C(=O)O)N
C(CS)[C@@H](C(=O)O)N
C([C@H](C(=O)O)N)S(=O)(=O)O
C([C@@H](C(=O)O)N)S
NC(CS(O)=O)C(O)=O
C(CS(=O)(=O)O)[C@@H](C(=O)O)N
N[C@@H](CCS(O)=O)C(O)=O |r|
N[C@H]1CCSC1=O |r|
C1C[C@@]23CN1CC[C@@H]2Oc1cccnc1C3
C[C@H](CCOC(=O)N(C)C)N(C)C
O=c1cccc2C3CNCC(C3)Cn12 |THB:4:5:11:9.8.7|
CC(=O)SCC[N+](C)(C)C
OCC=C1C[N+]2(CC=C)CCC34C2CC1C1=CN2C5C(=CN(C31)c1ccccc41)C1CC3C5(CC[N+]3(CC=C)CC1=CCO)c1ccccc21 |w:2.1,16.18,20.22,41.50,TLB:41:40:30:18.19.32,20:19:30:35.39.40,10:11:13:5.3.4,2:3:13:11.15.22,28:11:13:5.3.4,THB:34:35:30:18.19.32,16:15:13:5.3.4,6:5:13:11.15.22,33:32:30:35.39.40,9:5:13:11.15.22,36:35:30:18.19.32,44:32:30:35.39.40|
C[N+](C)(C)CCO
CO[C@H]1CC=C2CCN3[C@]2(C1)C4=C(CC3)COC(=O)C4
CNC(=O)Oc1ccc2N(C)C3N(C)CCC3(C)c2c1
CCN1CC2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CCC(OC)C34C5CC6C(OC)C5C(O)(CC6OC)C(O)(C(OC)C23)C14 |TLB:1:2:28:44.42,1:2:23.24.25:47,4:47:48:36.29.35,23:4:28:44.42,25:28:2.3.4:44.42,38:36:47.44:48,37:36:47.44:48,45:44:2.3.4:28,43:42:2.3.4:28,THB:2:48:47.44:36.29.35,42:48:23.24.25:47,36:42:2.3.4:28,30:29:47.44:48,29:28:2.3.4:44.42,33:32:36.38.39:30.29,45:44:48:36.29.35,26:25:47:2.3.48,5:4:28:44.42,(5.58,4.18,;4.03,3.67,;2.52,2.79,;2.59,.56,;1.98,-.55,;1.93,-2.19,;2.56,-3.67,;4.07,-4.23,;5.58,-3.65,;4.27,-5.76,;3.07,-6.74,;3.32,-8.26,;4.76,-8.8,;5.95,-7.83,;5.71,-6.31,;6.9,-5.33,;8.39,-5.72,;9.3,-7.02,;9.22,-4.43,;8.24,-3.24,;8.64,-1.75,;6.81,-3.79,;5.89,-2.31,;3.31,.22,;3.31,1.76,;1.98,2.53,;2.34,4.26,;2.78,5.82,;.65,1.76,;-.46,2.76,;-.27,4.29,;-1.66,4.95,;-2.72,3.83,;-4.4,3.79,;-6.02,3.54,;-1.98,2.48,;-2.7,1.12,;-3.96,.07,;-4.18,1.83,;-4.04,4.66,;-5.38,5.7,;-5.73,7.25,;-2.08,-.3,;-2.98,-1.63,;-.59,-.69,;-1.08,-2.25,;-1.69,-3.73,;.65,.22,;.65,2.85,)|
CC(=O)OC1C(CC2C3CCC4CC(OC(C)=O)C(CC4(C)C3CCC12C)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1
C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C
CC(=O)OC1C(CC2C3CCC4CC(OC(C)=O)C(CC4(C)C3CCC12C)N1CCCCC1)[N+]1(C)CCCCC1
C(Oc1cccnc1)C1CCN1
CN1CCCC1c1cc(C)no1
COC1CC=C2CCN3CCC4=C(CC(=O)OC4)C23C1 |t:4,11|
COc1ccc(C=C2CCCN=C2c2cccnc2)c(OC)c1 |w:6.5,c:11|
CNC(=O)OCC[N+](C)(C)C
CN1CCCC1c1cncc(c1)C#C
C1CN2CCC1CC2c1cccnc1 |(15.84,-6.24,;14.49,-7,;16.04,-8.15,;16.81,-6.8,;16.04,-5.47,;14.49,-5.47,;13.72,-6.8,;14.49,-8.15,;13.17,-8.93,;11.82,-8.15,;10.5,-8.95,;10.5,-10.47,;11.82,-11.27,;13.17,-10.47,)|
NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
C1CC2NC1CC2c1cccnc1 |THB:7:6:3:1.0|
Fc1ccc(cc1)-c1cncc(c1)C1CC2CCC1N2 |TLB:11:13:16.17:19|
Clc1ccc(cc1)-c1cncc(c1)C1CC2CCC1N2 |TLB:11:13:16.17:19|
Fc1ncc(cc1-c1cccc(Cl)c1)C1CC2CCC1N2 |TLB:4:14:17.18:20|
Fc1ncc(cc1-c1ccc(Cl)cc1)C1CC2CCC1N2 |TLB:4:14:17.18:20|
Fc1cccc(c1)-c1cc(cnc1F)C1CC2CCC1N2 |TLB:9:14:17.18:20|
COc1cccc(c1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:10:15:18.19:21|
[O-][N+](=O)c1cccc(c1)-c1cc(cnc1F)C1CC2CCC1N2 |TLB:11:16:19.20:22|
Fc1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |TLB:9:14:17.18:20|
[O-][N+](=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |TLB:11:16:19.20:22|
Fc1ncc(cc1-c1ccccc1)C1CC2CCC1N2 |TLB:4:13:16.17:19|
Nc1cccc(c1)-c1cncc(c1)C1CC2CCC1N2 |TLB:11:13:16.17:19|
Clc1cccc(c1)-c1cncc(c1)C1CC2CCC1N2 |TLB:11:13:16.17:19|
Fc1cccc(c1)-c1cncc(c1)C1CC2CCC1N2 |TLB:11:13:16.17:19|
[O-][N+](=O)c1cccc(c1)-c1cncc(c1)C1CC2CCC1N2 |TLB:13:15:18.19:21|
[O-][N+](=O)c1ccc(cc1)-c1cncc(c1)C1CC2CCC1N2 |TLB:13:15:18.19:21|
COc1cccc(c1)-c1cncc(c1)C1CC2CCC1N2 |THB:12:14:17.18:20|
Nc1ccc(cc1)-c1cncc(c1)C1CC2CCC1N2 |TLB:11:13:16.17:19|
Nc1cccc(c1)-c1cc(cnc1F)C1CC2CCC1N2 |TLB:9:14:17.18:20|
C1CC2NC1CC2c1cncc(c1)-c1ccccc1 |TLB:7:6:0.1:3|
Nc1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |TLB:9:14:17.18:20|
C1C2CNCC1c1cc3nccnc3cc21
C1CNCC(C1)c1cc2cccnc2[nH]1
C1CC(CN1)c1cc2cccnc2[nH]1
CN1CCCC1Cc1cc2cccnc2[nH]1
C(C1CCCN1)c1cc2cccnc2[nH]1
Brc1ccc2cc(CC3CCCN3)[nH]c2n1
Clc1ccc2cc(CC3CCCN3)[nH]c2n1
Fc1ccc2cc(CC3CCCN3)[nH]c2n1
CNC(C)CC=Cc1cncc(OC)c1 |w:5.4|
C1CNCC(C1)c1c[nH]c2ncccc12
Clc1ccc2c(c[nH]c2n1)C1CCCNC1
CNCCC=Cc1cccnc1 |w:4.3|
CNC1(COc2cnc(Cl)c(Br)c2)CC1
CNC1(COc2cncc(Br)c2)CC1
CNC1(COc2cncc(c2)C#C)CC1
CN(C)C1(COc2ccc(Br)nc2)CC1
CNC1(COc2ccc(Br)nc2)CC1
CN(C)C1(COc2ccc(Cl)nc2)CC1
CNC1(COc2ccc(Cl)nc2)CC1
Cc1ccc(OCC2(N)CC2)cn1
NC1(COc2ccc(Cl)nc2)CC1
NC1(COc2cccnc2)CC1
C(Oc1cccnc1)C1(CC1)N1CCCC1
CNC1(CC1)C=CCOc1cccnc1 |w:5.5|
CN(C)C1(COc2cccnc2)CC1
CNC1(CC1)C=Cc1cccnc1 |w:5.5|
CNC1(CCOc2cccnc2)CC1
CNC1(CCCOc2cccnc2)CC1
CN(C)C1(COc2ccc(C)nc2)CC1
CCNC1(COc2cccnc2)CC1
CNC1(COc2cncc(C=C)c2)CC1
CNC1(COc2ccc(C)nc2)CC1
CNC1(COc2cccnc2)CC1
CNC1(CCc2cccnc2)CC1
CN(C)C1(COc2cncc(Br)c2)CC1
Cn1c2ccccc2c(OCc2cn(CC[N+]3CCCC3)nn2)cc1=O |^1:16|
Cn1nncc1COc1cc(=O)n(C)c2ccccc12
Cn1c2ccccc2c(OCc2cn(CC[N+]3(C)CCCCC3)nn2)cc1=O
CCC[N+](C)(C)CCn1nncc1COc1cc(=O)n(C)c2ccccc12
Cn1c2ccccc2c(OCc2cn(CC[N+]34CCC(CC3)CC4)nn2)cc1=O
O=c1cc(OCc2cnnn2CC[N+]23CCC(CC2)CC3)c2ccccc2[nH]1
Cn1c2ccccc2c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)cc1=O |TLB:13:16:20.19:23|
CN1CC=C(OCc2cnnn2C2CC3CCC(C2)[N+]3(C)C)c2ccccc12 |t:3,TLB:11:12:19:15.16|
Cn1c2ccccc2c(OCc2cn(CCC[N+]3(C)CCCC3)nn2)cc1=O
Cn1c2ccccc2c(OCc2cnnn2CCC[N+]2(C)CCCC2)cc1=O
C[N+](C)(C)CCn1cc(COc2cc([O])nc3ccccc23)nn1 |^1:14|
C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2cccc(c2)C#N)nn1 |THB:10:8:1:4.5|
COc1cc(C=O)ccc1OCc1cn(nn1)[C@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C |TLB:14:17:24:20.21|
Cc1cc(ccc1OCc1cn(nn1)[C@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)[N+]([O-])=O |TLB:11:14:21:17.18|
CC(=O)NCc1cn(nn1)[C@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C |TLB:7:10:13.14:17|
C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)CCCCC1 |THB:10:8:4.5:1|
C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)c2ccco2)nn1 |THB:10:8:4.5:1|
COc1ccc(C=O)c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c1 |TLB:13:16:19.20:23|
C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccccc2-c2ccno2)nn1 |THB:10:8:1:5.4|
C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CSc2nc3ccccc3s2)nn1 |THB:10:8:1:5.4|
C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)nn1 |THB:10:8:4.5:1|
C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |THB:10:8:1:4.5|
C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccccc2C2CCCC2)nn1 |THB:10:8:1:5.4|
C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C(O)(c1ccccc1)C(F)(F)F |THB:10:8:4.5:1|
C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)c2ccccc2-c2ccccc12 |THB:10:8:4.5:1|
Cc1cc(C)nc(SCCCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)n1 |TLB:13:16:19.20:23|
CC(=O)c1c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)ccc2ccccc12 |TLB:9:12:15.16:19|
C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)N2c3ccccc3CCc3ccccc23)nn1 |THB:10:8:4.5:1|
CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2cc(=O)n(C)c3ccccc23)nn1 |THB:9:7:4.3:1|
CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(C)=O)nn1 |THB:9:7:3.4:1|
CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)CCCCC1 |THB:9:7:3.4:1|
CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)c2ccco2)nn1 |THB:9:7:3.4:1|
COc1ccc(C=O)c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)N3C)c1 |TLB:13:16:20.19:23|
CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccccc2-c2ccno2)nn1 |THB:9:7:1:4.3|
CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CSc2nc3ccccc3s2)nn1 |THB:9:7:1:4.3|
CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)nn1 |THB:9:7:3.4:1|
CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |THB:9:7:1:4.3|
CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccccc2C2CCCC2)nn1 |THB:9:7:1:3.4|
CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C(O)(c1ccccc1)C(F)(F)F |THB:9:7:3.4:1|
CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)c2ccccc2-c2ccccc12 |THB:9:7:3.4:1|
CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CCCSc2nc(C)cc(C)n2)nn1 |THB:9:7:3.4:1|
CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccc3ccccc3c2C(C)=O)nn1 |THB:9:7:3.4:1|
CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)N2c3ccccc3CCc3ccccc23)nn1 |THB:9:7:3.4:1|
Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2 |THB:4:7:13:11.10|
c1cc(cnc1)N2CCCNCC2
CCOc1cc(cnc1)N2CCCNCC2
C1CNCCN(C1)c1cncc(c1)-c1ccccc1
c1cc(ncc1N2CCCNCC2)Br
CCOc1cc(cnc1Br)N2CCCNCC2
O=C(N1CC2CNCC2C1)c1ccco1
O=C(N1CC2CNCC2C1)c1ccncc1
Brc1ccc(o1)C(=O)N1CC2CNCC2C1
O=C(N1CC2CNCC2C1)c1ccoc1
[O-][N+](=O)c1ccc(o1)C(=O)N1CC2CNCC2C1
COc1cc(on1)C(=O)N1CC2CNCC2C1
Brc1ccoc1C(=O)N1CC2CNCC2C1
Clc1ccc(o1)C(=O)N1CC2CNCC2C1
Cc1ccoc1C(=O)N1CC2CNCC2C1
O=C(N1CC2CNCC2C1)c1ccc(o1)C#Cc1ccccc1
Cc1ccc(o1)C(=O)N1CC2CNCC2C1
Brc1cc(on1)C(=O)N1CC2CNCC2C1
Brc1coc(c1)C(=O)N1CC2CNCC2C1
COc1coc(C(=O)N2CC3CNCC3C2)c1OC
Fc1cc(F)cc(c1)-c1coc(c1)C(=O)N1CC2CNCC2C1
O=C(N1CC2CNCC2C1)c1cc(co1)-c1ccccc1
O=C(N1CC2CNCC2C1)c1cc(co1)-c1ccoc1
Cc1cc(no1)C(=O)N1CC2CNCC2C1
Cc1ncoc1C(=O)N1CC2CNCC2C1
Cc1nocc1C(=O)N1CC2CNCC2C1
Cc1cc(on1)C(=O)N1CC2CNCC2C1
Cc1occc1C(=O)N1CC2CNCC2C1
O=CNc1ccc(o1)C(=O)N1CC2CNCC2C1
COc1ccoc1C(=O)N1CC2CNCC2C1
Cc1cc(c(o1)C(=O)N1CC2CNCC2C1)C(F)(F)F
FC(F)(F)c1coc(c1)C(=O)N1CC2CNCC2C1
Nc1coc(c1)C(=O)N1CC2CNCC2C1
Cc1oc(cc1Br)C(=O)N1CC2CNCC2C1
C=Cc1ccoc1C(=O)N1CC2CNCC2C1
CCCCC#Cc1coc(c1)C(=O)N1CC2CNCC2C1
Clc1ccoc1C(=O)N1CC2CNCC2C1
Fc1ccc(o1)C(=O)N1CC2CNCC2C1
Brc1cc(oc1Br)C(=O)N1CC2CNCC2C1
Fc1ccoc1C(=O)N1CC2CNCC2C1
O=C(N1CC2CNCC2C1)c1occc1[N+]#[C-]
Clc1coc(c1)C(=O)N1CC2CNCC2C1
O=C(N1CC2CNCC2C1)c1ccon1
Fc1coc(c1)C(=O)N1CC2CNCC2C1
O=C(N1CC2CNCC2C1)c1ccc(o1)C#C
O=C(N1CC2CNCC2C1)c1ccc(o1)[N+]#[C-]
Cc1cc(F)c(o1)C(=O)N1CC2CNCC2C1
FC(F)c1cc(co1)C(=O)N1CC2CNCC2C1
O=C(N1CC2CNCC2C1)c1ccno1
O=C(N1CC2CNCC(C2)C1)c1ccco1
O=C(N1CC2CNCC(C2)C1)c1ccncc1
Brc1ccoc1C(=O)N1CC2CNCC(C2)C1
Brc1ccc(o1)C(=O)N1CC2CNCC(C2)C1
Cc1ccc(o1)C(=O)N1CC2CNCC(C2)C1
Clc1ccc(o1)C(=O)N1CC2CNCC(C2)C1
COc1cc(on1)C(=O)N1CC2CNCC(C2)C1
Brc1cc(on1)C(=O)N1CC2CNCC(C2)C1
CC(=O)Nc1ccc(o1)C(=O)N1CC2CNCC(C2)C1
Cc1cc(no1)C(=O)N1CC2CNCC(C2)C1
Cc1ncoc1C(=O)N1CC2CNCC(C2)C1
Cc1nocc1C(=O)N1CC2CNCC(C2)C1
Cc1cc(on1)C(=O)N1CC2CNCC(C2)C1
O=C(N1CC2CNCC(C2)C1)c1cc(on1)C1CC1
Clc1ccoc1C(=O)N1CC2CNCC(C2)C1
Fc1ccc(o1)C(=O)N1CC2CNCC(C2)C1
Nc1coc(c1)C(=O)N1CC2CNCC(C2)C1
Fc1cc(F)cc(c1)-c1coc(c1)C(=O)N1CC2CNCC(C2)C1
O=C(N1CC2CNCC(C2)C1)c1cc(co1)-c1ccoc1
Brc1cc(oc1Br)C(=O)N1CC2CNCC(C2)C1
Fc1ccoc1C(=O)N1CC2CNCC(C2)C1
O=C(N1CC2CNCC(C2)C1)c1occc1C#N
Clc1coc(c1)C(=O)N1CC2CNCC(C2)C1
O=C(N1CC2CNCC(C2)C1)c1ccon1
Cc1oc(cc1Br)C(=O)N1CC2CNCC(C2)C1
COc1ccoc1C(=O)N1CC2CNCC(C2)C1
O=C(N1CC2CNCC(C2)C1)c1cnco1
Fc1coc(c1)C(=O)N1CC2CNCC(C2)C1
O=C(N1CC2CNCC(C2)C1)c1ccc(o1)C#C
O=C(N1CC2CNCC(C2)C1)c1ccc(o1)[N+]#[C-]
Cc1cc(F)c(o1)C(=O)N1CC2CNCC(C2)C1
O=C(N1CC2CNCC(C2)C1)c1ncco1
O=C(N1CC2CNCC(C2)C1)c1cc(co1)[N+]#[C-]
Brc1coc(c1)C(=O)N1CC2CNCC(C2)C1
Cc1oncc1C(=O)N1CC2CNCC(C2)C1
O=C(N1CC2CNCC(C2)C1)c1ccno1
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
[O-][N+](=O)N=C1NCCN1Cc1cnc(Cl)c(c1)N=[N+]=[N-] |w:3.2|
[O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1 |t:4|
CN1CCC(CC1)S(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)N3CCOCC3)sc2c1
Clc1ccc(Cn2ccs\c2=N/C(=O)c2cnccn2)cn1
c1cc(ncc1CN\2CCS/C2=N\C#N)Cl
FC(F)(F)C(=O)\N=c1/sccn1Cc1ccc(Cl)nc1
Cc1cc(on1)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:3:6:9.10:12|
Clc1ccc(cn1)C1=CCCC2CCC1N2 |t:8,THB:4:7:12.13:15|
CN1C2CCC1C(=C2)c1cc(C)no1 |c:7,TLB:8:6:3.4:1|
Cc1cc(on1)C1=CC2CCC1N2 |t:7,THB:3:6:9.10:12|
Cc1cc(on1)[C@@H]1C[C@H]2CC[C@H]1N2 |r,THB:3:6:9.10:12|
Clc1ccc(cn1)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:4:7:10.11:13|
Cc1c(cnn1C1CCNCC1)-c1cc(no1)-c1ccccc1Cl
CN(Cc1cc(no1)-c1ccccc1Cl)C(=O)C1CCNCC1
Clc1ccccc1-c1cc(on1)-c1cnn(c1)C1CCNCC1
C1CC(CCN1)n1cc(cn1)-c1cc(no1)-c1ccccc1
Cc1c(cnn1C1CCNCC1)-c1cc(no1)-c1ccccc1
Fc1cccc(Cl)c1-c1cc(on1)-c1cnn(c1)C1CCNCC1
Cc1c(cnn1C1CCNCC1)-c1cc(no1)-c1c(F)cccc1Cl
Fc1ccc(Cl)c(c1)-c1cc(on1)-c1cnn(c1)C1CCNCC1
Fc1ccc(-c2cc(on2)-c2cnn(c2)C2CCNCC2)c(Cl)c1
Fc1cccc(-c2cc(on2)-c2cnn(c2)C2CCNCC2)c1Cl
Clc1cnccc1-c1cc(on1)-c1cnn(c1)C1CCNCC1
Clc1sccc1-c1cc(on1)-c1cnn(c1)C1CCNCC1
Clc1cccc(Cl)c1-c1cc(on1)-c1cnn(c1)C1CCNCC1
Cc1cc(on1)-c1cnn(c1)C1CCNCC1
C1CCC(CC1)c1cc(on1)-c1cnn(c1)C1CCNCC1
Clc1ccccc1-c1cc(on1)-c1cnc(s1)C1CCNCC1
Cn1c(cnc1C1CCNCC1)-c1cc(no1)-c1c(F)cccc1Cl
CCn1c(cnc1C1CCNCC1)-c1cc(no1)-c1c(F)cccc1Cl
Cn1c(cnc1C1(F)CCNCC1)-c1cc(no1)-c1c(F)cccc1Cl
CCn1c(cnc1C1(F)CCNCC1)-c1cc(no1)-c1c(F)cccc1Cl
Clc1ccc(cn1)N1CC2CC(C1)N2 |TLB:4:7:13:10|
CN1C2CC1CN(C2)c1ccc(Cl)nc1 |THB:8:6:1:3|
Clc1ccc(nn1)N1CC2CC(C1)N2 |TLB:4:7:13:10|
[O-][N+](=O)c1ccc(cc1)N1CC2CC(C1)N2 |TLB:6:9:15:12|
Brc1ccc(cn1)N1CC2CC(C1)N2 |TLB:4:7:13:10|
C1C2CN(CC1N2)c1cccnc1 |TLB:7:3:6:0|
Clc1ccc(cn1)N1CC2CC1CN2 |TLB:4:7:10:12.13|
CNC(=O)OCCC(C)N(C)C
CC(CCCC(=O)N(C)C)N(C)C
CNC(=O)\C=C\CC(C)N(C)C
CC(C\C=C\C(=O)N(C)C)N(C)C
CC(CCOC(=S)N(C)C)N(C)C
CC(CCSC(=O)N(C)C)N(C)C
CC(CCNC(=O)N(C)C)N(C)C
CC(CCNC(=O)Nc1ccccc1)N(C)C
CN(C)C(CO)CCOC(=O)N(C)C
CN(C)C(CCOC(=O)N(C)C)C1CC1
CN(C)C(CCOC(=O)N(C)C)c1ccsc1
CN(C)C(CCOC(=O)N(C)C)c1ccccc1
CC(CCOC(=O)N(C)CCO)N(C)C
CC(CCOC(=O)N(C)c1ccccc1)N(C)C
CC(CCOC(=O)N(C)c1ccc(Cl)cc1)N(C)C
CC(CCOC(=O)N(C)c1ccc(cc1)C#N)N(C)C
CC(CCOC(=O)N(C)Cc1ccccc1)N(C)C
CC(CCOC(N)=O)N(C)C
CCNC(=O)OCCC(C)N(C)C
CCCNC(=O)OCCC(C)N(C)C
CC(CCOC(=O)NCCO)N(C)C
CC(CCOC(=O)NCCCc1ccccc1)N(C)C
CN1CCC[C@@H]1[C@H]1COc2ccccc2O1
CN1CCC[C@@H]1[C@@H]1COc2ccccc2O1 |r|
CN1CCC[C@H]1[C@H]1COc2ccccc2O1 |r|
C1CN[C@@H](C1)[C@@H]1COc2ccccc2O1 |r|
C1CN[C@H](C1)[C@H]1COc2ccccc2O1 |r|
C1CN[C@H](C1)[C@@H]1COc2ccccc2O1 |r|
C1CN[C@@H](C1)[C@H]1COc2ccccc2O1 |r|
CN1CCC[C@H]1[C@H]1CNC(=O)O1 |r|
CN1CCC[C@H]1c1cccnc1 |r|
CN1CCC[C@@H]1[C@@H]1CNC(=O)O1 |r|
CN1CCC[C@H]1[C@@H]1CNC(=O)O1 |r|
CN1CCC[C@@H]1[C@H]1CNC(=O)O1 |r|
CN1CCC[C@H]1[C@@H]1COc2ccccc2O1
Clc1ccc(OC[C@H]2CCN2)cn1 |r|
C1NC2CC1N(C2)c1cccnc1 |TLB:7:5:0.1:3|
C1NC2CN(CC12)c1cccnc1
Clc1ccc(cn1)N1CCC2(CCN2)C1
C1CC2(CCN(C2)c2cccnc2)N1
Clc1ccc(cn1)N1CCC2(CCCN2)C1
C1CNC2(C1)CCN(C2)c1cccnc1
Clc1ccc(cn1)N1CCC2(CCNC2)C1
C1CC2(CCN(C2)c2cccnc2)CN1
C[N+]1([C@H]2CC[C@@H]1CC(C2)OC3c4ccccc4CCc5c3cccc5)C
C(N1C2CCC1CC(C2)OC1c2ccccc2CCc2ccccc12)c1ccccc1
C1[C@H]2CNC[C@@H]1C3=CC=CC(=O)N3C2
O=C(CCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccccc1 |r|
Fc1ccc(cc1)C(=O)CCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 |r|
O=c1cccc2[C@@H]3C[C@@H](CN(CCc4ccncc4)C3)Cn12 |r|
CC(=O)CCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 |r|
NC(=O)CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 |r|
Fc1ccc(CCCCN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 |r|
O=c1cccc2[C@@H]3C[C@@H](CN(Cc4ccccc4)C3)Cn12 |r|
Fc1ccc(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 |r|
O=c1cccc2[C@@H]3C[C@@H](CN(CCc4ccccc4)C3)Cn12 |r|
O=c1cccc2[C@@H]3C[C@@H](CN(CCCc4ccccc4)C3)Cn12 |r|
Fc1ccc(CCCN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 |r|
O=c1cccc2[C@@H]3C[C@@H](CN(CCCCc4ccccc4)C3)Cn12 |r|
Fc1ccc(cc1)C(=O)CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 |r|
Fc1ccc(cc1)C(=O)CCCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 |r|
CCCCCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 |r|
O=C(CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccccc1 |r|
NC(=O)CCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 |r|
NS(=O)(=O)CCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 |r|
O=c1cccc2[C@@H]3C[C@@H](CN(Cc4ccncc4)C3)Cn12 |r|
Cc1ccc(CCN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 |r|
O=c1cccc2[C@@H]3C[C@@H](CN(CCCc4cccnc4)C3)Cn12 |r|
CC(=O)CCCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 |r|
O=C(CCCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccccc1 |r|
O=c1cccc2[C@@H]3C[C@@H](CN(CCc4ccccn4)C3)Cn12 |r|
Fc1ccc(CCN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 |r|
O=c1cccc2[C@@H]3C[C@@H](CN(Cc4cccnc4)C3)Cn12 |r|
Cc1ccc(CCCN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 |r|
Cc1ccc[n+](CCCCCCCCCCCC[n+]2cccc(C)c2)c1
Fc1ncccc1OC[C@@H]1CCN1
Fc1cc(COc2cc(OC[C@@H]3CCCN3)cnc2Cl)ccn1 |r|
CN1CCC[C@H]1COc1cnc(Cl)c(OCc2ccnc(F)c2)c1 |r|
Clc1ccc(Oc2cc(OC[C@@H]3CCCN3)cnc2Cl)cn1 |r|
CN1CCC[C@H]1COc1cnc(Cl)c(OCc2ccc(Cl)nc2)c1 |r|
CN1CCC[C@@H]1COc1cnc(Cl)c(OCc2ccc(Cl)nc2)c1 |r|
CN1CCC[C@H]1COc1cnc(Cl)c(c1)-c1ccnc(F)c1 |r|
CN1CCC[C@H]1COc1cnc(Cl)c(\C=C\c2ccncc2)c1 |r|
CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@H]14 |r,wU:4.4,48.54,44.48,42.46,36.39,39.43,wD:28.52,35.36,31.32,29.31,47.50,25.27,32.34,TLB:23:4:28:44.42,4:47:36.29.35:48,1:2:28:44.42,45:44:36.29.35:48,44:47:24.23.25:3.48.2,42:36:32:29.30,THB:37:36:32:29.30,40:39:32:29.30,5:4:28:44.42,(5.29,-1.99,;6.48,-1.02,;7.91,-1.57,;7.91,-4.71,;8.6,-3.19,;9.67,-4.27,;9.27,-5.75,;10.35,-6.84,;11.83,-6.45,;9.94,-8.32,;8.46,-8.7,;8.06,-10.18,;9.14,-11.27,;10.63,-10.87,;11.02,-9.39,;12.51,-8.99,;13.7,-9.95,;13.62,-11.48,;14.98,-9.12,;14.58,-7.64,;15.55,-6.45,;13.05,-7.56,;11.52,-7.55,;7.27,-2.43,;7.27,-.88,;8.6,-.11,;8.59,1.42,;7.27,2.19,;9.93,-.88,;11.13,.09,;10.97,1.62,;12.38,2.24,;13.41,1.1,;17.14,1.1,;17.91,-.25,;12.64,-.24,;13.31,-1.62,;14.39,-2.7,;15.18,-1.64,;15.11,2.18,;16.19,3.26,;15.8,4.74,;12.66,-3.02,;13.74,-4.1,;11.15,-3.38,;10.82,-4.87,;12.29,-5.26,;9.94,-2.42,;9.88,1.15,)|
CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)ccc3O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)C14 |r,wU:43.47,38.42,4.4,35.38,wD:30.31,28.30,31.33,27.51,46.49,41.45,24.26,34.35,TLB:22:4:27:43.41,43:46:23.22.24:3.2.47,41:35:31:28.29,1:2:27:43.41,THB:4:46:47:35.28.34,39:38:31:28.29,44:43:47:35.28.34,36:35:31:28.29,(15.79,-22.97,;16.54,-24.36,;19.21,-24.36,;17.63,-26.66,;18.97,-25.9,;18.97,-27.44,;17.64,-28.21,;17.64,-29.75,;16.31,-30.52,;18.98,-30.52,;20.29,-29.75,;21.63,-30.51,;21.63,-32.05,;20.3,-32.82,;18.97,-32.06,;17.63,-32.82,;17.47,-34.36,;18.61,-35.39,;15.97,-34.68,;15.2,-33.34,;16.23,-32.2,;14.89,-31.43,;17.64,-25.14,;17.64,-23.6,;18.97,-22.83,;18.97,-21.29,;17.64,-20.52,;20.3,-23.6,;21.51,-22.63,;21.36,-21.09,;22.78,-20.48,;23.81,-21.64,;25.34,-21.5,;26.23,-22.76,;23.01,-22.97,;23.68,-24.36,;24.77,-25.44,;26.79,-24.3,;26.84,-20.46,;27.9,-19.34,;29.4,-19.7,;23.02,-25.76,;23.94,-26.99,;21.51,-26.11,;21.17,-27.61,;22.3,-28.65,;20.3,-25.14,;20.29,-22.06,)|
CN1C2CCC1C(C2)c1cncc(c1)-c1ccc(F)nc1 |TLB:8:6:3.4:1|
Fc1ncccc1OC[C@@H]1CCN1 |r|
CN1[C@@H]2CC[C@@H]1[C@H](C2)c1cncc(c1)-c1ccnc(F)c1 |r,TLB:8:6:3.4:1|
CN1[C@@H]2CC[C@@H]1[C@H](C2)c1cncc(c1)-c1cccnc1F |r,TLB:8:6:3.4:1|
CN1[C@@H]2CC[C@@H]1[C@H](C2)c1cncc(c1)-c1cccc(F)n1 |r,TLB:8:6:3.4:1|
CC(CCOC(=O)N1CCCC1)N(C)C
CC(CCOC(=O)N1CCCCC1)N(C)C
CC(CCOC(=O)N1CCC1)N(C)C
CC(CCOC(=O)N1CC(C)(C)C1)N(C)C
CC(CCOC(=O)N1CC(F)(F)C1)N(C)C
C[C@H](CCOC(=O)N1CC(C)C1)N(C)C |r|
CC(CCOC(=O)n1cccc1)N(C)C
CC(CCOC(C)=O)N(C)C
CC(C)C(=O)OCCC(C)N(C)C
CC(CCOC(=O)C1CCC1)N(C)C
CC(CCOC(=O)c1ccccc1)N(C)C
C[C@@H](CCOC(=O)N1CC(C)C1)N(C)C |r|
CC(CCOC(=O)N1CCC1C)N(C)C
CC(CCOC(=O)N1CCC1(C)C)N(C)C
CC(CCOC(=O)C1CC1)N(C)C
COc1ccc(cc1)-c1ccc(nn1)N1C[C@@H]2CN(C)C[C@@H]2C1 |r|
CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccc2[nH]ccc2c1 |r|
C1NC[C@@H]2CN(C[C@H]12)c1ccc(nc1)-c1ccccc1 |r|
C[N+]1(C)C[C@@H]2CN(C[C@@H]2C1)c1ccc(Cl)nc1 |r|
C1NC[C@@H]2CN(C[C@H]12)c1ccccn1 |r|
CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nc1)-c1cccc(c1)[N+]([O-])=O |r|
C1NC[C@@H]2CN(C[C@H]12)c1ccc(nn1)-c1ccccc1 |r|
CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nc1)-c1cccc(c1)-c1ccccc1 |r|
CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1cccc(O)c1 |r|
C1NC[C@@H]2CN(C[C@H]12)c1ccncc1 |r|
C1NC[C@@H]2CN(C[C@H]12)c1ccc(cc1)-c1ccccc1 |r|
C[N+]1(C)C[C@@H]2CN(C[C@@H]2C1)c1ccc(nn1)-c1ccccc1 |r|
CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccc(O)cc1 |r|
C1NC[C@@H]2CN(C[C@H]12)c1ccc(cn1)-c1ccccc1 |r|
CN1C[C@H]2CN(C[C@H]2C1)c1ccc(cn1)-c1ccccc1 |r|
CN1C[C@H]2CN(C[C@H]2C1)c1ccc(cc1)-c1ccccc1 |r|
CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccccc1 |r|
CCN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccccc1 |r|
CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccc(C)cc1 |r|
CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1cccc(C)c1 |r|
CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1cc(C)cc(C)c1 |r|
C1NC[C@@H]2CN(C[C@H]12)c1cccnc1 |r|
CCOc1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1 |r|
C1NC[C@@H]2CN(C[C@H]12)c1cncc(c1)-c1ccccc1 |r|
CCCOc1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1 |r|
CC(C)Oc1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1 |r|
C(Oc1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1)c1ccccc1 |r|
Brc1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1 |r|
COc1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1 |r|
Clc1ccc(cn1)N1C[C@@H]2CNC[C@@H]2C1 |r|
Brc1ccc(cn1)N1C[C@@H]2CNC[C@@H]2C1 |r|
Oc1cncc(c1)N1C[C@@H]2CNC[C@@H]2C1 |r|
CN1C[C@H]2CN(C[C@H]2C1)c1cccnc1 |r|
CN1C[C@H]2CN(C[C@H]2C1)c1ccc(Cl)nc1 |r|
C1NC[C@@H]2CN(C[C@H]12)c1cncc(c1)N1CCOCC1 |r|
CN1C[C@H]2CN(C[C@H]2C1)c1cncc(c1)-c1ccccc1 |r|
O=C(Oc1ccc2ccccc2c1)N1CCN2CCC1CC2 |TLB:1:13:18.17:20.21,(26.32,-21.11,;26.59,-22.64,;28.05,-23.16,;29.23,-22.17,;28.95,-20.65,;30.13,-19.66,;31.59,-20.18,;32.76,-19.19,;34.21,-19.71,;34.49,-21.24,;33.3,-22.23,;31.85,-21.7,;30.68,-22.7,;25.41,-23.63,;25.78,-25.11,;24.78,-24.38,;23.39,-24.45,;23.31,-22.75,;23.93,-21.59,;24,-23.01,;22.7,-23.71,;22.4,-25.16,)|
Brc1ccc(OC(=O)N2CCN3CCC2CC3)cc1C(=O)c1ccccc1 |TLB:6:8:13.12:15.16,(17.84,-19.26,;16.66,-20.26,;15.15,-19.71,;13.93,-20.75,;14.21,-22.32,;12.98,-23.35,;11.48,-22.81,;11.19,-21.22,;10.25,-23.84,;10.63,-25.37,;9.59,-24.62,;8.15,-24.69,;8.06,-22.92,;8.71,-21.72,;8.78,-23.2,;7.43,-23.93,;7.12,-25.43,;15.72,-22.87,;16.95,-21.84,;18.39,-22.36,;18.66,-23.88,;19.57,-21.37,;21.02,-21.91,;22.19,-20.92,;21.93,-19.4,;20.47,-18.88,;19.3,-19.87,)|
Fc1cc(OC(=O)N2CCN3CCC2CC3)ccc1Cl |TLB:5:7:12.11:14.15,(25.98,-13.32,;24.59,-12.82,;23.41,-13.81,;21.96,-13.28,;20.77,-14.27,;19.32,-13.75,;19.05,-12.22,;18.14,-14.74,;18.5,-16.22,;17.5,-15.49,;16.12,-15.57,;16.04,-13.86,;16.66,-12.7,;16.73,-14.12,;15.43,-14.83,;15.12,-16.27,;21.68,-11.76,;22.86,-10.77,;24.32,-11.29,;25.45,-10.34,)|
Clc1ccc(OC(=O)N2CCN3CCC2CC3)cc1Cl |TLB:6:8:13.12:15.16,(13.61,-10.33,;12.48,-11.28,;11.02,-10.76,;9.84,-11.76,;10.12,-13.27,;8.94,-14.27,;7.48,-13.74,;7.21,-12.22,;6.3,-14.73,;6.67,-16.21,;5.67,-15.49,;4.28,-15.56,;4.2,-13.85,;4.82,-12.69,;4.89,-14.11,;3.59,-14.82,;3.29,-16.26,;11.57,-13.8,;12.75,-12.81,;14.14,-13.31,)|
Cc1cc(OC(=O)N2CCN3CCC2CC3)ccc1Br |TLB:5:7:12.11:14.15,(25.56,-5.32,;24.16,-4.82,;22.98,-5.81,;21.53,-5.28,;20.35,-6.28,;18.89,-5.75,;18.62,-4.22,;17.71,-6.74,;18.08,-8.22,;17.08,-7.5,;15.69,-7.57,;15.61,-5.86,;16.23,-4.7,;16.3,-6.12,;15,-6.83,;14.7,-8.27,;21.26,-3.76,;22.43,-2.77,;23.89,-3.29,;25.02,-2.34,)|
Clc1cc(OC(=O)N2CCN3CCC2CC3)ccc1Br |TLB:5:7:12.11:14.15,(1.98,-4.06,;.58,-3.56,;-.6,-4.55,;-2.05,-4.02,;-3.23,-5.01,;-4.68,-4.49,;-4.96,-2.96,;-5.86,-5.48,;-5.5,-6.96,;-6.5,-6.23,;-7.89,-6.31,;-7.97,-4.6,;-7.35,-3.44,;-7.28,-4.86,;-8.58,-5.57,;-8.88,-7.01,;-2.32,-2.5,;-1.15,-1.51,;.31,-2.03,;1.45,-1.08,)|
O=C(Oc1ccc(cc1)-c1ccncc1)N1CCN2CCC1CC2 |TLB:1:15:20.19:22.23,(-3.61,-32.7,;-3.61,-34.24,;-2.27,-35,;-.94,-34.24,;.42,-35.05,;1.8,-34.24,;1.8,-32.65,;.41,-31.87,;-.96,-32.66,;3.13,-31.88,;4.47,-32.65,;5.81,-31.88,;5.8,-30.35,;4.47,-29.57,;3.13,-30.35,;-4.94,-35,;-4.85,-36.56,;-5.73,-35.64,;-7.13,-35.47,;-6.92,-33.72,;-6.08,-32.68,;-6.26,-34.11,;-7.71,-34.6,;-8.27,-36.01,)|
O=C(Oc1ccc(cc1)-c1cccnc1)N1CCN2CCC1CC2 |TLB:1:15:20.19:22.23,(28.87,-23.44,;28.87,-24.98,;30.21,-25.74,;31.54,-24.97,;32.9,-25.77,;34.28,-24.97,;34.28,-23.38,;32.9,-22.6,;31.53,-23.39,;35.61,-22.61,;35.6,-21.07,;36.92,-20.29,;38.26,-21.06,;38.27,-22.6,;36.95,-23.36,;27.54,-25.74,;27.64,-27.3,;26.76,-26.39,;25.35,-26.22,;25.57,-24.47,;26.4,-23.42,;26.22,-24.86,;24.78,-25.34,;24.22,-26.75,)|
O=C(Oc1ccc(cc1)-c1ccccn1)N1CCN2CCC1CC2 |TLB:1:15:20.19:22.23,(13.56,-25.18,;13.56,-26.75,;14.91,-27.54,;16.27,-26.75,;17.64,-27.55,;19.03,-26.76,;19.03,-25.16,;17.63,-24.36,;16.26,-25.16,;20.38,-24.37,;20.38,-22.83,;21.71,-22.07,;23.03,-22.83,;23.03,-24.36,;21.7,-25.14,;12.2,-27.54,;12.3,-29.09,;11.42,-28.18,;10,-28,;10.23,-26.25,;11.07,-25.19,;10.88,-26.64,;9.43,-27.13,;8.87,-28.55,)|
O=C(Oc1cccc(Oc2ccccc2)c1)N1CCN2CCC1CC2 |TLB:1:16:21.20:23.24,(-5.13,-23.49,;-4.85,-25.07,;-3.34,-25.62,;-2.12,-24.58,;-2.4,-23.01,;-1.18,-21.98,;.33,-22.52,;.61,-24.1,;2.06,-24.63,;3.24,-23.64,;4.68,-24.17,;5.86,-23.18,;5.59,-21.66,;4.13,-21.14,;2.96,-22.13,;-.61,-25.13,;-6.08,-26.1,;-5.7,-27.63,;-6.74,-26.88,;-8.18,-26.95,;-8.26,-25.18,;-7.61,-23.98,;-7.54,-25.46,;-8.89,-26.19,;-9.21,-27.69,)|
O=C(Oc1ccc(Oc2ccccc2)cc1)N1CCN2CCC1CC2 |TLB:1:16:21.20:23.24,(21.87,-16.87,;22.15,-18.45,;23.66,-19,;24.89,-17.96,;26.4,-18.52,;27.62,-17.48,;27.34,-15.9,;28.52,-14.91,;29.97,-15.43,;30.23,-16.94,;31.68,-17.47,;32.86,-16.47,;32.58,-14.95,;31.13,-14.43,;25.82,-15.35,;24.6,-16.39,;20.93,-19.48,;21.3,-21.02,;20.26,-20.26,;18.82,-20.34,;18.74,-18.56,;19.39,-17.36,;19.46,-18.84,;18.11,-19.57,;17.79,-21.07,)|
O=C(Oc1cccc(c1)-c1ccccc1)N1CCN2CCC1CC2 |TLB:1:15:20.19:22.23,(6.24,-14.72,;6.52,-16.3,;8.03,-16.84,;9.26,-15.81,;8.97,-14.24,;10.19,-13.2,;11.71,-13.75,;11.99,-15.33,;10.76,-16.36,;13.43,-15.85,;13.7,-17.36,;15.14,-17.89,;16.32,-16.9,;16.05,-15.38,;14.6,-14.86,;5.3,-17.33,;5.68,-18.86,;4.64,-18.11,;3.2,-18.18,;3.12,-16.41,;3.76,-15.21,;3.84,-16.69,;2.48,-17.42,;2.17,-18.92,)|
O=C(Oc1ccc(cc1)-c1ccccc1)N1CCN2CCC1CC2 |TLB:1:15:20.19:22.23,(-4.95,-14.53,;-4.67,-16.11,;-3.16,-16.65,;-1.94,-15.62,;-.43,-16.17,;.79,-15.14,;.51,-13.56,;-1,-13.01,;-2.22,-14.05,;1.68,-12.57,;3.13,-13.1,;4.3,-12.11,;4.03,-10.59,;2.58,-10.07,;1.41,-11.06,;-5.9,-17.14,;-5.52,-18.67,;-6.56,-17.92,;-8,-17.99,;-8.08,-16.22,;-7.43,-15.02,;-7.36,-16.5,;-8.71,-17.23,;-9.03,-18.73,)|
O=C(Oc1cccc(c1)C(=O)c1ccccc1)N1CCN2CCC1CC2 |TLB:1:17:22.21:24.25,(27.34,-3.85,;27.34,-5.38,;28.68,-6.15,;30.01,-5.38,;30,-3.85,;31.33,-3.07,;32.68,-3.84,;32.68,-5.38,;31.34,-6.15,;34.01,-6.15,;35.34,-5.38,;34.01,-7.69,;32.67,-8.46,;32.67,-10,;34.01,-10.77,;35.34,-10,;35.34,-8.46,;26.01,-6.15,;26.12,-7.67,;25.25,-6.78,;23.88,-6.61,;24.1,-4.92,;24.91,-3.89,;24.73,-5.3,;23.33,-5.76,;22.79,-7.14,)|
O=C(Oc1ccc(cc1)C(=O)c1ccccc1)N1CCN2CCC1CC2 |TLB:1:17:22.21:24.25,(9.05,-5.68,;9.33,-7.19,;10.77,-7.72,;11.96,-6.73,;13.4,-7.26,;14.58,-6.26,;14.31,-4.75,;12.85,-4.22,;11.67,-5.22,;15.49,-3.75,;15.21,-2.23,;16.94,-4.27,;17.21,-5.79,;18.66,-6.32,;19.84,-5.32,;19.56,-3.8,;18.11,-3.27,;8.14,-8.19,;8.51,-9.66,;7.51,-8.94,;6.13,-9.01,;6.04,-7.3,;6.67,-6.15,;6.74,-7.56,;5.44,-8.27,;5.13,-9.72,)|
COc1cccc(OC(=O)N2CCN3CCC2CC3)c1 |TLB:8:10:15.14:17.18,(1.83,-7.16,;1.55,-5.64,;.11,-5.11,;-.17,-3.58,;-1.63,-3.06,;-2.81,-4.06,;-2.53,-5.57,;-3.7,-6.56,;-5.16,-6.04,;-5.43,-4.52,;-6.34,-7.03,;-5.98,-8.51,;-6.98,-7.79,;-8.36,-7.85,;-8.44,-6.14,;-7.82,-5,;-7.75,-6.41,;-9.05,-7.12,;-9.36,-8.56,;-1.08,-6.1,)|
COc1ccc(OC(=O)N2CCN3CCC2CC3)cc1 |TLB:7:9:14.13:16.17,(36.81,4.41,;35.35,4.94,;34.17,3.94,;34.44,2.42,;33.26,1.42,;31.82,1.96,;30.63,.96,;29.18,1.48,;28.91,3.01,;28,.49,;28.37,-.98,;27.36,-.26,;25.97,-.33,;25.89,1.38,;26.52,2.53,;26.58,1.12,;25.28,.41,;24.98,-1.04,;31.54,3.47,;32.71,4.46,)|
Cc1cccc(OC(=O)N2CCN3CCC2CC3)c1 |TLB:7:9:14.13:16.17,(23.73,2.25,;22.27,2.79,;22,4.31,;20.54,4.83,;19.36,3.84,;19.64,2.32,;18.46,1.33,;17.01,1.85,;16.73,3.37,;15.83,.86,;16.19,-.62,;15.18,.1,;13.8,.03,;13.72,1.74,;14.35,2.9,;14.41,1.47,;13.11,.77,;12.81,-.67,;21.08,1.79,)|
Cc1ccc(OC(=O)N2CCN3CCC2CC3)cc1 |TLB:6:8:13.12:15.16,(11.85,5.86,;10.66,4.86,;10.94,3.34,;9.75,2.35,;8.3,2.88,;7.12,1.88,;5.67,2.41,;5.4,3.93,;4.48,1.41,;4.85,-.06,;3.85,.66,;2.47,.59,;2.39,2.31,;3,3.45,;3.07,2.03,;1.77,1.33,;1.47,-.12,;8.03,4.39,;9.2,5.39,)|
Brc1ccccc1OC(=O)N1CCN2CCC1CC2 |TLB:8:10:15.14:17.18,(-1.38,.74,;-1.65,2.25,;-.47,3.25,;-.74,4.77,;-2.2,5.3,;-3.38,4.3,;-3.11,2.79,;-4.29,1.79,;-5.74,2.32,;-6.01,3.84,;-6.92,1.32,;-6.56,-.15,;-7.56,.57,;-8.94,.5,;-9.02,2.21,;-8.4,3.37,;-8.33,1.94,;-9.63,1.24,;-9.94,-.21,)|
Brc1cccc(OC(=O)N2CCN3CCC2CC3)c1 |TLB:7:9:14.13:16.17,(35.7,-48.55,;34.25,-48.03,;33.98,-46.5,;32.51,-45.98,;31.34,-46.98,;31.62,-48.49,;30.44,-49.49,;28.98,-48.96,;28.71,-47.44,;27.8,-49.95,;28.17,-51.43,;27.16,-50.71,;25.78,-50.77,;25.7,-49.07,;26.32,-47.91,;26.39,-49.33,;25.09,-50.04,;24.79,-51.48,;33.07,-49.02,)|
Clc1ccccc1OC(=O)N1CCN2CCC1CC2 |TLB:8:10:15.14:17.18,(12.15,-50.36,;11.88,-48.85,;13.06,-47.85,;12.79,-46.33,;11.33,-45.8,;10.15,-46.8,;10.43,-48.32,;9.25,-49.31,;7.8,-48.78,;7.53,-47.26,;6.62,-49.78,;6.98,-51.26,;5.98,-50.53,;4.59,-50.6,;4.52,-48.89,;5.13,-47.74,;5.2,-49.16,;3.9,-49.86,;3.6,-51.31,)|
Clc1cccc(OC(=O)N2CCN3CCC2CC3)c1 |TLB:7:9:14.13:16.17,(2.4,-48.55,;.95,-48.03,;.68,-46.5,;-.79,-45.98,;-1.96,-46.98,;-1.68,-48.49,;-2.86,-49.49,;-4.32,-48.96,;-4.59,-47.44,;-5.5,-49.95,;-5.13,-51.43,;-6.14,-50.71,;-7.52,-50.77,;-7.6,-49.07,;-6.98,-47.91,;-6.91,-49.33,;-8.21,-50.04,;-8.51,-51.48,;-.24,-49.02,)|
Clc1ccc(OC(=O)N2CCN3CCC2CC3)cc1 |TLB:6:8:13.12:15.16,(35.17,-37.92,;33.99,-38.92,;34.26,-40.44,;33.08,-41.43,;31.63,-40.9,;30.45,-41.9,;29,-41.37,;28.73,-39.85,;27.82,-42.37,;28.18,-43.84,;27.18,-43.12,;25.79,-43.19,;25.72,-41.48,;26.33,-40.32,;26.4,-41.74,;25.1,-42.45,;24.8,-43.89,;31.35,-39.39,;32.53,-38.39,)|
Fc1cccc(OC(=O)N2CCN3CCC2CC3)c1 |TLB:7:9:14.13:16.17,(22.94,-41.26,;21.49,-40.73,;21.22,-39.21,;19.75,-38.69,;18.58,-39.68,;18.86,-41.2,;17.68,-42.19,;16.22,-41.67,;15.95,-40.15,;15.04,-42.66,;15.41,-44.14,;14.4,-43.41,;13.02,-43.48,;12.94,-41.77,;13.56,-40.62,;13.63,-42.04,;12.33,-42.74,;12.03,-44.19,;20.3,-41.73,)|
Fc1ccc(OC(=O)N2CCN3CCC2CC3)cc1 |TLB:6:8:13.12:15.16,(12,-37.68,;10.82,-38.68,;11.09,-40.2,;9.91,-41.19,;8.46,-40.66,;7.28,-41.66,;5.83,-41.13,;5.56,-39.61,;4.65,-42.13,;5.01,-43.6,;4.01,-42.88,;2.62,-42.95,;2.55,-41.24,;3.17,-40.08,;3.23,-41.5,;1.93,-42.21,;1.63,-43.65,;8.19,-39.15,;9.36,-38.15,)|
O=C(Oc1ccccc1)N1CCN2CCC1CC2 |TLB:1:9:14.13:16.17,(-5.08,4.31,;-5.08,2.76,;-3.74,1.99,;-2.4,2.77,;-1.06,2,;.28,2.77,;.27,4.32,;-1.08,5.09,;-2.41,4.31,;-6.42,1.98,;-6.05,.51,;-7.06,1.23,;-8.44,1.16,;-8.52,2.88,;-7.9,4.03,;-7.83,2.61,;-9.13,1.9,;-9.44,.45,)|
C[C@@H]1CN([C@@H](C)CN1)C(=O)Oc1ccc(Br)cc1 |r|
C[C@H]1CN(C[C@@H](C)N1)C(=O)Oc1ccc(Br)cc1 |r|
C[C@@H]1CN(CCN1)C(=O)Oc1ccc(Br)cc1 |r|
CN1CCCN(CC1)C(=O)Oc1ccc(Br)cc1
Brc1ccc(OC(=O)N2CCN3CCC(CC3)C2)cc1 |TLB:6:8:13.12:15.16,(27.55,4.64,;26.37,3.64,;26.64,2.12,;25.46,1.13,;24.01,1.66,;22.83,.66,;21.38,1.19,;21.11,2.71,;19.94,.42,;18.89,-.37,;18.53,1,;17.15,.93,;17.07,2.64,;17.69,3.79,;17.76,2.37,;16.46,1.67,;16.16,.22,;19.17,1.75,;23.73,3.17,;24.91,4.17,)|
Brc1ccc(OC(=O)N2CCCN3CCC2CC3)cc1 |TLB:6:8:14.13:16.17,(13.79,5.49,;12.61,4.49,;12.88,2.97,;11.7,1.97,;10.25,2.5,;9.07,1.51,;7.62,2.04,;7.35,3.56,;6.43,1.04,;7.2,-.29,;6.15,-1.08,;5.79,.29,;4.41,.22,;4.33,1.93,;4.95,3.08,;5.02,1.66,;3.72,.96,;3.42,-.49,;9.97,4.02,;11.15,5.02,)|
Brc1ccc(OC(=O)N2CCN3CCC2CC3)cc1 |TLB:6:8:13.12:15.16,(1.51,4.96,;.33,3.96,;.6,2.44,;-.59,1.45,;-2.03,1.98,;-3.21,.98,;-4.67,1.51,;-4.94,3.03,;-5.85,.51,;-5.48,-.96,;-6.49,-.24,;-7.87,-.31,;-7.95,1.4,;-7.33,2.56,;-7.26,1.14,;-8.56,.43,;-8.86,-1.01,;-2.31,3.49,;-1.14,4.49,)|
C1N[C@H]2CN(CC[C@@H]12)c1cccnc1 |r|
C1N[C@@H]2CN(CC[C@H]12)c1cccnc1 |r|
Clc1ccc(cn1)N1CC[C@H]2CN[C@H]2C1 |r|
Clc1ccc(cn1)N1CC[C@@H]2CN[C@@H]2C1 |r|
Brc1cncc(c1)N1CC[C@H]2CN[C@H]2C1 |r|
Brc1cncc(c1)N1CC[C@@H]2CN[C@@H]2C1 |r|
Clc1cc(cnc1Cl)N1CC[C@H]2CN[C@H]2C1 |r|
Clc1cc(cnc1Cl)N1CC[C@@H]2CN[C@@H]2C1 |r|
Brc1cc(cnc1Br)N1CC[C@@H]2CN[C@@H]2C1 |r|
Cc1cc(cnc1Cl)N1CC[C@H]2CN[C@H]2C1 |r|
Cc1cc(cnc1Cl)N1CC[C@@H]2CN[C@@H]2C1 |r|
N#Cc1cncc(c1)N1CC[C@H]2CN[C@H]2C1 |r|
N#Cc1cncc(c1)N1CC[C@@H]2CN[C@@H]2C1 |r|
COc1cncc(c1)N1CC[C@H]2CN[C@H]2C1 |r|
COc1cncc(c1)N1CC[C@@H]2CN[C@@H]2C1 |r|
COc1ccc(cn1)N1CC[C@H]2CN[C@H]2C1 |r|
COc1ccc(cn1)N1CC[C@@H]2CN[C@@H]2C1 |r|
CCOc1cncc(c1)N1CC[C@H]2CN[C@H]2C1 |r|
CCOc1cncc(c1)N1CC[C@@H]2CN[C@@H]2C1 |r|
Cc1cncc(c1)N1CC[C@@H]2CN[C@@H]2C1 |r|
[O-][N+](=O)c1ccc(cn1)N1CC[C@H]2CN[C@H]2C1 |r|
[O-][N+](=O)c1ccc(cn1)N1CC[C@@H]2CN[C@@H]2C1 |r|
COc1cc(cnc1Br)N1CC[C@H]2CN[C@H]2C1 |r|
COc1cc(cnc1Br)N1CC[C@@H]2CN[C@@H]2C1 |r|
Brc1ncc(cc1C#N)N1CC[C@H]2CN[C@H]2C1 |r|
ONC(=N)c1cncc(c1)N1CC[C@@H]2CN[C@@H]2C1 |r|
C1[C@@H]2CCNC[C@@H]2N1c1cccnc1 |r|
Clc1ccc(cn1)N1C[C@@H]2CCNC[C@H]12 |r|
Clc1ccc(cn1)N1C[C@H]2CCNC[C@@H]12 |r|
Clc1cc(cnc1Cl)N1C[C@@H]2CCNC[C@H]12 |r|
Clc1cc(cnc1Cl)N1C[C@H]2CCNC[C@@H]12 |r|
Cc1cc(cnc1Cl)N1C[C@@H]2CCNC[C@H]12 |r|
Cc1cc(cnc1Cl)N1C[C@H]2CCNC[C@@H]12 |r|
COc1cc(cnc1Br)N1C[C@@H]2CCNC[C@H]12 |r|
COc1cc(cnc1Br)N1C[C@H]2CCNC[C@@H]12 |r|
N#Cc1cncc(c1)N1C[C@@H]2CCNC[C@H]12 |r|
N#Cc1cncc(c1)N1C[C@H]2CCNC[C@@H]12 |r|
Brc1ncc(cc1C#N)N1C[C@@H]2CCNC[C@H]12 |r|
Brc1ncc(cc1C#N)N1C[C@H]2CCNC[C@@H]12 |r|
NC(=O)c1cc(cnc1Br)N1C[C@@H]2CCNC[C@H]12 |r|
NC(=O)c1cc(cnc1Br)N1C[C@H]2CCNC[C@@H]12 |r|
COc1cncc(c1)N1C[C@@H]2CCNC[C@H]12 |r|
COc1cncc(c1)N1C[C@H]2CCNC[C@@H]12 |r|
Brc1cc(cnc1Br)N1CC[C@H]2CN[C@H]2C1 |r|
C1[C@H]2CCNC[C@H]2N1c1cccnc1 |r|
CN1[C@@H](C[C@H](CN2CCCCC2)C1=O)C#Cc1ccccc1 |r|
CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccc2n(C)ccc2c1
CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccc2occc2c1
CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccc2OCCc2c1
C[C@H](OC(=O)N[C@@H]1CN2CCC1CC2)c1ccccc1F |r,wD:6.5,1.0,(32.55,-17.37,;32.55,-18.91,;33.89,-19.68,;35.22,-18.9,;35.21,-17.36,;36.56,-19.67,;37.89,-18.89,;37.87,-17.35,;39.21,-16.58,;40.54,-17.35,;40.54,-18.89,;39.22,-19.66,;38.48,-18.3,;39.97,-17.9,;31.22,-19.69,;31.23,-21.24,;29.89,-22.01,;28.56,-21.24,;28.56,-19.69,;29.89,-18.92,;29.88,-17.38,)|
C=COc1cncc(c1)N1CCNCC1
COc1cc(cnc1Br)N1CCNCC1
Clc1ncc(cc1Br)N1CCNCC1
Cc1ncc(cc1Cl)N1CCNCC1
Clc1cncc(c1)N1CCNCC1
Brc1ccc(cn1)N1CCNCC1
Clc1cc(cnc1Br)N1CCCNCC1
Clc1ncc(cc1Br)N1CCCNCC1
Oc1cc(cnc1I)N1CCCNCC1
C=COc1cncc(c1)N1CCCNCC1
NC(=O)c1cncc(c1)N1CCCNCC1
Oc1cncc(c1)N1CCCNCC1
COc1cncc(c1)N1CCCNCC1
CCSc1ccc(cn1)N1CCCNCC1
COc1ccc(cn1)N1CCCNCC1
COc1cc(cnc1Cl)N1CCCNCC1
C1CNCCN(C1)c1cnc2ccccc2c1
Brc1ncc(cc1OC=C)N1CCCNCC1
COCCOc1cncc(c1)N1CCCNCC1
Clc1cncc(OC2CCCNC2)c1
C1CNCC(C1)Oc1cccnc1
COc1cncc(c1)N1CCCNCCC1
C1CNCCCN(C1)c1cccnc1
Brc1ccc(cn1)N1CCCNCCC1
Clc1cncc(c1)N1CCCNCCC1
Brc1ncc(cc1OC=C)N1CCCNCCC1
Brc1cncc(c1)N1CCCNCCC1
C1CC(CN1)Oc1cccnc1
C1CC2NC1CC(=C2)c1cccnc1 |c:7,TLB:8:6:3:1.0,(15.36,3.68,;16.53,2.97,;15.55,4.31,;15.81,5.85,;14.76,5.01,;13,5.05,;12.74,3.5,;13.71,4.31,;11.4,2.74,;10.07,3.5,;8.74,2.73,;8.74,1.19,;10.07,.42,;11.41,1.19,)|
COc1cncc(c1)C1=CC2CCCC(C1)N2 |t:9|
C\C=C/Oc1cncc(c1)N1CCCNCC1
C1CC2CC(=CC(C1)N2)c1cccnc1 |c:4|
Cc1ccc(NC(=O)c2cc(c(s2)N2CCOCC2)-c2ccccc2)c(C)c1
NC1=NCCN1Cc1ccc(Cl)nc1 |t:1|
Clc1ccc(CN2CCSC2=N)cn1
CN(Cc1ccc(Cl)nc1)C(\C)=N\C#N
[O-][N+](=O)\C=C1/NCCN1Cc1ccc(Cl)nc1
Clc1ccc(Cn2ccsc2=N)cn1
[O-][N+](=O)\C=C1\NCCCN1Cc1ccc(Cl)nc1