2646 SMILES Strings for Histamine H1 receptor

Compound Name
SMILES String
CCOCCn1c(nc2ccccc12)C1CCN(CCO)CC1
CCOCCOCCN1CCC(CC1)c1nc2ccccc2n1CCOCC
CCOCCn1c(nc2ccccc12)C1CCN(CCCO)CC1
CCOCCn1c(nc2ccccc12)C1CCN(CCOC)CC1
CCOCCn1c(nc2ccccc12)C1CCN(CCOC(C)=O)CC1
OCCN1CCC(CC1)c1nc2ccccc2n1Cc1ccccn1
CCOCCn1c(nc2ccccc12)C1CCN(CCOCC(=O)OCC)CC1
COC(=O)COCCN1CCC(CC1)c1nc2ccccc2n1CCOc1ccccc1
CCOCCn1c(nc2ccccc12)C1CCN(CCc2ccc(cc2)C(C)(C)C)CC1
CCOCCn1c(nc2ccccc12)C1CCN(CCOc2ccc(CC(O)=O)cc2)CC1
OC(=O)Cc1ccc(OCCN2CCC(CC2)c2nc3ccccc3n2CCOc2ccccc2)cc1
OC(=O)c1ccc(OCCN2CCC(CC2)c2nc3ccccc3n2CCOc2ccccc2)cc1
CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1
[H][C@]12CCCC[C@@]1([H])C1=C(CCc3c(nc(N)nc13)N1CCNCC1)O2 |r,t:9|
[H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)C)[C@]2([H])CC[C@]13[H] |r,t:14|
O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1
S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
NCC1c2ccccc2Cc2ccccc12
CNCC1c2ccccc2Cc2ccccc12
CN(C)CC1c2ccccc2Cc2ccccc12
NCCC1c2ccccc2Cc2ccccc12
CNCCC1c2ccccc2Cc2ccccc12
CN(C)CCC1c2ccccc2Cc2ccccc12
NCCCC1c2ccccc2Cc2ccccc12
CNCCCC1c2ccccc2Cc2ccccc12
CN(C)CCCC1c2ccccc2Cc2ccccc12
NCC(c1ccccc1)c1ccccc1
CNCC(c1ccccc1)c1ccccc1
CN(C)CC(c1ccccc1)c1ccccc1
NCCC(c1ccccc1)c1ccccc1
CNCCC(c1ccccc1)c1ccccc1
CN(C)CCC(c1ccccc1)c1ccccc1
NCCCC(c1ccccc1)c1ccccc1
CNCCCC(c1ccccc1)c1ccccc1
CN(C)CCCC(c1ccccc1)c1ccccc1
[#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
C(N(Cc1ccccc1)c1ccccc1)C1=NCCN1 |t:17|
CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c3ccccc3
CN(C)CCOC(c1ccccc1)c1ccc(Br)cc1
CNC(=S)NCCCCc1cnc[nH]1
CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1
CN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl
CN(C)S(=O)(=O)c1ccc2Sc3ccccc3\C(=C\CCN3CCN(C)CC3)c2c1
[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16|
CN(C)CCC(c1ccc(Br)cc1)c1ccccn1
CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1
CNCCCN1c2ccccc2CCc3c1cccc3
CN(C)CCCSC(N)=N
CC(C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |c:2|
CN(C)CCOC(c1ccccc1)c2ccccc2
CN1CCC(CC1)OC(c1ccccc1)c1ccccc1
CN(C)CC/C=C\1/c2ccccc2COc3c1cccc3
CN1c2ccc(cc2C(=NCC1=O)c1ccccc1F)[N+]([O-])=O |c:9|
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F
NCCc1cnc[nH]1
CN(C)CCCN1c2ccccc2CCc3c1cccc3
CN(C)CCCn1c2CCCCCCc2c2ccccc12
OC(=O)C=CC(=O)Oc1ccc(Cl)cc1 |w:4.4|
CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C
Cc1cccc(CN2CCN(CC2)C(c2ccccc2)c2ccc(Cl)cc2)c1
CN(C)CCN(Cc1ccc(cc1)OC)c2ccccn2
CN(C)CCN(Cc1cccs1)c1ccccn1
CN1CCC(CN2c3ccccc3Sc3ccccc23)C1
CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3cn(c4c3c(ccc4)C2=C1)C)C
CNC(=S)NCCSCc1[nH]cnc1C
[#6]-[#7]-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
CN1CCC2=C(C1)C(c1ccccc21)c1ccccc1 |c:4|
Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10|
CN(C)CCCN1c2ccccc2Sc3c1cccc3
CC(CN1c2ccccc2Sc2ccccc12)N(C)C
CNCCCC1c2ccccc2C=Cc2ccccc12 |c:13|
CN(C)CCc1c[nH]c2c1c(ccc2)OP(=O)(O)O
C(CN1c2ccccc2Sc2ccccc12)N1CCCC1
CN1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1 |TLB:8:9:1:3.5.4,8:7:1:3.5.4,0:1:9.7:3.5.4,THB:10:4:9.7:1|
c1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCCC(=O)c4ccc(cc4)F
CN1CCCC[C@H]1CCN2c3ccccc3Sc4c2cc(cc4)SC
CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F
CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F
CC(CN(C)C)CN1c2ccccc2Sc2ccccc12
CN(C)CCN(Cc1ccccc1)c1ccccn1
Cc1ccc(cc1)C(=C/CN1CCCC1)\c1ccccn1
COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccccc1
CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N
NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCc1ccccc1 |w:14.15|
NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
C1CN(CCN1)c1cccc2OCCOc12
CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
c1ccc(cc1)CCCN2CCN(CC2)CCOC(c3ccc(cc3)F)c4ccc(cc4)F
CN1Cc2c(cccc2N)[C@@H](C1)c3ccccc3
CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC
CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(Br)c1OC
CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)ccc1OC
CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Br)c1OC
CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(CC)c1OC
CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
CCc1cc(c(c(c1O)C(=O)NC[C@@H]2CCC[N@]2CC)OC)Cl
CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8|
CN1CCCCC1CCN1c2ccccc2Sc2ccc(cc12)S(C)=O
CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)Cl
CN1CCN2c3ccccc3Cc4ccccc4[C@H]2C1
CN1CCN2C(C1)c1ccccc1Cc1cccnc21
COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
C[NH+](C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 |TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9|
CNCCC(Oc1ccccc1C)c1ccccc1
CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1 |THB:9:7:1:3.4|
CN1CCc2cc3c(cc2[C@H]1[C@H]4c5ccc6c(c5C(=O)O4)OCO6)OCO3
c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N
CNC(NC#N)=NCCSCc1[nH]cnc1C |w:6.6|
CCC1(C)CC(=O)NC1=O
CNCC[C@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F
COc1ccc2Sc3ccccc3N(C[C@@H](C)CN(C)C)c2c1
CNCCCC12CCC(c3ccccc13)c1ccccc21 |TLB:10:9:6.7:20.15,16:15:6.7:14.9,THB:13:14:6.7:20.15,19:20:6.7:14.9|
C(C1C[NH+]2CCC1CC2)N1c2ccccc2Sc2ccccc12 |THB:0:1:5.4:7.8,(14.51,-5.48,;15.79,-4.74,;17.21,-5.13,;17.6,-2.22,;20.16,-.74,;19.42,.54,;16.17,-1.84,;14.72,-.36,;16,.37,;14.51,-6.96,;15.79,-7.7,;17.11,-6.91,;18.45,-7.67,;18.45,-9.21,;17.11,-9.97,;15.79,-9.18,;14.51,-9.92,;13.22,-9.18,;11.9,-9.97,;10.56,-9.21,;10.56,-7.67,;11.9,-6.91,;13.22,-7.7,)|
[O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1 |t:11|
CCC[C@H](C)C1(C(=O)NC(=O)NC1=O)CC
CC(C)NC[C@@H](COc1cccc2c1cccc2)O
CN\C([CH-][N+]([O-])=O)=[NH+]/CCSCc1ccc(CN(C)C)o1
[#6]-[#7]-[#6](-[#7]C#N)=[#7]-[#6]-[#6]-[#16]-[#6]-c1csc(\[#7]=[#6](\[#7])-[#7])n1 |w:6.6|
CC(CN(C)C)CN1c2ccccc2CCc2ccccc12
CN1CCC[C@H]1c1cc(C)no1 |r|
CCCN(CCC)C1Cc2c[nH]c3ccc(C(C)=O)c(C1)c23
CN(C)Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12 |t:9|
N[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CC
COc1ccc(OC[C@H]2CN(C)CC[C@@H]2c2ccccc2)cc1
CN(CCCN1c2ccccc2CCc2ccccc12)CC(=O)c1ccc(Cl)cc1
CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
c1ccc(cc1)[C@H](CCN)Oc2ccc(cc2)C(F)(F)F
c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F
CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
Clc1cccc(c1)N1CCN(CCCn2nc3ccccn3c2=O)CC1
Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11|
OC(=O)COCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CCCCCCc2n1
Cc1ccc(cc1)C(OCC[N+](C)(C)C)c1ccccc1
Cc1ccc(Cc2cnc(NCCCCc3ncc(Br)cc3C)[nH]c2=O)cn1
NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12|
CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12
Cc1cc(NC(=O)Nc2ccc3n(C)ccc3c2)sn1
Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|
CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc21
OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|
CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)c4c5ccc(cc5on4)F
c1ccc(cc1)[C@@H](c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)O
c1ccc(cc1)[C@H](c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)O
CC(C)(C)c1ccc(cc1)[C@H](O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
COc1ccc(cc1)CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(cc5)F
Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1
Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
c1ccc2c(c1)c(ns2)N3CCN(CC3)CCc4cc5c(cc4Cl)NC(=O)C5
CN(C)CCOC1=Cc2ccccc2Sc3c1cc(cc3)Cl
NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1
CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
CN(C)C1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1
CC(O)c1nn(CCCN2CCN(CC2)c2ccc(Cl)cc2)c(=O)n1CCOc1ccccc1
Clc1cccc(c1)N1CCNCC1
Clc1cccc(c1)N1CCN(CCCn2[nH]c(=O)n(CCOc3ccccc3)c2=O)CC1
CCNC(=O)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25|
CN(C)CCC=C1c2ccccc2CSc2ccccc12 |w:5.4|
COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F
Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1
c1ccc2c(c1)NC(=O)N2C3CCN(CC3)CCCC(c4ccc(cc4)F)c5ccc(cc5)F
COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3
CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
COC(=O)COCCN1CCN(CC1)[C@H](c1ccccc1)c1ccc(Cl)cc1 |r|
COC(=O)COCCN1CCN(CC1)[C@@H](c1ccccc1)c1ccc(Cl)cc1 |r|
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)C(O)C1O |r|
CN(C)[C@H]1C[C@@H](c2ccccc2)c2ccccc2C1 |r|
CN(C)C1CC(c2ccccc2)c2ccccc2C1 |w:3.2,5.5|
CN(C)[C@@H]1C[C@H](c2ccccc2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@@H](c2ccccc2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@H](c2ccccc2)c2ccccc2C1 |r|
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|
[#6]-[#6](-[#6])-[#6](=O)[C@]12[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](=O)[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-[#6@H](-[#6]\[#6]=[#6](/[#6])-[#6])[C@@]1([#6])[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6]2=O |r,THB:38:37:6.8.14:22.23.29|
Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O
OCC1OC(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C(O)C1O
OCC1OC(O)C(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C1O
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O
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|
CNCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1
CN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r|
CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O)O
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5Cc6c7c(cccc7[nH]c6Br)C5=C4)C)O
CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(Cc3c[nH]c4cccc2c34)N(CC=C)C1
[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)NC(=O)N(CC)CC)c34 |r,c:12|
CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
C(N1CCN(CC1)c1ncccn1)c1ccc2OCOc2c1
CCCNC1CCc2nc(N)sc2C1
CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@@H]12
CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r|
CCCN(CCC)CCc1cccc2NC(=O)Cc12
Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 |c:15|
Nc1nc2CCN(CC=C)CCc2s1
CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
C[NH+](C)C1CCc2cc(O)c(O)cc2C1
CC(CN(C)C)CN1c2ccccc2Sc2ccc(cc12)C#N
CCn1c2nocc2c(=O)[nH]c1=O
C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12|
NCCc1nccs1
NCCc1cnc([nH]1)-c1cccc(Br)c1
NCCc1cnc([nH]1)-c1cccc(Cl)c1
NCCc1cnc([nH]1)-c1cccc(I)c1
NC(NCCCc1cnc[nH]1)=NCCC(c1ccc(F)cc1)c1ccccn1 |w:11.12|
NC(NCCCc1cnc[nH]1)=NCCC(c1cccc(Cl)c1)c1ccccn1 |w:11.12|
CN(C)CCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
CNCCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
Cc1ccc(cc1)C(=CCN1CCCC1)c1ccccn1 |w:8.9|
c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4
CN(C)S(=O)(=O)c1ccc2Sc3ccccc3C(=CCCN3CCN(C)CC3)c2c1 |w:18.19|
Clc1cc(Cl)cc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)c1
NC(CSSCC(N)C(O)=O)C(O)=O
N[C@H](CCS(O)(=O)=O)C(O)=O |r|
N[C@H](CCS(O)=O)C(O)=O |r|
N[C@@H]1CCSC1=O |r|
CSCC[C@H](C(=O)O)N
C(CS(=O)(=O)O)[C@@H](C(=O)O)N
C(CS)[C@@H](C(=O)O)N
C([C@H](C(=O)O)N)S(=O)(=O)O
C([C@@H](C(=O)O)N)S
NC(CS(O)=O)C(O)=O
C(CS(=O)(=O)O)[C@@H](C(=O)O)N
N[C@@H](CCS(O)=O)C(O)=O |r|
N[C@H]1CCSC1=O |r|
CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
C[C@@H](Cc1ccc2c(c1)OCO2)NC
O=C(CCCCC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N |r|
CC(C)(C)CCC#C[C@@H]1C[C@H]1c1cnc[nH]1
CC(C)C(=O)N(C1CC(C)N(C(=O)c2ccccc2)c2ccccc12)c1ccccc1
CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12
CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
ONC=Nc1ccc(N2CCOCC2)c(Cl)c1 |w:3.3|
COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
NC(NC(=O)CCCCc1ccccc1)=NCCCc1cnc[nH]1 |w:15.16|
CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)C1CCCCC1 |w:8.8|
CC(C1CCCCC1)C(=O)NC(N)=NCCCc1cnc[nH]1 |w:13.14|
NC(NC(=O)CC1CCCCC1)=NCCCc1cnc[nH]1 |w:12.13|
NC(NC(=O)CCCC1CCCCC1)=NCCCc1cnc[nH]1 |w:14.15|
NC(NC(=O)CCCc1ccccc1)=NCCCc1cnc[nH]1 |w:14.15|
CC(C(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |w:7.7|
CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Fc1cccc(OC(C2CNCCO2)c2ccccc2)c1F
C1Cc2cccc(OC(C3CNCCO3)c3ccccc3)c2O1
Fc1ccc(OC(C2CNCCO2)c2ccccc2)c(Cl)c1
COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
COc1cc(F)ccc1OC(C1CNCCO1)c1ccccc1
Cc1cc(F)ccc1OC(C1CNCCO1)c1ccccc1
CCCc1ccc2n(CCN3CCCCCC3)c(=O)sc2c1
CS(=O)(=O)c1ccc2Sc3ccccc3N(CCCN3CCC(CC3)C(O)=N)c2c1
CS(=O)(=O)c1ccc2Sc3ccccc3N(CCCN3CCC(CC3)C(O)=O)c2c1
O=[#6]-1-[#6]-c2ccccc2\[#6](-c2ccsc-12)=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1
[#8]-[#6@@H]-1-[#6]-c2ccccc2\[#6](-c2ccsc-12)=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1 |r|
[#8]-[#6@H]-1-[#6]-c2ccccc2\[#6](-c2ccsc-12)=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1 |r|
[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccsc2-[#6](=O)-[#6]-c2ccccc-12
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2/[#6]-[#6]-[#7]-[#6]-[#6]-2)c1
[#6]-[#8]-[#6@@H]-1-[#6]-c2ccccc2\[#6](-c2ccsc-12)=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1 |r|
[#6]-[#8]-[#6@H]-1-[#6]-c2ccccc2\[#6](-c2ccsc-12)=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1 |r|
Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
CN1CCc2ccc(OCC(O)CN3CCC(CC3)c3noc4cc(F)ccc34)cc2C1=O
CN1CCc2ccc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2C1=O
CCN1CCc2ccc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2C1=O
CN1CCc2c(C)cc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2C1=O
CN1CCc2c(F)cc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2C1=O
CC1CN(C)C(=O)c2cc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)ccc12
CN1COc2ccc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2C1=O
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc3CCNC(=O)c3c2)CC1
CN1CCc2ccc(OCCCN3CCN(CC3)c3nsc4ccccc34)cc2C1=O
CN1CCc2ccc(OCCCN3CCN(CC3)c3ccccc3F)cc2C1=O
COc1ccccc1N1CCN(CCCOc2ccc3CCN(C)C(=O)c3c2)CC1
CN1CCc2ccc(OCCCN3CCN(CC3)c3ncccn3)cc2C1=O
CN1CCc2ccc(OCCCN3CCC(CC3)C(=O)c3ccc(F)cc3)cc2C1=O
Cn1cnc2ccc(OCCCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)cc2c1=O
Cc1nc2ccc(OCCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)cc2c(=O)n1C
Clc1cccc(N2CCN(CCCOc3ccc4CCNC(=O)c4c3)CC2)c1Cl
CN1CCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O
O=C1NCCc2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc12
Cn1c2ccc(OCCCN3CCN(CC3)c3cccc4sccc34)cc2c(=O)n(C)c1=O
FC1=CC2ON=C(C2C=C1)C1CCN(CCCOc2ccc3NC(=O)CCc3c2)CC1 |c:5,9,t:1|
Cc1ccc2c(Oc3cc(Cl)ccc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)c1 |c:15|
Cc1ccc2c(Oc3cc(Cl)ccc3N=C2N2CCN(CC3(CC3)C(O)=O)CC2)c1 |c:15|
CC(C)c1ccc2c(Oc3cc(Cl)ccc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)c1 |c:17|
CCc1ccc2c(Oc3cc(C)ccc3N=C2N2CCN(CC3(CC3)C(O)=O)CC2)c1 |c:16|
CCc1ccc2c(Oc3cc(Cl)ccc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)c1 |c:16|
Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3ccc(cc3Oc2c1)C(F)F |t:5|
CSc1ccc2c(Oc3cc(Cl)ccc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)c1 |c:16|
Cc1ccc2c(Oc3cc(ccc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)C(F)F)c1 |c:14|
CCCc1ccc2c(Oc3cc(Cl)ccc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)c1 |c:17|
Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3ccc(F)cc3Oc2c1 |t:5|
Cc1ccc2c(Oc3cc(F)ccc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)c1 |c:15|
Cc1ccc2c(Oc3cc(F)ccc3N=C2N2CCN(CC3(CC3)C(O)=O)CC2)c1 |c:15|
Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3ccc(C)cc3Oc2c1 |t:5|
Cc1ccc2N=C(N3CCN(CC4(CC4)C(O)=O)CC3)c3ccc(F)cc3Oc2c1 |t:5|
CC(C)(CN1CCN(CC1)C1=Nc2ccccc2Cc2ccccc12)C(O)=O |t:11|
COc1ccc2c(Oc3cc(Cl)ccc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)c1 |c:16|
Cc1ccc2N=C(N3CCN(CC4(CC4)C(O)=O)CC3)c3ccc(C)cc3Oc2c1 |t:5|
COc1ccc2c(Oc3cc(F)ccc3N=C2N2CCN(CC(C)(C)C(O)=O)CC2)c1 |c:16|
OC(=O)C1(CN2CCN(CC2)C2=Nc3ccc(F)cc3Oc3cc(F)ccc23)CC1 |t:12|
CC(C)(CN1CCN(CC1)C1=Nc2ccccc2Cc2cc(F)ccc12)C(O)=O |t:11|
CC(C)(CN1CCN(CC1)C1=Nc2ccc(F)cc2Oc2cc(F)ccc12)C(O)=O |t:11|
Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3ccccc3Cc2c1 |t:5|
OC(=O)C1(CN2CCN(CC2)C2=Nc3ccccc3Cc3ccccc23)CC1 |t:12|
CC(C)(CN1CCN(CC1)C1=Nc2ccccc2Oc2cccc(F)c12)C(O)=O |t:11|
CC(CN1CCC(CC1)C1=Nc2ccccc2Cc2ccccc12)C(O)=O |t:10|
CC(C)COc1ccc(cc1)CNC(=O)N(Cc2ccc(cc2)F)C3CCN(CC3)C
CN(C)[C@H]1C[C@@H](c2cccc(Br)c2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(Br)c2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@@H](c2cccc(Cl)c2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(Cl)c2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@@H](c2cccc(F)c2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(F)c2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@@H](c2cccc(c2)-c2cccs2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@H](c2cccc(c2)-c2cccs2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@@H](c2cccc(c2)-c2cccs2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(c2)-c2cccs2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@H](c2cccc(c2)-c2ccco2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(c2)-c2ccco2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@H](c2cccc(c2)-c2ccncc2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(c2)-c2ccncc2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@@H](c2cccc(c2)-c2ccccc2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@H](c2cccc(c2)-c2ccccc2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@@H](c2cccc(c2)-c2ccccc2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(c2)-c2ccccc2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@@H](c2cccc(c2)-c2ccccc2F)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@H](c2cccc(c2)-c2ccccc2F)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(c2)-c2ccccc2F)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@@H](c2cccc(c2)-c2cccc(F)c2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@H](c2cccc(c2)-c2cccc(F)c2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@@H](c2cccc(c2)-c2cccc(F)c2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(c2)-c2cccc(F)c2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@@H](c2cccc(c2)-c2ccc(F)cc2)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@H](c2cccc(c2)-c2ccc(F)cc2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(c2)-c2ccc(F)cc2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(c2)-c2ccc(Cl)cc2)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@@H](c2cccc(c2)-c2ccc(cc2)N(C)C)c2ccccc2C1 |r|
CN(C)[C@H]1C[C@H](c2cccc(c2)-c2ccc(cc2)N(C)C)c2ccccc2C1 |r|
CN(C)[C@@H]1C[C@H](c2cccc(c2)-c2ccc(cc2)N(C)C)c2ccccc2C1 |r|
CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1[N@](C2)CCc4c3[nH]c5c4cc(cc5)OC
COc1cc(CC(C)N)c(OC)cc1Br
CNC(C)Cc1ccc2c(c1)OCO2
COc1cc(cc(c1OC)OC)CCN
COc1cc(CCN)c(OC)cc1Br
CN(C)CCc1c[nH]c2c1c(ccc2)O
CCc1cc(OC)c(CCN)cc1OC
CCSc1cc(OC)c(CCN)cc1OC
CCSc1cc(OC)c(CC(C)N)cc1OC
CCOc1cc(OC)c(CC(C)N)cc1OC
COc1ccc2[nH]cc(CCN(C)C(C)C)c2c1
CC(C)N(CCc1c[nH]c2ccccc12)C(C)C
COc1ccc2[nH]cc(CCN(C(C)C)C(C)C)c2c1
CCCN(CCC)CCc1c[nH]c2ccccc12
CCSc1cc(OC)c(CC(N)CC)cc1OC
CN(C)CCc1c[nH]c2cc(F)ccc12
NCCc1c2CCOc2c(Br)c2CCOc12
COc1cc(CC(C)N)c(OC)cc1C
COc1cc(CC(C)N)cc(OC)c1OC
CCc1cc(OC)c(CC(C)N)cc1OC
COc1cc(OC)c(OC)cc1CC(C)N
CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C
C[C@@H]1C[C@H](C)N1C(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
C[C@@H]1C[C@@H](C)N1C(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
C[C@@H]1C[C@@H](C)N1C(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
COc1ccc2[nH]c(C)c(CCN(C)C)c2c1
CCc1[nH]c2ccc(OC)cc2c1CCN(C)C
[#6]C([#6])([#6])[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cc(F)ccc2-[#6]-[#6]-c2cccnc-12
[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cc(Cl)c(Cl)cc2-[#6]-[#6]-c2cccnc-12
[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cc(Cl)ccc2-[#6]-[#6]-c2cccnc-12
[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(F)cc2-[#6]-[#6]-c2cccnc-12
[#6]-[#8]-c1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](-[#6])=O)c1
CN(CC\C=C1/c2ccc(Cl)cc2CCc2cccnc12)C(C)=O
[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-c2ccccc2)c1
[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cc(F)c(F)cc2-[#6]-[#6]-c2cccnc-12
[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(-[#6])cc2-[#6]-[#6]-c2cccnc-12
[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]-[#6]-c2cccnc-12
CC(=O)C1CCC(CC1)=C1c2ccc(Cl)cc2CCc2cccnc12 |(9.33,-15.2,;8.01,-14.43,;6.66,-15.18,;8.01,-12.89,;9.36,-12.16,;9.4,-10.62,;8.08,-9.84,;6.75,-10.57,;6.72,-12.09,;8.11,-8.3,;9.61,-7.63,;10.74,-8.72,;12.26,-8.29,;12.61,-6.76,;14.11,-6.34,;11.48,-5.67,;9.99,-6.12,;9.09,-5.01,;7.55,-5.01,;6.47,-6.11,;5.02,-5.62,;3.89,-6.62,;4.18,-8.13,;5.62,-8.62,;6.78,-7.62,)|
[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]-[#6]-c2cccnc-12
[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(-[#8])cc2-[#6]-[#6]-c2cccnc-12
CN(CC\C=C1\c2ccc(Cl)cc2CCc2cccnc12)C(C)=O
Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]=O)c1
[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/c1ccc(Cl)cc1)-c1ccccn1
[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
CN(C)CCC(c1ccc(Cl)cc1)c1ccc(Cl)cn1
CN(C)CC[C@@H]1CN(C)C(=S)c2cccnc2O1
CN(C)CCC(c1ccccn1)c1ccc(Cl)cn1
CN(C)CC[C@H]1CN(C)C(=S)c2cc(Cl)cnc2O1
CN(C)CC[C@H]1CN(C)C(=S)c2cccnc2O1
CN(C)CC[C@@H]1CN(C)C(=S)c2cc(Cl)cnc2O1
CN1C[C@@H](CCN2CCC2)Oc2ncc(Cl)cc2C1=S
CN1C[C@H](CCN2CCC2)Oc2ncc(Cl)cc2C1=S
C[C@@H](C(c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3
Cc1ccc(cc1C)N1CCN(Cc2nc3ccccc3[nH]2)CC1
c1ccc2c(c1)CCO[C@H]2CCN3CCN(CC3)c4ccc(cc4)S(=O)(=O)N
c1cc(cc(c1)Cl)CCNCCc2ccc3ccc(nc3c2)N
Cc1nc2CCCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Cc1nc2C(F)CCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Cc1nc2n(CCCC2(F)F)c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Cc1nc2ccccn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
Cc1nc2C(O)CCCn2c(=O)c1CCN1CCN(CC1)c1cccc2sccc12
CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2ccccc12 |r,wU:27.28,wD:29.33,(8.76,1.15,;7.67,.06,;6.19,.46,;7.28,1.55,;8.07,-1.42,;6.98,-2.51,;6.59,-4,;8.07,-3.6,;5.5,-2.11,;5.1,-.63,;3.61,-.23,;2.52,-1.32,;1.03,-.92,;.56,.55,;-.98,.55,;-1.46,-.92,;-.21,-1.82,;-.21,-3.36,;-1.55,-4.13,;-2.88,-3.36,;-4.21,-4.13,;-4.21,-5.67,;-2.88,-6.44,;-1.55,-5.67,;-2.07,1.64,;-1.67,3.12,;-3.56,1.24,;-4.65,2.33,;-6.19,2.33,;-6.19,3.87,;-4.65,3.87,;-7.28,4.96,;-6.88,6.44,;-8.76,4.56,;2.92,-2.8,;1.83,-3.89,;2.23,-5.38,;3.72,-5.78,;4.81,-4.69,;4.41,-3.2,)|
Cc1ccn(CCN2CCC(Cc3ccccc3F)CC2)n1
CN(C[C@@H]1Cc2ccccc2O1)Cc1nc(oc1C)-c1ccc(C)s1 |r|
Clc1cncc(NCCCN2CCN(CC2)c2ccccc2)n1
CCN1CCN(CCCNC(=O)c2ccc(F)cc2Cl)CC1
C(N1CCCN(CC1)c1nccs1)c1coc(n1)-c1ccccc1
Fc1ccccc1N1CCN(CCCNc2cncc(Cl)n2)CC1
COC[C@@H](C)N1CCN(CC1)c1cccc(F)c1C#N |r|
CC(C)(C)c1nc(CN2CCN(Cc3ccccn3)CC2)cs1
Clc1cncc(NCCCCN2CCN(CC2)c2ccccc2)n1
Cc1ccc(s1)-c1cc(n[nH]1)C(=O)NCCCCN1CCOCC1
CN1CCN(CCCCNC(=O)c2cn3ccccc3n2)CC1
CN(C[C@@H]1Cc2ccccc2O1)Cc1nc(oc1C)-c1ccco1 |r|
CCN(CCc1ccccn1)Cc1csc(n1)C1CCCC1
OCC(=O)NC[C@H]1CCN(Cc2csc(n2)-c2ccccc2)C1 |r|
COc1ccc(cc1C)-c1nc(CN(C)C[C@@H]2Cc3ccccc3O2)c(C)o1 |r|
Cc1oc(nc1CN1CCO[C@H](CCN)C1)-c1ccc2ccccc2c1 |r|
Cc1oc(nc1CN1CCN(CC1)[C@@H]1CCc2ccccc2C1)-c1ccco1 |r|
CC(C)c1nc(CN2CC[C@@H](C2)c2ccccc2)cs1 |r|
CCCc1nc(CN2CC[C@@H](C2)c2ccccc2)cs1 |r|
Cc1cccc(c1)N1CCN(CCNc2cncc(Cl)n2)CC1
Fc1ccc(cc1)N1CCN(CCNc2cncc(Cl)n2)CC1
CN1CCN(CCCNC(=O)c2cc(=O)c3ccccc3[nH]2)CC1
CN1CCN(CC1)c1ccccc1CNC(=O)c1ccccc1Cl
CN1CCN(CCCNC(=O)c2ccc3N(CCc3c2)C(C)=O)CC1
Clc1ccccc1OCCCCN1CCNCC1
N#Cc1c(CN2CCN(CCc3ccccc3)CC2)cn2ccccc12
O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1nccs1
C[C@H](CNc1cncc(Cl)n1)N1CCN(CC1)c1ccccc1 |r|
Cc1cc(C)n(n1)C1CN(CCCc2nc(no2)-c2ccccc2)C1
CCOc1ccc(cc1)[C@H](O)CN1CCN(CC1)c1ccccc1F |r|
O[C@@H](COC[C@@H]1CCCO1)CN1CCN(CC1)c1ccccc1F |r|
Cc1[nH]ncc1C(=O)NCCCN1CCN(CC1)c1cccc(C)c1
CN(C[C@@H]1Cc2ccccc2O1)Cc1nc(oc1C)-c1cccc(F)c1F |r|
C[C@H]1CN(CCCNC(=O)CN2CCc3ccccc3C2)C[C@@H](C)O1 |r|
CO[C@@H]1CCCN(Cc2nc(oc2C)-c2cccc(Oc3ccccc3)c2)C1 |r|
CN(C)Cc1cccc(CN\C=C2\C(=O)NC(=O)c3ccccc23)c1
COC(=O)c1ccc(cc1)-c1nc(CN(C)C[C@@H]2Cc3ccccc3O2)c(C)o1 |r|
O=c1[nH]c2ccccc2n1CCCN1CCN(CC1)C(c1ccccc1)c1ccccc1
COc1cc(ccc1OCCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1)C(C)=O
COc1cc(ccc1OCCCN1CCC(CC1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1)C(C)=O
COC(=O)c1ccc(OCCCN2CCC(CC2)C(O)(c2ccc(F)cc2)c2ccc(F)cc2)cc1
CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
CCOC(=O)c1ccc(OCCCN2CCC(CC2)C(O)(c2ccc(F)cc2)c2ccc(F)cc2)cc1
CC(=C)CN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1
C(N1CCc2cc(ccc2C1)N1CCOCC1)c1ccccc1
O=C(OCc1ccccc1)N1CCc2ccc(cc2C1)N1CCN(CC1)C1CCCC1
CCOC(=O)CCN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
CN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1
O=C(OCc1ccccc1)N1Cc2ccc(cc2C1)N1CCN(CC1)C1CCCC1
CCOC(=O)CCN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1
CC(=C)CN1CCN(CC1)c1ccc2CCN(Cc2c1)C(=O)OCc1ccccc1
CNC(=O)c1cc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)ccn1
CNC(=O)c1cc(OCCCCN2CCN(CC2)c2cccc3sccc23)ccn1
CNC(=O)c1cc(OCCCCN2CCN(CC2)c2nsc3ccccc23)ccn1
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1cccc2sccc12
[H][C@]12CC[C@]([H])(C1)[C@]1([H])C(=O)N(CCCCN3CCN(CC3)c3cccc4sccc34)C(=O)[C@]21[H] |r|
CCC1(C)CC(=O)N(CCCCN2CCN(CC2)c2cccc3sccc23)C(=O)C1
[H][C@]12C[C@]([H])(C=C1)[C@@]1([H])C(=O)N(CCCCN3CCN(CC3)c3cccc4sccc34)C(=O)[C@@]21[H] |r,c:5|
Oc1ccc2c(c1)[nH]c(=O)n(CCN1CCC(CC1)C(=O)c1ccc(F)cc1)c2=O
c1cc(ccc1C(CCCN2CCC(CC2)(c3ccc(c(c3)C(F)(F)F)Cl)O)c4ccc(cc4)F)F
OC1(CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
COc1ccc(cc1)N(CCCCN1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F)c1ccc(OC)cc1
[#8]C1([#6]-[#6]-[#7](-[#6]-[#6]-[#6]\[#6]=[#6](/c2ccc(F)cc2)-c2ccc(F)cc2)-[#6]-[#6]1)c1ccc(Cl)c(c1)C(F)(F)F
OC1(CCN(CCCCCc2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 |(29.98,-5.28,;29.99,-6.82,;28.67,-7.59,;28.68,-9.13,;27.35,-9.9,;27.36,-11.44,;28.69,-12.2,;28.7,-13.75,;27.36,-14.52,;26.03,-13.75,;24.57,-14.23,;23.66,-13,;24.55,-11.74,;26.02,-12.21,;30.02,-9.9,;31.35,-9.12,;31.34,-7.58,;32.66,-6.8,;34,-7.57,;34.01,-9.11,;35.33,-6.79,;35.32,-5.25,;33.97,-4.49,;33.64,-2.99,;32.12,-2.84,;31.5,-4.24,;32.64,-5.27,)|
OC(CCCN1CCC(CC1)c1noc2cc(F)ccc12)c1cc2CCN3c2c(CCC3=O)c1
Fc1ccc2c(noc2c1)C1CCN(CCCC(=O)c2cc3CCN4c3c(CCC4=O)c2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCCc2cc3CCN4c3c(CCC4=O)c2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCCC(=O)c2cc3CCN4c3c(CCC4=O)c2)CC1
OC(CCCCN1CCC(CC1)c1noc2cc(F)ccc12)c1cc2CCN3c2c(CCC3=O)c1
NCCc1c[nH]c(n1)-c1ccccc1
NCCc1c[nH]c(n1)-c1cccs1
NCCc1c[nH]c(Cc2cccs2)n1
NCCc1cnc([nH]1)-c1cccc(c1)C(F)(F)F
NCCc1c[nH]c(n1)-c1cccc(Br)c1
NCCc1c[nH]c(n1)-c1ccc[nH]1
NCCc1c[nH]c(Cc2ccsc2)n1
NCCc1c[nH]c(n1)-c1csc(Br)c1
NCCc1c[nH]c(n1)-c1ccco1
NCCc1c[nH]cn1
NCCc1c[nH]c(n1)-c1cccc(I)c1
NCCc1c[nH]c(n1)-c1ccsc1
NCCc1c[nH]c(Cc2ccccc2Cl)n1
NCCc1c[nH]c(Cc2cccc(Cl)c2)n1
CC(C1=C(CCN(C)CCF)Cc2ccccc12)c1ccccn1 |c:2|
CC(C)N(CCC1=C(C(C)c2ccccn2)c2ccccc2C1)C(C)C |c:6|
C[C@@H](C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |c:2|
C[C@H](C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |r,c:2|
CC(C1=C(CN(C)C)Cc2ccccc12)c1ccccn1 |c:2|
CC(C1=C(CCN(C)C)Cc2cc(Cl)ccc12)c1ccccn1 |c:2|
CN1CCC(Cc2c[nH]cn2)CC1
NCCc1c[nH]c(n1)C(=O)CC(c1ccccc1)c1ccccc1
Fc1ccc2[nH]cc(C3=CCN(CCCCN4C(=O)c5ccccc5C4=O)CC3)c2c1 |t:8|
CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
C[C@H]1Oc2c(NC1=O)cccc2N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl
CN1CCN(CC1)c1nc2ccccc2nc1Cc1ccccc1
OC(COc1ccc2c(cc(=O)oc2c1)-c1ccccc1)CN1CCN(CC1)c1ccccc1
OC(COc1ccc2c(cc(=O)oc2c1)-c1ccccc1)CN1CCCCC1
CCN(CC)CC(O)COc1ccc2c(cc(=O)oc2c1)-c1ccccc1
CCCNCC(O)COc1ccc2c(cc(=O)oc2c1)-c1ccccc1
COc1ccccc1N1CCN(CC(O)COc2ccc3oc(=O)cc(C)c3c2)CC1
Cc1cc(=O)oc2ccc(OCC(O)CN3CCCCC3)cc12
COc1ccccc1N1CCN(CC(O)COc2ccc3c(cc(=O)oc3c2)-c2ccccc2)CC1
OC(COc1ccc2c(cc(=O)oc2c1)-c1ccccc1)CN1CCOCC1
Cc1cc(=O)oc2ccc(OCC(O)CN3CCN(CC3)c3ccccc3)cc12
CN1CCN(CC(O)COc2ccc3oc(=O)cc(C)c3c2)CC1
CCN(CC)CC(O)COc1ccc2oc(=O)cc(C)c2c1
OC(COc1ccc2c(cc(=O)oc2c1)-c1ccccc1)CN1CCNCC1
CN(C)CCC(c1ccccc1)c1ccccn1
CN1CCC(CC1)C(=N\O)\c1nc2cc(Cl)ccc2[nH]1
CN1CCC(CC1)C(=N\O)\c1cc2cc(C)ccc2[nH]1
Cc1ncc(CCN)[nH]1
Cc1c(sc(n1)N)CCN
CN1CCN(CC1)C(=N/O)\c1cc2cc(Cl)ccc2[nH]1
CN1CCC(CC1)C(=N\O)\c1cc2ccccc2[nH]1
COC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
OC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
CC(CO)(CO)NCCCN1C(=O)c2ccccc2C1=O
O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]/[#7]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6](=O)-[#7]-1
[#6]C([#6])([#6]-[#8])[#7]\[#6]=[#6]-1\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-1=O
O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]\[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]2)-[#6](=O)-[#7]-1
CC(CO)(CO)Nc1nc2ccccc2[nH]1
Cc1ccc(cc1)C(=C/CN1CCCC1)\c1cccc(\C=C\C(O)=O)n1
[#8]-[#6](=O)-c1cc(=O)c2cc(-[#8]-[#6]-[#6]-[#6]-[#7]-3-[#6]-[#6]\[#6](-[#6]-[#6]-3)=[#6](\c3ccccc3)-c3ccccc3)ccc2o1
O=c1cc(oc2cc(OCCCN3CCC(CC3)=C(c3ccccc3)c3ccccc3)ccc12)-c1nnn[nH]1 |(14.91,3.37,;14.91,1.83,;16.23,1.06,;16.23,-.47,;14.91,-1.24,;13.58,-.47,;12.25,-1.24,;10.92,-.47,;9.58,-1.24,;9.57,-2.78,;8.24,-3.55,;8.24,-5.1,;6.91,-5.87,;6.91,-7.41,;5.59,-8.18,;4.24,-7.41,;4.24,-5.87,;5.57,-5.1,;2.89,-8.18,;1.54,-7.41,;1.54,-5.87,;.22,-5.1,;-1.12,-5.87,;-1.12,-7.41,;.22,-8.18,;2.89,-9.73,;4.22,-10.5,;4.22,-12.04,;2.89,-12.81,;1.56,-12.04,;1.56,-10.5,;10.92,1.06,;12.25,1.83,;13.58,1.06,;17.58,-1.24,;18.96,-.57,;20.03,-1.68,;19.31,-3.03,;17.79,-2.78,)|
NC(=O)c1c(nc2sc3cc(Cl)ccc3n2c1=O)N1CCCC1
NC(=O)c1c(nc2sc3ccccc3n2c1=O)N1CCCCC1
NC(=O)c1c(nc2sc3cc(Cl)ccc3n2c1=O)N1CCN(CCO)CC1
CCN1CCN(CC1)c1nc2sc3cc(Cl)ccc3n2c(=O)c1C(N)=O
CN1CCN(CC1)c1nc2sc3cc(Cl)ccc3n2c(=O)c1C(N)=O
NC(=O)c1c(nc2sc3cc(Cl)ccc3n2c1=O)N1CCOCC1
NC(=O)c1c(nc2sc3ccccc3n2c1=O)N1CCN(CCO)CC1
CN1CCN(CC1)c1nc2sc3ccccc3n2c(=O)c1C(N)=O
NC(=O)c1c(nc2sc3ccccc3n2c1=O)N1CCCC1
NC(=O)c1c(nc2sc3ccccc3n2c1=O)N1CCOCC1
NC(=O)c1c(nc2sc3cc(Cl)ccc3n2c1=O)N1CCCCC1
CCN1CCN(CC1)c1nc2sc3ccccc3n2c(=O)c1C(N)=O
CN(C)CCNc1nc2sc3cc(Cl)ccc3n2c(=O)c1C(N)=O
CN(C)CCNc1nc2sc3ccccc3n2c(=O)c1C(N)=O
C[C@@H]1NCC[C@H]1c1cnc[nH]1
C[C@H]1NCC[C@@H]1c1cnc[nH]1
C[C@@H](N)Cc1cnc[nH]1 |r|
OC(=O)c1ccc2OCc3ccccc3C(SCCN3CCC(CC3)c3ccccc3)c2c1
OC(=O)c1ccc2OCc3ccccc3C(SCCN3CCN(CC3)c3ccc(F)cc3)c2c1
OC(=O)c1ccc2OCc3ccccc3C(SCCN3CCC(CC3)n3c4ccccc4[nH]c3=O)c2c1
OC(=O)c1ccc2OCc3ccccc3C(SCCN3CCc4ccccc4C3)c2c1
OC(=O)c1ccc2OCc3ccccc3C(SCCN3CCN(Cc4ccccc4)CC3)c2c1
OC(=O)Cc1ccc2OCc3ccccc3C(SCCN3CCC(Cc4ccccc4)CC3)c2c1
OC(=O)c1ccc2OCc3ccccc3C(SCCN3CCN(CC3)c3ccccc3)c2c1
[O-]C(=O)c1ccc2OCc3ccccc3C(SCCN3CCC(Cc4ccccc4)CC3)c2c1
CC(C)(C(O)=O)c1ccc2OCc3ccccc3C(SCCN3CCC(Cc4ccccc4)CC3)c2c1
OC(=O)CCc1ccc2OCc3ccccc3C(SCCN3CCC(Cc4ccccc4)CC3)c2c1
OC(=O)c1ccc2OCc3ccccc3C(SCCN3CCOCC3)c2c1
CN(C)C\C=C1/c2ccccc2COc2ccc(CC(O)=O)cc12
OC(=O)Cc1ccc2OCc3ccccc3\C(=C/CN3CCC(Cc4ccccc4)CC3)c2c1
CN(C)CCSC1c2ccccc2COc2ccc(cc12)C(O)=O
OC(=O)Cc1ccc2OCc3ccccc3\C(=C\CN3CCC(Cc4ccccc4)CC3)c2c1
Cc1nccn1CC2CCc3c(c4ccccc4n3C)C2=O
Cc1nccn1C[C@H]1CCc2c(C1=O)c1cccc3CCCn2c13
O=C(NCc1cccc(CNC(=O)OCCCc2cnc[nH]2)c1)OCCCc1cnc[nH]1
C[C@@H](NC(=O)OCCCc1cnc[nH]1)c1ccccc1
FC(F)(F)c1ccc(CNC(=O)OCCCc2cnc[nH]2)cc1
O=C(NCC1CCCC1)OCCCc1cnc[nH]1
CN(Cc1ccccc1)C(=O)OCCCc1cnc[nH]1
FC(F)(F)c1cccc(NC(=O)OCCCc2cnc[nH]2)c1
FC(F)(F)c1ccccc1NC(=O)OCCCc1cnc[nH]1
O=C(Nc1ccccc1)OCCCc1cnc[nH]1
Fc1ccc(NC(=O)OCCCc2cnc[nH]2)cc1
O=C(NCc1ccccc1)OCCCc1cnc[nH]1
[O-][N+](=O)c1cccc(NC(=O)OCCCc2cnc[nH]2)c1
CCN(Cc1ccccc1)C(=O)OCCCc1cnc[nH]1
Ic1ccc(NC(=O)OCCCc2cnc[nH]2)cc1
Brc1ccc(NC(=O)OCCCc2cnc[nH]2)cc1
O=C(NCC1CCCCC1)OCCCc1cnc[nH]1
O=C(NCc1ccco1)OCCCc1cnc[nH]1
O=C(NCCCc1ccccc1)OCCCc1cnc[nH]1
Ic1ccc(CNC(=O)OCCCc2cnc[nH]2)cc1
O=C(NCC1CCC1)OCCCc1cnc[nH]1
O=C(NN1CCC(CC1)c1ccccc1)OCCCc1cnc[nH]1
Nc1ccc(CNC(=O)OCCCc2cnc[nH]2)cc1
Clc1ccc(CNC(=O)OCCCc2cnc[nH]2)cc1
Fc1ccc(CNC(=O)OCCCc2cnc[nH]2)cc1
[O-][N+](=O)c1cccc(CNC(=O)OCCCc2cnc[nH]2)c1
[O-][N+](=O)c1ccc(CNC(=O)OCCCc2cnc[nH]2)cc1
O=C(Nc1ccc2ccccc2c1)OCCCc1cnc[nH]1
O=C(NCCc1ccccc1)OCCCc1cnc[nH]1
Clc1ccc(NC(=O)OCCCc2cnc[nH]2)cc1
[O-][N+](=O)c1ccccc1NC(=O)OCCCc1cnc[nH]1
[O-][N+](=O)c1ccc(NC(=O)OCCCc2cnc[nH]2)cc1
FC(F)(F)c1ccc(NC(=O)OCCCc2cnc[nH]2)cc1
COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N |r|
CC[C@H]1c2cc(C)ccc2OC[C@@]1(C)N |r|
[H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
[H][C@@]12CCN[C@]1(C)CN(c1ccccc1)c1ccccc21 |r|
CC[C@H]1c2ccccc2N(C[C@@]1(C)N)c1ccccc1 |r|
CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8|
CN1CCN(CC1)C1=Nc2cc(OS(=O)(=O)C(F)(F)F)ccc2Nc2ccccc12 |t:8|
CN1CCc2ccc(OCCCN3CCC(=O)CC3)cc2C1=O
[H][C@@]12CCC[C@]1([H])CN(CCCOc1ccc(cc1)C(N)=O)C2 |r|
CCN1CCc2ccc(OCCCN3CCOCC3)cc2C1=O
CN1CCc2ccc(OCC(O)CN3CCOCC3)cc2C1=O
CN1CCc2ccc(OCCCCN3CCOCC3)cc2C1=O
CN1CCc2ccc(OCCCN3CCC(O)CC3)cc2C1=O
CN1CCc2ccc(OCCCN3CCC(O)C3)cc2C1=O
CCN(CC)CCCOc1ccc2CCN(C)C(=O)c2c1
CN1CCN(CCCOc2ccc3CCN(C)C(=O)c3c2)CC1
CN1CCc2ccc(OCCCN3CCCC3)cc2C1=O
CC1CCN(CCCOc2ccc3CCN(C)C(=O)c3c2)CC1
CN1CCc2ccc(OCCCN3CCCCC3)cc2C1=O
CN1CCc2ccc(OCCN3CCOCC3)cc2C1=O
CC1CCCCN1CCCOc1ccc2CCN(C)C(=O)c2c1
CC1CCCN1CCCOc1ccc2CCN(C)C(=O)c2c1
CCN1CCN(CCCOc2ccc3CCN(C)C(=O)c3c2)CC1
CN1CCc2ccc(OCCCN3CCOCC3)cc2C1=O
CC[C@]12CC(=O)n3c([C@@H]1OC)c(CCN(CCC2)C(=O)c1cccc(Br)c1)c1ccccc31 |r|
CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:33,t:30|
C[C@H]1CNC[C@@H]1c1cnc[nH]1 |r|
FC(F)Oc1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cn1
[#6]-c1cccc(-[#6]-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]-2\c3ccc(Cl)cc3-[#6]-[#6]-c3cccnc-23)c1
[#6]-c1cncc(-[#6]-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]-2\c3ccc(Cl)cc3-[#6]-[#6]-c3cccnc-23)c1
[#6]-c1ccncc1-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
[#6]-c1ncccc1-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2/[#6]-[#6]-[#7](-[#6]-c3ccccn3)-[#6]-[#6]-2)c1
Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2/[#6]-[#6]-[#7](-[#6]-c3ncccn3)-[#6]-[#6]-2)c1
Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2/[#6]-[#6]-[#7](-[#6]-c3ccccc3)-[#6]-[#6]-2)c1
[#6]-[#6]-[#6](-[#6]-[#6])-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2/[#6]-[#6]-[#7](-[#6]-[#6]-3-[#6]-[#6]-[#6]-3)-[#6]-[#6]-2)c1
Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2/[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]-2-[#6]-[#6]-[#6]-2)c1
Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2/[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]-2-[#6]-[#6]-2)c1
[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2/[#6]-[#6]-[#7](-[#6]-c3cccnc3)-[#6]-[#6]-2)c1
Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2\[#6]-[#6]-[#7](-[#6]-c3ccncc3)-[#6]-[#6]-2)c1
Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2/[#6]-[#6]-[#7](-[#6]-[#6]-3-[#6]-[#6]-3)-[#6]-[#6]-2)c1
Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2/[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)c1
Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2/[#6]-[#6]-[#7](-[#6]-c3ccncn3)-[#6]-[#6]-2)c1
Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2/[#6]-[#6]-[#7](-[#6]-[#6]-3-[#6]-[#6]-[#6]-[#6]-3)-[#6]-[#6]-2)c1
[#6]-[#6](-[#6])-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
[#6]-c1ccc(-[#6]-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]-2\c3ccc(Cl)cc3-[#6]-[#6]-c3cccnc-23)cn1
Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2/[#6]-[#6]-[#7](-[#6]-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)-[#6]-[#6]-2)c1
Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2/[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]-2-[#6]-[#6]-[#6]-[#6]-2)c1
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NC1CC1
CC(=O)N1CCN(CC1)[C@@H]1c2ccc(Cl)cc2CCc2cccnc12 |r|
CC(=O)N1CCN(CC1)[C@H]1c2ccc(Cl)cc2CCc2cccnc12 |r|
Clc1ccc2C(N3CCNC(=O)C3)c3ncccc3CCc2c1
CC(=O)N1CCCN(CC1)C1c2ccc(Cl)cc2CCc2cccnc12
CCCC(=O)N1CCN(CC1)C1c2ccc(Cl)cc2CCc2cccnc12
Clc1ccc2C(N3CCN(CC3)C=O)c3ncccc3CCc2c1
CC(=O)N1CCN(CC1)C1c2ccc(Cl)cc2CCc2cccnc12
CC(=O)N1CCN(CC1)C1c2ccccc2CCc2ccccc12
CCC(=O)N1CCN(CC1)C1c2ccc(Cl)cc2CCc2cccnc12
CN1CCN(CC1)C1c2ccc(Cl)cc2CCc2cccnc12
Clc1ccc2C(N3CCN4C(CCC4=O)C3)c3ncccc3CCc2c1
Clc1ccc2C(N3CCNCC3)c3ncccc3CCc2c1
CN1CCN(CC1=O)C1c2ccc(Cl)cc2CCc2cccnc12
CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8|
Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F |(17.28,-55.18,;17.28,-53.64,;18.61,-52.87,;18.61,-51.33,;17.26,-50.56,;16.94,-49.07,;15.41,-48.91,;14.79,-50.31,;15.93,-51.33,;15.95,-52.87,;14.62,-53.65,;14.63,-55.19,;13.29,-55.96,;11.96,-55.19,;10.63,-55.96,;10.64,-57.5,;11.97,-58.26,;11.98,-59.81,;10.64,-60.59,;9.31,-59.81,;7.83,-60.29,;6.93,-59.04,;7.84,-57.79,;9.31,-58.27,;11.95,-53.66,;13.28,-52.88,;13.27,-51.34,;11.93,-50.58,;14.38,-50.56,;13.26,-49.79,)|
FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12
FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12
COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1
COc1ccccc1N1CCN(CCCSc2nnc(-c3ccccc3)n2C)CC1
COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1
C#CCNC1CCc2cc(OCCCN3CCCCC3)ccc12
CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)|
[#6]-[#6]-[#8]-c1ccccc1-[#8]-[#6]-[#6](-[#8])-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
[#6]-[#8]-c1ccccc1-[#8]-[#6]-[#6@@H](-[#8])-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 |r|
[#6]-[#8]-c1ccccc1-[#8]-[#6]-[#6@H](-[#8])-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 |r|
[#6]-[#8]-c1c(F)c(F)ccc1-[#8]-[#6]-[#6](-[#8])-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
[#6]-[#8]-c1cccc(-[#8]-[#6]-[#6](-[#8])-[#6]-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]-2\c3ccc(Cl)cc3-[#6]-[#6]-c3cccnc-23)c1
[#6]-[#6](=O)-c1ccccc1-[#8]-[#6]-[#6](-[#8])-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
[#8]-[#6](-[#6]-[#8]-c1ccccc1-[#7+](-[#8-])=O)-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
[#8]-[#6](-[#6]-[#8]-c1ccccc1Br)-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
[#8]-[#6](-[#6]-[#8]-c1ccccc1F)-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
[#8]-[#6](-[#6]-[#8]-c1ccccc1-[#8]C(F)(F)F)-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
[#6]-c1ccccc1-[#8]-[#6]-[#6](-[#8])-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
[#8]-[#6](-[#6]-[#8]-c1ccccc1)-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
[#8]-[#6](-[#6]-[#8]-c1ccccc1Cl)-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
[#6]-[#8]-c1ccccc1-[#8]-[#6]-[#6](-[#8])-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
[#6]-[#8]-c1ccccc1-[#8]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
[#6]-[#8]-c1ccc(-[#8]-[#6]-[#6](-[#8])-[#6]-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]-2\c3ccc(Cl)cc3-[#6]-[#6]-c3cccnc-23)cc1
[#8]-[#6](-[#6]-[#8]-c1ccccc1C(F)(F)F)-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)N(C)C)CC1
OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(Cl)s1)-c1ccc(cc1)C1CCNCC1
CN1CCC2C(C1)=C(c1ccccc21)c1ccccc1 |c:7|
C(N1CCC2=C(C1)C(c1ccccc21)c1ccccc1)c1ccccc1 |c:4|
CN1CC[C@](O)([C@@H](C1)C(=O)c1ccccc1)c1ccccc1
C(N1CCC2C(C1)=C(c1ccccc21)c1ccccc1)c1ccccc1 |c:7|
CCN1CC[C@](O)([C@@H](C1)C(=O)c1ccccc1)c1ccccc1
C1NCC2=C(c3ccccc3C2=C1)c1ccccc1 |c:13,t:3|
CCN1CCC2=C(C1)C(c1ccccc21)c1ccccc1 |c:5|
CN1CC=C2C(C1)=C(c1ccccc21)c1ccccc1 |c:3,7|
CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2F)=C1C)c1ccc(F)c(F)c1 |c:30|
CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2C#N)=C1C)c1ccc(F)c(F)c1 |c:31|
CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |t:1|
CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2C#N)=C1C)c1ccc(F)c(F)c1 |c:29|
CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1 |t:1|
CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1C#N |t:1|
CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1C#N |t:1|
CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1F |t:1|
CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2)=C1C)c1ccc(F)c(F)c1 |c:29|
C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r|
C(CCOc1ccc(cc1)-c1ccccc1)CCN1CCCCCC1
CN(C)c1ccc(C=CC=Cc2cc(C)[n+](CCCCc3c[nH]cn3)c(C)c2)cc1
CN(C)c1ccc(C=CC=Cc2cc(C)[n+](CCCCCc3c[nH]cn3)c(C)c2)cc1
Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12
O=c1n(CCCCN2CCN(CC2)c2cccc3sccc23)nc2ccccn12
Fc1cccn2c1nn(CCCCN1CCN(CC1)c1cccc3sccc13)c2=O
O=c1n(CCCCN2CCN(CC2)c2cccc3sccc23)nc2ccc(cn12)C#N
c1cc2c(c[nH]c2nc1)CN3CCN(CC3)c4ccc(cc4)Cl
COc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
CSc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
FC(F)(F)c1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
CCCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
C=Cc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Fc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
[#8]-[#6]-1-[#6]-c2cccnc2\[#6](=[#6]-2/[#6]-[#6]-[#7]-[#6]-[#6]-2)-c2ccc(Cl)cc-12
[#8]-[#6]-1-[#6]-c2cc(Cl)ccc2\[#6](=[#6]-2\[#6]-[#6]-[#7]-[#6]-[#6]-2)-c2ncccc-12
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6](-[#8])-c2cccnc-12
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6](-[#8])-[#6]-c2cccnc-12
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6](-[#8])-[#6]\[#6](-[#6]-[#6]-1-[#8])=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6](F)-c2cccnc-12
CCOC(=O)N1CC\C(C(O)C1)=C1\c2ccc(Cl)cc2CCc2cccnc12
CCOC(=O)N1CC\C(C=C1)=C1\c2ccc(Cl)cc2CC(O)c2cccnc12 |c:9|
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cc(-[#8])cnc-12
CCOC(=O)N1CC\C(C=C1)=C1/c2ccc(Cl)cc2CCc2cc(O)cnc12 |c:9|
CCOC(=O)N1CC\C(C=C1)=C1\c2ccc(Cl)cc2CCc2cc(O)cnc12 |c:9|
CCOC(=O)N1CC\C(C=C1)=C1\c2ccc(Cl)cc2CCc2cccnc12 |c:9|
CCOC(=O)N1CC\C(C=C1)=C1/c2ccc(Cl)cc2CCc2cccnc12 |c:9|
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]=[#6]-c2cccnc-12 |c:21|
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6](-[#8])\[#6](-[#6](-[#8])-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2ccc(nc-12)-[#6](F)F
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2c(ccnc-12)-[#6](F)F
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2c(-[#6]-[#8])ccnc-12
CCOC(=O)N1CCC2(CC1)OC21c2ccc(Cl)cc2CCc2cccnc12
CCOC(=O)N1CCC2(CC1)OC21c2ccc(Cl)cc2CCc2ccc[n+]([O-])c12
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2ccc[n+](-[#8-])c-12
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2ccc[n+](-[#6])c-12
CCOC(=O)N1CCC(=O)C2(CC1)c1ccc(Cl)cc1CCc1cccnc21
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccccc2-[#6]-[#6]-c2cccnc-12
CN(C)CCN1c2ccccc2\C=C/c2ccccc2C1=O |c:13|
CN(C)CCCN1c2ccccc2\C=C/c2ccccc2C1=O |c:14|
CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O
CN(C)CCN1c2ccccc2CCc2ccccc2C1=O
CN(C)CCCN1c2ccccc2CCc2ccccc2C1=O
CN1CCN(CCCN2c3ccccc3\C=C/c3ccccc3C2=O)CC1 |c:16|
CN(C)CCN1c2cc3ccccc3cc2C(=O)N(C)c2ccc(Cl)cc2C1=O
COc1cc2N(CCN(C)C)C(=O)c3ccccc3N(C)C(=O)c2cc1OC
CN(C)CCCN1c2ccccc2C(=O)N(C)c2ccccc2C1=O
CN(C)CCN1c2ccccc2C(=O)N(C)c2ccccc2C1=O
CN(C)C(=O)NC1CCC(CC1)CCN2CCN(CC2)c3cccc(c3Cl)Cl
C[C@H]1CN(CC[C@H]2CC[C@@H](CC2)N2C(=O)CC3(CCCC3)CC2=O)CCc2ccc(Cl)cc12 |r,wU:9.12,wD:6.5,1.0,(78.22,-16.9,;77.88,-18.4,;76.36,-18.74,;75.69,-20.14,;74.15,-20.14,;73.38,-21.48,;71.84,-21.48,;71.07,-20.14,;69.53,-20.14,;68.76,-21.48,;69.53,-22.81,;71.07,-22.81,;67.22,-21.48,;66.46,-22.81,;67.23,-24.15,;64.91,-22.81,;64.15,-21.47,;63.25,-20.22,;61.79,-20.69,;61.78,-22.23,;63.24,-22.71,;64.92,-20.14,;66.46,-20.14,;67.23,-18.81,;76.36,-21.54,;77.87,-21.88,;79.09,-20.91,;80.42,-21.68,;81.76,-20.91,;81.75,-19.36,;83.08,-18.58,;80.42,-18.6,;79.09,-19.37,)|
[H][C@]12C[C@]([H])(C=C1)[C@]1([H])C(=O)N([C@H]3CC[C@H](CCN4CCc5ccc(Cl)cc5[C@@H](C)C4)CC3)C(=O)[C@]21[H] |r,wU:12.12,3.3,1.0,35.41,7.8,wD:15.16,28.30,c:5,(34.02,-24.69,;34.03,-23.15,;33.26,-21.65,;34.04,-20.05,;34.03,-18.51,;32.7,-20.82,;32.69,-22.37,;35.37,-20.83,;35.36,-19.29,;36.83,-20.36,;37.31,-18.9,;37.73,-21.61,;39.27,-21.61,;40.03,-20.28,;41.57,-20.28,;42.35,-21.61,;43.88,-21.61,;44.65,-20.28,;46.19,-20.28,;46.86,-21.67,;48.37,-22.01,;49.58,-21.05,;50.91,-21.81,;52.25,-21.05,;52.24,-19.5,;53.57,-18.72,;50.91,-18.73,;49.59,-19.51,;48.37,-18.53,;48.71,-17.03,;46.86,-18.88,;41.57,-22.95,;40.03,-22.95,;36.83,-22.86,;37.3,-24.32,;35.36,-22.38,;35.35,-23.93,)|
[H][C@]12CC[C@]([H])(C1)[C@@]1([H])C(=O)N([C@H]3CC[C@H](CCN4CCc5ccc(Cl)cc5[C@@H](C)C4)CC3)C(=O)[C@@]21[H] |r,wU:12.12,1.0,4.4,7.8,35.41,wD:15.16,28.30,(63.69,-3.63,;63.7,-5.18,;62.36,-5.95,;62.35,-7.49,;63.69,-8.27,;63.68,-9.82,;62.92,-6.78,;65.02,-7.51,;65.01,-9.05,;66.48,-7.99,;66.96,-9.45,;67.39,-6.74,;68.93,-6.74,;69.69,-5.4,;71.23,-5.41,;72.01,-6.74,;73.54,-6.74,;74.31,-5.41,;75.85,-5.41,;76.52,-6.8,;78.03,-7.14,;79.24,-6.18,;80.57,-6.94,;81.91,-6.17,;81.9,-4.63,;83.23,-3.85,;80.57,-3.86,;79.25,-4.63,;78.03,-3.66,;78.37,-2.16,;76.52,-4.01,;71.23,-8.08,;69.69,-8.08,;66.48,-5.49,;66.97,-4.03,;65.03,-5.96,;65.02,-4.41,)|
C[C@H]1CN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2ccco2)CCc2ccc(Cl)cc12 |r,wU:9.12,wD:6.5,1.0,(19.71,-32.34,;19.37,-33.84,;17.85,-34.19,;17.18,-35.59,;15.64,-35.59,;14.87,-36.92,;13.33,-36.92,;12.56,-35.59,;11.02,-35.59,;10.25,-36.92,;11.02,-38.26,;12.56,-38.26,;8.71,-36.92,;7.94,-38.26,;8.71,-39.59,;6.4,-38.26,;5.49,-37.02,;4.03,-37.49,;4.03,-39.03,;5.49,-39.51,;17.85,-36.99,;19.36,-37.33,;20.57,-36.36,;21.91,-37.13,;23.25,-36.36,;23.24,-34.81,;24.57,-34.03,;21.91,-34.04,;20.58,-34.81,)|
[H][C@]12CN(C)C[C@]1([H])c1cc(Cl)ccc1Oc1ccccc21 |r|
COC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
COC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1
COC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Cn1c2ccc(CCCCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2sc1=O
Cn1c2ccc(CCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)cc2sc1=O
Cn1c2ccc(CCN3CCC(Cc4ccccc4)CC3)cc2sc1=O
Cn1c2ccc(CCN3CCC(CC3)c3ccccc3)cc2sc1=O
Cn1c2ccc(CCCCN3CCC(Cc4ccccc4)CC3)cc2sc1=O
C[C@H]1CN(CCc2ccc3n(C)c(=O)sc3c2)C[C@@H](C)N1
Cn1c2ccc(CCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2sc1=O
Cn1c2ccc(CCCCN3CCC(CC3)c3ccccc3)cc2sc1=O
Cn1c2ccc(CCCCN3CCN(Cc4ccccc4)CC3)cc2sc1=O
C[C@H]1CN(CCCCc2ccc3n(C)c(=O)sc3c2)C[C@@H](C)N1
Cn1c2ccc(CCCCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)cc2sc1=O
Cn1c2ccc(CCN3CCN(Cc4ccccc4)CC3)cc2sc1=O
Cn1ccc2ccc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2c1=O
CC(=O)c1ccc(OCCCN2CC[C@H](N)C2)cc1
O=C(C1CC1)c1ccc(OCCCN2CC[C@@H](C2)NS(=O)(=O)c2ccc(cc2)C#N)cc1 |r|
CC(=O)c1ccc(OCCCN2CC[C@@H](C2)NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)cc1
CC(=O)c1ccc(OCCCN2CC[C@@H](C2)NC(=O)c2cccnc2)cc1
CCc1ccc(cc1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
O=C(C1CC1)c1ccc(OCCCN2CC[C@@H](C2)NS(=O)(=O)c2ccccc2)cc1
CC(=O)c1ccc(OCCCN2CC[C@@H](C2)NC(=O)[C@@H](N)CO)cc1
O=C(N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1)c1csc(n1)-c1cccnc1
COc1ccc(cc1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Cc1cccc(c1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Fc1ccccc1S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Clc1ccccc1S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
CC(=O)c1ccc(OCCCN2CC[C@@H](C2)NC(=O)c2cnccn2)cc1
CC(=O)c1ccc(OCCCN2CC[C@@H](C2)NC(=O)c2ccc(cc2)C#N)cc1
Fc1ccc(cc1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Cn1cnc(c1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Fc1cccc(c1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
O=C(C1CC1)c1ccc(OCCCN2CC[C@@H](C2)NS(=O)(=O)c2ccccc2C#N)cc1
C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(C)=O)C1
Clc1ccc(cc1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
CC(=O)c1ccc(OCCCN2CC[C@@H](C2)NC(=O)c2csc(n2)-c2cccnc2)cc1
Cc1ccccc1S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
O=C(C1CC1)c1ccc(OCCCN2CC[C@@H](C2)NS(=O)(=O)c2cccc(c2)C#N)cc1
C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(C)=O)C1
CC(C)(C)c1ccc(cc1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
CC(=O)c1ccc(OCCCN2CC[C@@H](C2)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)cc1
Clc1cccc(c1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Brc1ccc(cc1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
CC(=O)c1ccc(OCCCN2CC[C@@H](C2)NS(=O)(=O)c2ccc(cc2)C#N)cc1
Cc1ccc(cc1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
CC(=O)Nc1ccc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)cc1
CC(=O)Nc1ccc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)cc1
O=C(C1CC1)c1ccc(OCCCN2CCC(CC2)c2ccncc2)cc1
O=C(C1CC1)c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
Clc1ccc(cc1)C(=O)c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
Fc1ccc(cc1)C(=O)c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
Clc1ccc(cc1)-c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
Clc1cccc(c1)-c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
Fc1ccc(cc1)-c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
N#Cc1ccc(cc1)-c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
C(COc1ccc(Nc2ccccc2)cc1)CN1CCN(CC1)c1ccncc1
C(COc1ccc(Cc2ccccc2)cc1)CN1CCN(CC1)c1ccncc1
C(COc1ccc(Oc2ccccc2)cc1)CN1CCN(CC1)c1ccncc1
C(COc1ccc2ccccc2c1)CN1CCN(CC1)c1ccncc1
COc1cn(ccc1=O)-c1ccc(OCCCN2CCCC2)cc1
NC[C@H]1C[C@@H]1c1cnc[nH]1
NC[C@H]1C[C@H]1c1cnc[nH]1
NC[C@@H]1C[C@H]1c1cnc[nH]1
NCC[C@H]1C[C@H]1c1cnc[nH]1
NCC[C@@H]1C[C@@H]1c1cnc[nH]1
N[C@H]1C[C@H]1c1cnc[nH]1
N[C@@H]1C[C@H]1c1cnc[nH]1
N[C@@H]1C[C@@H]1c1cnc[nH]1
NC[C@@H]1C[C@@H]1c1cnc[nH]1
N[C@H]1C[C@@H]1c1cnc[nH]1
CN(CCCc1cnc[nH]1)CCC(c1ccc(Cl)cc1)c1ccccn1
Clc1ccc(cc1)C(CCNCCCCc1cnc[nH]1)c1ccccn1
Clc1ccc(cc1)C(CCNC(=N)CCCc1cnc[nH]1)c1ccccn1
Clc1ccc(cc1)C(CCNCCc1cnc[nH]1)c1ccccn1
Clc1ccc(cc1)C(CCNCCCCCc1cnc[nH]1)c1ccccn1
CN(CCCCCc1cnc[nH]1)CCC(c1ccc(Cl)cc1)c1ccccn1
CN(CCCCc1cnc[nH]1)CCC(c1ccc(Cl)cc1)c1ccccn1
Clc1ccc(cc1)C(CCNC(=O)NCCCCc1cnc[nH]1)c1ccccn1
CN1CCCC1CCNc1c2CCCCCc2nc2ccccc12
CN(C)CCCNc1c2CCCCCc2nc2ccccc12
C(CN1CCCCC1)C#Cc1c2CCCCCc2nc2ccccc12
C(CNc1c2CCCCCc2nc2ccccc12)CN1CCCC1
OCc1cc(no1)-c1ccc(cc1)-c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)C(O)=O
C[C@@H](NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1 |r|
CCCCCNC(=O)\N=C(/N)NCCCc1sc(N)nc1C
CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1cccc(F)c1
CC(CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C)C1CCCCC1
CCCNC(=O)\N=C(/N)NCCCc1sc(N)nc1C
CCCCCCNC(=O)\N=C(/N)NCCCc1sc(N)nc1C
Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NC1CCCCC1
Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NCc1ccccc1
Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NC(c1ccccc1)c1ccccc1
C[C@H](NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1 |r|
Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NC(c1ccccc1)C(F)(F)F
CCC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1
CC(C)C(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1
CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccc(C)cc1
CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccc(F)cc1
CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccc(Cl)cc1
CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccc(Br)cc1
COc1ccc(cc1)C(C)NC(=O)\N=C(/N)NCCCc1sc(N)nc1C
CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccc(OC(F)(F)F)cc1
CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1F
Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NCc1ccco1
CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccco1
CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1cccs1
Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NCC(c1ccccc1)c1ccccc1
C[C@@H](CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1 |r|
C[C@H](CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1 |r|
CCC(CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1
CC(C)C(CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1
CC(C)c1ccc(cc1)C(C)CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C
CC(CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C)CC1CCCCC1
CC(CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C)Cc1ccc(C)cc1
CC(CCc1ccccc1)CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C
CC(CCCc1ccccc1)CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C
Cc1nc(N)sc1CCCN\C(N)=N\C(=S)NC(c1ccccc1)c1ccccc1
C[C@@H](NC(=S)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1 |r|
C[C@H](NC(=S)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1 |r|
Cc1nc(N)sc1CCCN\C(N)=N\C(=S)NCC(c1ccccc1)c1ccccc1
C[C@@H](CNC(=S)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1 |r|
C[C@H](CNC(=S)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1 |r|
CCCCCCNC(=O)\N=C(/N)NC1CCc2nc(N)sc2C1
N\C(NC1CCc2nc(N)sc2C1)=N/C(=O)NCc1ccccc1
Cc1cc(=O)oc2c(Cl)c(OCCCCN3CCC(CC3)c3noc4cc(F)ccc34)ccc12
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2c(F)cccc2F)CC1 |(23.65,-6.56,;22.14,-6.23,;21.11,-7.37,;19.61,-7.04,;19.15,-5.58,;17.75,-4.96,;17.92,-3.43,;19.42,-3.11,;20.19,-4.45,;21.68,-4.77,;16.42,-5.72,;16.4,-7.26,;15.07,-8.02,;13.74,-7.24,;12.4,-8.01,;11.07,-7.23,;9.73,-8,;8.4,-7.22,;7.06,-7.99,;5.73,-7.21,;4.4,-7.99,;4.4,-9.53,;3.07,-10.3,;5.73,-10.29,;7.06,-9.53,;5.73,-11.83,;7.06,-12.6,;8.4,-11.82,;7.07,-14.14,;5.73,-14.91,;4.4,-14.14,;4.4,-12.6,;3.06,-11.83,;13.74,-5.71,;15.08,-4.94,)|
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(CCN3CCCCC3)cc2)CC1
CN1CCN(Cc2ccc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2)CC1
CN1CCN(Cc2ccc(OCCCCN3CCC(CC3)c3noc4cc(F)ccc34)cc2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(CCN3CCOCC3)cc2)CC1
CC(F)(F)COc1ncncc1CNc1ncc(C#N)c(N[C@@H]2CC[C@H](O)C(C)(C)C2)n1 |r|
C[C@@H](NC(=O)c1ccc(cc1)N(C)C)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
NC(=O)N(O)CCC#Cc1ccc(CN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)o1
NC(=O)N(O)CCC#C[C@@H]1CC[C@@H](CN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)O1
NC(=O)N(O)CCC#C[C@H]1CC[C@H](CN2CCN(CC2)[C@H](c2ccccc2)c2ccc(Cl)cc2)O1
NC(=O)N(O)CCC#Cc1ccc(CN2CCN(CC2)[C@H](c2ccccc2)c2ccc(Cl)cc2)o1
NC(=O)N(O)CCC#C[C@@H]1CC[C@@H](CN2CCN(CC2)[C@H](c2ccccc2)c2ccc(Cl)cc2)O1
NC(=O)N(O)Cc1ccc(CN2CCN(CC2)[C@H](c2ccccc2)c2ccc(Cl)cc2)o1
CC(C#Cc1ccc(CN2CCN(CC2)[C@H](c2ccccc2)c2ccc(Cl)cc2)o1)N(O)C(N)=O
CNC[C@@H]1C[C@@H]2[C@@H](O1)c1ccccc1Cc1ccccc21
Fc1ccc(cc1)C(=O)C1CCN(CC2C[C@H]3[C@H](O2)c2ccccc2Cc2ccccc32)CC1
CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1Sc1ccccc21
CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1COc1ccccc21
CN(C)CC1C[C@@H]2[C@H](O1)c1ccccc1Cc1ccccc21
C(C1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21)N1CCOCC1
Clc1cccc(c1)N1CCN(CC2C[C@H]3[C@H](O2)c2ccccc2Cc2ccccc32)CC1
CN1CCN(CC2C[C@H]3[C@H](O2)c2ccccc2Cc2ccccc32)CC1
CN(C)CC1C[C@@H]2[C@H](O1)c1ccccc1Oc1ccccc21
CN(C)C[C@H]1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1OCc1ccccc21
CN(C)C[C@@H]1C[C@@H]2[C@@H](O1)c1ccccc1Cc1ccccc21
CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
CNCC1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
OCCN1CCN(CC2C[C@H]3[C@H](O2)c2ccccc2Cc2ccccc32)CC1
CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
C(C1C[C@H]2[C@H](O1)c1ccccc1Sc1ccccc21)N1CCC(CC1)c1ccccc1
CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1N(C)c1ccccc21
CN1CCN(CC2C[C@H]3[C@H](O2)c2ccccc2Sc2ccccc32)CC1
C(C1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21)N1CCC(CC1)c1ccccc1
CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1Oc1ccccc21
CN(C)C[C@@H]1C[C@H]2[C@H](O1)c1ccccc1Cc1ccccc21
Fc1cccc(c1)S(=O)(=O)n1ccc2c(nc3ccccc3c12)N1CCNCC1
Nc1nc-2c(Cc3ccc(OCCCN4CCCC4)cc-23)c(n1)-c1ccccc1
Nc1nc2-c3cc(OCCCN4CCCCC4)ccc3C(=O)c2c(n1)-c1ccccc1
Cc1cnc2c(cnn2c1)-c1ccc(cc1F)C(=O)N([C@@H]1CCCNC1)c1ncccc1C |r|
[#7]-[#6](=O)-[#7](-[#8])-[#6]-[#6]C#Cc1ccc(-[#8]-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]-2\c3ccc(Cl)cc3-[#6]-[#6]-c3cccnc-23)cc1
NC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCN(CC2)[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1
NC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1
NC(=O)N(O)CCC#Cc1ccc(OCCCN2CCN(CC2)[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1
NC(=O)N(O)CCC#Cc1ccc(OCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1
NC(=O)N(O)CCC#Cc1ccc(OCCN2CCN(CC2)[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1
[#7]-[#6](=O)-[#7](-[#8])-[#6]-[#6]C#Cc1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]-2\c3ccc(Cl)cc3-[#6]-[#6]-c3cccnc-23)cc1
[#7]-[#6](=O)-[#7](-[#8])-[#6]-[#6]C#Cc1ccc(-[#8]-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]-2\c3ccc(Cl)cc3-[#6]-[#6]-c3cccnc-23)cc1
NC(=O)N(O)CCC#Cc1ccc(OCCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1
CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCOCCOCCOCCNC(=O)C3CCN(Cc4ccc(OCCCN5CCCCC5)cc4)CC3)c3ccc(cc3oc2c1)=[N+](C)C |(50.94,-7.72,;49.61,-6.94,;49.62,-5.4,;48.28,-7.7,;46.93,-6.92,;45.6,-7.69,;45.59,-9.23,;44.26,-9.99,;42.94,-9.22,;41.6,-9.98,;40.27,-9.21,;40.28,-7.67,;41.61,-6.9,;42.94,-7.67,;44.27,-6.9,;45.75,-6.49,;44.27,-5.36,;38.95,-6.89,;38.95,-5.35,;37.61,-7.66,;36.28,-6.88,;34.94,-7.65,;33.61,-6.87,;32.28,-7.64,;30.95,-6.86,;29.61,-7.63,;28.28,-6.85,;26.94,-7.62,;25.61,-6.84,;24.27,-7.61,;22.94,-6.83,;21.61,-7.6,;20.28,-6.82,;20.28,-5.28,;18.94,-7.59,;18.93,-9.13,;17.6,-9.89,;16.28,-9.11,;14.94,-9.88,;13.61,-9.11,;12.28,-9.88,;10.94,-9.11,;10.95,-7.57,;9.62,-6.8,;8.28,-7.57,;6.95,-6.79,;5.61,-7.56,;4.28,-6.79,;2.95,-7.55,;1.63,-6.79,;1.63,-5.25,;2.95,-4.47,;4.28,-5.25,;12.28,-6.8,;13.6,-7.57,;16.26,-7.58,;17.6,-6.81,;44.26,-11.53,;42.94,-12.29,;42.93,-13.82,;44.25,-14.58,;45.57,-13.83,;45.58,-12.31,;46.92,-11.55,;46.93,-10,;48.27,-9.25,;44.25,-16.12,;42.92,-16.9,;45.58,-16.9,)|
OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(CC=C)c2ccccc12
OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(CCc2ccccn2)c2ccccc12
OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(Cc2ccc(Cl)s2)c2cc(F)ccc12
CCOCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2ccccc12
CCOCCn1cc(C2CCN(CCOc3ccc(C)cc3C(O)=O)CC2)c2ccccc12
CCOCCn1cc(C2CCN(Cc3ccccc3C(O)=O)CC2)c2ccccc12
COCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2ccc(F)cc12
OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(CC2CC2)c2ccccc12
CCOCCn1cc(C2CCN(Cc3ccc(OCC(O)=O)cc3)CC2)c2ccccc12
COc1ccc(CN2CCC(CC2)c2cn(Cc3ccc(Cl)s3)c3cc(F)ccc23)cc1C(O)=O
OC(=O)c1cccc(CN2CCC(CC2)c2cn(Cc3ccc(Cl)s3)c3ccccc23)c1
OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(Cc2ccoc2)c2cc(F)ccc12
COCCn1cc(C2CCN(Cc3cccc(c3)C(O)=O)CC2)c2ccc(F)cc12
CCOCCn1cc(C2CCN(Cc3ccccc3OCC(O)=O)CC2)c2ccccc12
CCCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2ccc(F)cc12
CCOCCn1cc(C2CCN(Cc3cccc(c3)C(O)=O)CC2)c2ccccc12
OC(=O)c1cccc(CN2CCC(CC2)c2cn(Cc3ccco3)c3ccccc23)c1
COCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2ccccc12
CCOCCn1cc(C2CCN(CCOc3c(Br)cc(Br)cc3C(O)=O)CC2)c2ccccc12
OC(=O)c1cccc(CN2CCC(CC2)c2cn(Cc3cccs3)c3ccccc23)c1
OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(CCC2OCCO2)c2ccccc12
COc1ccc(CN2CCC(CC2)c2cn(Cc3cccs3)c3cc(F)ccc23)cc1C(O)=O
CCOCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2cccc(Br)c12
CCOCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2cc(OC)ccc12
CCOCCn1cc(C2CCN(Cc3cccc(OCC(O)=O)c3)CC2)c2ccccc12
CCOCCn1cc(C2CCN(CCOc3ccsc3C(O)=O)CC2)c2ccccc12
CCOCCn1cc(C2CCN(CCOc3ccc(cc3C(O)=O)C(C)=O)CC2)c2ccccc12
CCOCCn1cc(C2CCN(CCOc3cc(OC)ccc3C(O)=O)CC2)c2ccccc12
CCOCCn1cc(C2CCN(CCOc3cccc(c3)C(O)=O)CC2)c2ccccc12
OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(CCC2COCCO2)c2ccccc12
COCCn1cc(C2CCN(Cc3ccc(OC)c(c3)C(O)=O)CC2)c2ccc(F)cc12
COCCn1cc(C2CCN(Cc3ccc(OC)c(c3)C(O)=O)CC2)c2ccccc12
CCOCCn1cc(C2CCN(Cc3cccc(c3)C(O)=O)CC2)c2cc(OC)ccc12
CCOCCn1cc(C2CCN(Cc3ccc(OC)c(c3)C(O)=O)CC2)c2ccccc12
CCOCCn1cc(C2CCN(Cc3cc(ccc3Br)C(O)=O)CC2)c2ccccc12
COc1ccc(CN2CCC(CC2)c2cn(Cc3ccoc3)c3cc(F)ccc23)cc1C(O)=O
OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(Cc2ccc(Cl)s2)c2ccccc12
OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(CC2CC2)c2cc(F)ccc12
CCOCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2cc(Br)ccc12
OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(Cc2ccco2)c2ccccc12
CCOCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2ccc(F)cc12
CCOCCn1cc(C2CCN(Cc3ccc(F)c(c3)C(O)=O)CC2)c2ccccc12
CCOCCn1cc(C2CCN(CCOc3ccc(cc3)C(O)=O)CC2)c2ccccc12
COc1ccc(CN2CCC(CC2)c2cn(Cc3cccs3)c3ccccc23)cc1C(O)=O
CCOCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2ccc(cc12)C(F)(F)F
OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(Cc2ccco2)c2cc(F)ccc12
CCOCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2cccc(C)c12
OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(Cc2cccs2)c2ccccc12
CCOCCn1cc(C2CCN(CCOc3cccc(F)c3C(O)=O)CC2)c2ccccc12
CCOCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2cc(F)ccc12
CCCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2ccccc12
O=C(C1CC1)c1ccc2nc(ccc2c1)N1CCN(CC1)C1CC1
COC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1
ON(CCC#Cc1ccc(OCCCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1)C(=O)OCc1ccccc1
CC(C)OC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1
CCOC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1
CC(C)COC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1
CCCCn1cc(C2CCN(CCOc3cc(Cl)ccc3C(O)=O)CC2)c2ccccc12
COc1ccc(CN2CCC(CC2)c2cn(Cc3ccoc3)c3ccccc23)cc1C(O)=O
CCOCCn1cc(C2CCN(CCOc3ccccc3C=O)CC2)c2ccccc12
OC(=O)c1cccc(CN2CCC(CC2)c2cn(Cc3ccoc3)c3ccccc23)c1
CCCCn1cc(C2CCN(Cc3ccc(OC)c(c3)C(O)=O)CC2)c2ccccc12
OC(=O)c1ccc(Cl)cc1OCCN1CCC(CC1)c1cn(Cc2ccoc2)c2ccccc12
OC(=O)c1ccc(Cl)cc1OCCN1CCC(CC1)c1cn(Cc2ccc(Cl)s2)c2ccccc12
CCCCn1cc(C2CCN(Cc3cccc(c3)C(O)=O)CC2)c2ccccc12
CCCCn1cc(C2CCN(CCOc3cc(OC)ccc3C(O)=O)CC2)c2ccccc12
COc1ccc(C(O)=O)c(OCCN2CCC(CC2)c2cn(Cc3ccc(Cl)s3)c3ccccc23)c1
OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(Cc2ccoc2)c2ccccc12
COc1ccc(CN2CCC(CC2)c2cn(Cc3ccc(Cl)s3)c3ccccc23)cc1C(O)=O
COc1ccc(C(O)=O)c(OCCN2CCC(CC2)c2cn(Cc3ccoc3)c3ccccc23)c1
CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccccc1
c1ccc2c(c1)C(=O)N(C(=O)N2)CCN3CCC(CC3)C(=O)c4ccc(cc4)F
CN1CCN(CC1)S(=O)(=O)CCCN1CCC(CNC(=O)c2cccc3OCCOc23)CC1
CN1CCN2C(C1)c1ccccc1Cc1ccccc21
CN(C)C[C@H]1CC2[C@H](O1)c1cc(Cl)ccc1Oc1ccccc21
CN(C)C[C@H]1CC2[C@H](O1)c1ccccc1Cc1ccccc21
CN(C)C[C@H]1CC2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
CN(C)C[C@@H]1CC2[C@H](O1)c1cc(Cl)ccc1Oc1ccccc21
CN(C)C[C@H]1C[C@H]2[C@H](O1)c1cc(F)ccc1Sc1ccccc21
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]1CC2[C@H](O1)c1cc(Br)ccc1Oc1ccccc21
CN(C)C[C@H]1CC2[C@H](O1)c1cc(F)ccc1Oc1ccccc21
COc1cccc2[C@H](CN(C)CCc3ccc4ccoc4c3)CCCc12
Fc1ccc2CC(CC3CNC=N3)Cc2c1 |c:11|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
COc1cc2OC[C@H]3[C@H](CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC |c:31|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C(/C)c5ccccc5)CC4)ON=C3c2cc1OC |c:29|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC |c:28|
[2H]c4c([2H])c([2H])c([C@@H]3C[C@@H](N1CCN(C([2H])([2H])[2H])C(C)(C)C1)c2cc(Cl)ccc23)c([2H])c4[2H]
[2H]c4c([2H])c([2H])c([C@@H]3C[C@@H](N1CCNC(C)(C)C1)c2cc(Cl)ccc23)c([2H])c4[2H]
CN(C)CCOc1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
CN(C)CCN(C)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(SC)cc2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2Cl)cc1N1CCN(C)CC1
COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2F)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1N1CCN(C)CC1
COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
COc1ccccc1N1CCC(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
Clc1ccc(NC(=O)CCN2CCC(Cc3cnc[nH]3)CC2)cc1
COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
CCCCCNC(=O)N=C(/N)NCCCc1nnc(N)s1
CCCCCNC(=O)N=C(/N)NCCCc1cnc(N)s1
CCCCCNC(=O)N=C(/N)Nc1ccc(cc1)-c1sc(N)nc1C
CCCCCNC(=O)N=C(/N)Nc1cccc(c1)-c1sc(N)nc1C
CCCCCNC(=O)N=C(/N)NCC1CCc2nc(N)sc2C1
CCCCCCNC(=O)N=C(/N)NCCCc1nnc(N)s1
CCCCCCNC(=O)N=C(/N)NCCCc1nnc(N)o1
Cc1nnc(CCCNC(N)=NC(=O)NCCCCCCCCN)s1
NCCCCCCCCNC(=O)N=C(/N)NCCCc1nnc(N)s1
Cc1nc(N)sc1-c1ccc(NC(N)=NC(=O)NC2CCCCC2)cc1
CC(CNC(=O)N=C(/N)NCCCc1oc(N)nc1C)C1CCCCC1
CC(CNC(=O)N=C(/N)NCCCc1nnc(C)s1)C1CCCCC1
CC(CNC(=O)N=C(/N)NCCCc1nnc(N)s1)C1CCCCC1
CC(CNC(=O)N=C(/N)Nc1ccc(cc1)-c1sc(N)nc1C)C1CCCCC1
Cc1nc(N)oc1CCCNC(N)=NC(=O)NCc1ccccc1
Cc1nnc(CCCNC(N)=NC(=O)NCc2ccccc2)s1
NC(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
NC(NCCCc1cnc(N)s1)=N/C(=O)NCc1ccccc1
Cc1nc(N)sc1-c1ccc(NC(N)=NC(=O)NCc2ccccc2)cc1
Cc1nc(N)sc1-c1cccc(NC(N)=NC(=O)NCc2ccccc2)c1
NC(NCC1CCc2nc(N)sc2C1)=N/C(=O)NCc1ccccc1
C[C@@H](NC(=O)N=C(/N)NCCCc1c[nH]cn1)c1ccccc1
C[C@@H](NC(=O)N=C(/N)NCCCc1nnc(N)s1)c1ccccc1
C[C@@H](NC(=O)N=C(/N)NCCCc1ncn[nH]1)c1ccccc1
C[C@@H](NC(=O)N=C(/N)NCCCn1cc(CN(C)C)nn1)c1ccccc1
CC(NC(=O)N=C(/N)NCCCc1nnc(N)s1)c1cccc(F)c1
CC(CNC(=O)N=C(/N)NCCCc1nnc(N)s1)Cc1ccc(C)cc1
CC(CNC(=O)N=C(/N)NCCCc1nnc(N)o1)Cc1ccc(C)cc1
CC(CNC(=O)N=C(/N)NCCCc1cnc(N)s1)Cc1ccc(C)cc1
CC(CNC(=O)N=C(/N)Nc1ccc(cc1)-c1sc(N)nc1C)Cc1ccc(C)cc1
CC(CNC(=O)N=C(/N)Nc1cccc(c1)-c1sc(N)nc1C)Cc1ccc(C)cc1
CC(CNC(=O)N=C(/N)NCC1CCc2nc(N)sc2C1)Cc1ccc(C)cc1
CC(CCCc1ccccc1)CNC(=O)N=C(/N)NCCCc1nnc(N)s1
CC(CCCc1ccccc1)CNC(=O)N=C(/N)Nc1ccc(cc1)-c1sc(N)nc1C
CC(CCCc1ccccc1)CNC(=O)N=C(/N)Nc1cccc(c1)-c1sc(N)nc1C
CC(CCCc1ccccc1)CNC(=O)N=C(/N)NCC1CCc2nc(N)sc2C1
Cc1nc(N)sc1-c1ccc(NC(N)=NC(=O)NCCCCCCNC(=O)N=C(/N)Nc2ccc(cc2)-c2sc(N)nc2C)cc1
Cc1nc(N)sc1-c1cccc(NC(N)=NC(=O)NCCCCCCNC(=O)N=C(/N)Nc2cccc(c2)-c2sc(N)nc2C)c1
NC(NCCCc1nnc(N)s1)=N/C(=O)NCCCCCCNC(=O)N=C(/N)NCCCc1nnc(N)s1
NC(NCCCc1nnc(N)s1)=N/C(=O)NCCCCCCCCNC(=O)N=C(/N)NCCCc1nnc(N)s1
CCCN[C@H]1CCc2c(sc(n2)N)C1
CCCCCNC(=O)N=C(N)NCCCc1nnc(C)s1
COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1
OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5|
CCOc1ccc(F)cc1NC(=O)c1ccccc1NS(=O)(=O)C1CC1
CCOc1ccc(F)cc1NC(=O)c1cc(C)ccc1NS(=O)(=O)C1CC1
O[C@H]1CC[C@@H](CC1)n1cnc2n(Cc3ccccc3)c(c(-c3ccccc3)c2c1=N)-c1ccccc1 |wU:4.7,wD:1.0,(20.99,-11.86,;22.33,-11.09,;23.66,-11.86,;25,-11.09,;25,-9.55,;23.66,-8.78,;22.33,-9.55,;26.33,-8.78,;26.33,-7.24,;27.66,-6.47,;29,-7.24,;30.46,-6.76,;30.94,-5.3,;29.91,-4.15,;30.38,-2.69,;29.35,-1.55,;27.85,-1.87,;27.37,-3.33,;28.4,-4.47,;31.37,-8.01,;30.46,-9.26,;30.94,-10.72,;32.44,-11.04,;32.92,-12.5,;31.89,-13.65,;30.38,-13.33,;29.91,-11.86,;29,-8.78,;27.66,-9.55,;27.66,-11.09,;32.91,-8.01,;33.68,-6.68,;35.22,-6.68,;35.99,-8.01,;35.22,-9.34,;33.68,-9.34,)|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cn1cc(COc2ccc(\C=C\C3=[N+]4C(C=C3)=Cc3ccc(-c5cccs5)n3[B-]4(F)F)cc2)nn1)C(N)=O |r,c:65,67,t:62|
C[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cn1cc(COc2ccc(\C=C\C3=[N+]4C(C=C3)=Cc3ccc(-c5cccs5)n3[B-]4(F)F)cc2)nn1)C(N)=O |r,c:59,61,t:56|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cn1cc(COc2ccc(\C=C\C3=[N+]4C(C=C3)=Cc3ccc(-c5cccs5)n3[B-]4(F)F)cc2)nn1)C(N)=O |r,c:68,70,t:65|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC(=O)N[C@@H](CCCn1cc(COc2ccc(\C=C\C3=[N+]4C(C=C3)=Cc3ccc(-c5cccs5)n3[B-]4(F)F)cc2)nn1)C(N)=O |r,c:72,74,t:69|
C[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCC(=O)N[C@@H](CCCn1cc(COc2ccc(\C=C\C3=[N+]4C(C=C3)=Cc3ccc(-c5cccs5)n3[B-]4(F)F)cc2)nn1)C(N)=O |r,c:66,68,t:63|
CC(C)[C@H](NC(=O)CCN(C)CC\C=C1/c2ccccc2COc2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC(=O)N[C@@H](CCCn1cc(COc2ccc(\C=C\C3=[N+]4C(C=C3)=Cc3ccc(-c5cccs5)n3[B-]4(F)F)cc2)nn1)C(N)=O |c:72,74,t:69|
C[C@H](NC(=O)CCN(C)CC\C=C1/c2ccccc2COc2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCC(=O)N[C@@H](CCCn1cc(COc2ccc(\C=C\C3=[N+]4C(C=C3)=Cc3ccc(-c5cccs5)n3[B-]4(F)F)cc2)nn1)C(N)=O |r,c:66,68,t:63|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)COc1ccc(\C=C\C2=[N+]3C(C=C2)=Cc2ccc(-c4cccs4)n2[B-]3(F)F)cc1)C(N)=O |r,c:73,75,t:70|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)COc1ccc(\C=C\C2=[N+]3C(C=C2)=Cc2ccc(-c4cccs4)n2[B-]3(F)F)cc1)C(N)=O |r,c:72,74,t:69|
C[C@@H](O)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)COc1ccc(\C=C\C2=[N+]3C(C=C2)=Cc2ccc(-c4cccs4)n2[B-]3(F)F)cc1)C(N)=O |r,c:73,75,t:70|
C[C@@H](O)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)COc1ccc(\C=C\C2=[N+]3C(C=C2)=Cc2ccc(-c4cccs4)n2[B-]3(F)F)cc1)C(N)=O |r,c:72,74,t:69|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)COc1ccc(\C=C\C2=[N+]3C(C=C2)=Cc2ccc(-c4cccs4)n2[B-]3(F)F)cc1)C(N)=O |r,c:78,80,t:75|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)COc1ccc(\C=C\C2=[N+]3C(C=C2)=Cc2ccc(-c4cccs4)n2[B-]3(F)F)cc1)C(N)=O |r,c:77,79,t:74|
C[C@@H](O)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)COc1ccc(\C=C\C2=[N+]3C(C=C2)=Cc2ccc(-c4cccs4)n2[B-]3(F)F)cc1)C(N)=O |r,c:78,80,t:75|
C[C@@H](O)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)COc1ccc(\C=C\C2=[N+]3C(C=C2)=Cc2ccc(-c4cccs4)n2[B-]3(F)F)cc1)C(N)=O |r,c:77,79,t:74|
CC[C@H](C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)COc1ccc(\C=C\C2=[N+]3C(C=C2)=Cc2ccc(-c4cccs4)n2[B-]3(F)F)cc1)C(N)=O |r,c:74,76,t:71|
CC(C)C[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)COc1ccc(\C=C\C2=[N+]3C(C=C2)=Cc2ccc(-c4cccs4)n2[B-]3(F)F)cc1)C(N)=O |r,c:74,76,t:71|
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)COc1ccc(\C=C\C2=[N+]3C(C=C2)=Cc2ccc(-c4cccs4)n2[B-]3(F)F)cc1)C(N)=O |r,c:74,76,t:71|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\C2=[N+]3C(C=C2)=Cc2ccc(-c4cccs4)n2[B-]3(F)F)cc1)C(N)=O |r,c:81,83,t:78|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)COc1ccc(\C=C\C2=[N+]3C(C=C2)=Cc2c(C)cc(C)n2[B-]3(F)F)cc1)C(N)=O |r,c:73,75,t:70|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1ccc(-c3cccs3)n1[B-]2(F)F)C(N)=O |r,c:67,69,t:64|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F)C(N)=O |r,c:67,69,t:64|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F)C(N)=O |r,c:75,77,t:72|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)CCCCC[N+]1=C(\C=C\C=C\C=C2\N(C)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(C)c2cc(ccc12)S(O)(=O)=O)C(N)=O |wU:3.3,51.54,38.41,wD:32.35,c:67,(-15.81,3.23,;-17.15,2.46,;-18.48,3.23,;-17.15,.92,;-18.48,.15,;-19.82,.92,;-19.82,2.46,;-21.15,.15,;-22.48,.92,;-23.82,.15,;-25.15,.92,;-26.49,.15,;-26.49,-1.39,;-25.15,-2.16,;-23.82,-1.39,;-27.82,-2.16,;-29.15,-1.39,;-29.15,.16,;-30.49,.92,;-31.82,.15,;-31.82,-1.39,;-30.49,-2.16,;-30.49,-3.7,;-29.15,-4.47,;-27.82,-3.7,;-26.49,-4.47,;-26.49,-6.01,;-27.82,-6.78,;-29.15,-6.02,;-15.81,.15,;-15.81,-1.39,;-14.48,.92,;-13.15,.15,;-13.15,-1.39,;-11.81,-2.16,;-11.81,.92,;-11.81,2.46,;-10.48,.15,;-9.14,.92,;-9.14,2.46,;-7.81,3.23,;-6.48,2.46,;-7.81,4.77,;-7.81,.15,;-7.81,-1.39,;-6.48,.92,;-5.14,.15,;-3.81,.92,;-2.47,.15,;-2.47,-1.39,;-1.14,.92,;.19,.15,;1.53,.92,;2.86,.15,;4.19,.92,;5.53,.15,;6.86,.92,;8.31,.15,;8.31,-1.39,;9.53,.93,;10.86,.16,;12.2,.93,;13.53,.16,;14.86,.93,;16.2,.16,;17.53,.93,;18.87,.16,;20.2,.93,;21.53,.16,;22.87,.93,;24.2,.16,;25.53,.93,;26.94,.3,;27.34,-1.18,;27.97,1.45,;29.52,1.45,;30.28,2.79,;29.51,4.11,;27.97,4.11,;27.2,2.78,;25.69,2.46,;24.15,2.46,;25.69,4,;30.28,5.44,;29.51,6.78,;31.82,5.44,;31.05,6.78,;17.49,2.24,;17.88,3.73,;18.97,2.64,;16.17,2.52,;15.65,3.69,;14.38,3.81,;13.65,2.78,;14.17,1.62,;15.43,1.49,;13.61,5.14,;14.38,6.47,;12.07,5.14,;12.84,6.47,;.19,-1.39,;1.53,-2.16,;-1.14,-2.16,)|
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\C2=[N+]3C(C=C2)=Cc2ccc(-c4cccs4)n2[B-]3(F)F)cc1)C(N)=O |r,c:82,84,t:79|
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)COc1ccc(\C=C\C2=[N+]3C(C=C2)=Cc2c(C)cc(C)n2[B-]3(F)F)cc1)C(N)=O |r,c:74,76,t:71|
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1ccc(-c3cccs3)n1[B-]2(F)F)C(N)=O |r,c:68,70,t:65|
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F)C(N)=O |r,c:68,70,t:65|
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F)C(N)=O |r,c:76,78,t:73|
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)NCCC(=O)N[C@@H](CCCCNC(=O)CCCCC[N+]1=C(\C=C\C=C\C=C2\N(C)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(C)c2cc(ccc12)S(O)(=O)=O)C(N)=O |r,wU:51.55,1.0,10.10,wD:5.5,c:68,(-9.14,2.46,;-9.14,.92,;-10.48,.15,;-11.81,.92,;-11.81,2.46,;-13.15,.15,;-13.15,-1.39,;-14.48,.92,;-15.81,.15,;-15.81,-1.39,;-17.15,.92,;-17.15,2.46,;-15.81,3.23,;-14.48,2.46,;-13.14,3.23,;-13.14,4.77,;-14.48,5.54,;-15.81,4.77,;-18.48,.15,;-19.81,.92,;-19.81,2.46,;-21.15,.15,;-22.48,.92,;-23.82,.15,;-25.15,.92,;-26.48,.15,;-26.48,-1.39,;-25.15,-2.16,;-23.82,-1.39,;-27.82,-2.16,;-29.15,-1.39,;-29.15,.16,;-30.49,.92,;-31.82,.15,;-31.82,-1.39,;-30.49,-2.16,;-30.49,-3.7,;-29.15,-4.47,;-27.82,-3.7,;-26.49,-4.47,;-26.49,-6.01,;-27.81,-6.78,;-29.15,-6.02,;-7.81,.15,;-7.81,-1.39,;-6.48,.92,;-5.14,.15,;-3.81,.92,;-2.47,.15,;-2.47,-1.39,;-1.14,.92,;.19,.15,;1.53,.92,;2.86,.15,;4.19,.92,;5.53,.15,;6.86,.92,;8.31,.15,;8.31,-1.39,;9.53,.93,;10.86,.16,;12.2,.93,;13.53,.16,;14.86,.93,;16.2,.16,;17.53,.93,;18.86,.16,;20.2,.93,;21.53,.16,;22.87,.93,;24.2,.16,;25.53,.93,;26.94,.3,;27.34,-1.18,;27.97,1.45,;29.51,1.45,;30.27,2.79,;29.51,4.11,;27.97,4.11,;27.2,2.78,;25.69,2.46,;24.15,2.46,;25.69,4,;30.28,5.44,;29.51,6.78,;31.82,5.44,;31.05,6.78,;17.48,2.24,;17.88,3.73,;18.97,2.64,;16.17,2.52,;15.65,3.69,;14.38,3.81,;13.64,2.78,;14.17,1.62,;15.43,1.49,;13.61,5.14,;14.38,6.47,;12.07,5.14,;12.84,6.47,;.19,-1.39,;1.53,-2.16,;-1.14,-2.16,)|
C[C@@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)NCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\C2=[N+]3C(C=C2)=Cc2ccc(-c4cccs4)n2[B-]3(F)F)cc1 |r,c:67,69,t:64|
C[C@H](NC(=O)CNC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
C[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
CN(C)CC/C=C/1\c2ccccc2COc3c1cccc3
CC[Si](CC)(CC)C#Cc1cccc2C=C(C(Oc12)C(F)(F)F)[N+]([O-])=O |c:14|
C(C[C@H]1C[C@@H]1c1cnc[nH]1)NCC1CCCCC1
Clc1ccc(CNCC[C@@H]2C[C@H]2c2cnc[nH]2)cc1
Clc1ccc(CNCC[C@H]2C[C@@H]2c2cnc[nH]2)cc1
CC(C)N1CCN(CC1)C(CN1CCN(CCCc2ccccc2-c2cccc(F)c2)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(CCCc2c(F)cccc2-c2ccccc2)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(CCCc2ccccc2-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(Cl)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(CCCc2ccccc2-c2ccc(F)cc2)CC1)c1ccc(F)cc1 |w:9.10|
C(CN1CCN(CC1)c1ccccn1)Cc1nc2ccccc2s1
CN1C2CCCC1CC(C2)Nc1ccccc1Br |TLB:0:1:7.9.8:3.5.4,10:8:1:3.5.4|
COc1ccccc1N1CCN(CCCCN2C(=O)C3C(C2=O)C2(C)C(=O)C3(C)C(=C2c2ccccc2)c2ccccc2)CC1 |c:32,THB:26:25:20.19:29.30|
CC12C3C(C(=O)N(CCCCN4CCN(CC4)c4ncccn4)C3=O)C(C)(C1=O)C(=C2c1ccccc1)c1ccccc1 |c:33,THB:28:27:3.2:30.29|
CC12C3C(C(=O)N(CCCCN4CCN(CC4)c4ccccn4)C3=O)C(C)(C1=O)C(=C2c1ccccc1)c1ccccc1 |c:33,THB:28:27:3.2:30.29|
CC12C3C(C(=O)N(CCCCN4CCN(CC4)c4ccccc4Cl)C3=O)C(C)(C1=O)C(=C2c1ccccc1)c1ccccc1 |c:34,THB:29:28:3.2:31.30|
CC12C3C(C(=O)N(CCCCN4CCN(CC4)c4cccc(Cl)c4)C3=O)C(C)(C1=O)C(=C2c1ccccc1)c1ccccc1 |c:34,THB:29:28:3.2:31.30|
CC12C3C(C(=O)N(CCCCN4CCN(CC4)c4ccccc4F)C3=O)C(C)(C1=O)C(=C2c1ccccc1)c1ccccc1 |c:34,THB:29:28:3.2:31.30|
OC(=O)c1cc(-c2ccc(cc2)C2=CC3(CNC3)C2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F |t:13|
OC(=O)c1cc(-c2ccc(cc2)C2CCCNCC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
COC1CCN(CC1)c1cc(nc2n(nc(C3CCC3)c12)-c1ccc(F)cc1)C(=O)NS(=O)(=O)N(C)C
CCCN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)OCc3ccccc3)c2c1
COC(=O)C1(CC1CN1CCC(O)(CC1)c1ccccc1)c1ccc(C)cc1
C(COc1ccc(cc1)-c1ccccc1)CN1CCCCCC1
C(COc1ccc(Nc2ccccc2)cc1)CN1CCCCC1
N#Cc1ccc(cc1)-c1ccc(OCCCN2CCC(CC2)c2ccncc2)cc1
COc1cccc(c1)N1CCN(CCCCNC(=O)c2n[nH]c3ccccc23)CC1
COc1ccc(cc1)N1CCN(CCCCNC(=O)c2n[nH]c3ccccc23)CC1
Fc1ccc(cc1)N1CCN(CCCCNC(=O)c2n[nH]c3ccccc23)CC1
Oc1cc(cc2c1N=C(Nc1ccccc1Oc1ccccc1)NS2(=O)=O)[N+]([O-])=O |t:8|
CN(C)CCc1c[nH]c2c1cccc2
FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
C[C@H](c1ccc(F)c(F)c1)n1cnc2sc3c(c2c1=O)CCNC3
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
CCCN1CCO[C@@H](C1)c1cccc(O)c1
Cc1ccc(NC(=O)C[C@H](CCC(O)=O)c2noc([C@@H]3C[C@H](CC(C)(C)C)C3)c2C2CC2)c(Cl)c1 |r,wU:19.18,21.21,wD:9.9,(16.24,-21,;15.33,-19.75,;13.8,-19.91,;12.9,-18.67,;13.53,-17.27,;12.62,-16.02,;11.09,-16.18,;10.19,-14.93,;10.46,-17.58,;8.93,-17.74,;8.3,-19.15,;9.21,-20.4,;8.58,-21.8,;7.05,-21.97,;9.48,-23.05,;8.03,-16.5,;8.51,-15.03,;7.26,-14.12,;6.02,-15.03,;4.54,-14.56,;3.84,-13.19,;2.47,-13.89,;1.01,-13.41,;.68,-11.91,;-.79,-11.43,;1.83,-10.88,;.28,-10.41,;3.17,-15.26,;6.49,-16.5,;5.58,-17.74,;4.17,-18.37,;5.41,-19.28,;15.05,-17.1,;15.67,-15.69,;15.96,-18.34,)|
CCOc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)ccc1OC
CCOc1cc(CN2CCC(CC2)NC(=O)c2cncc(C)c2)ccc1Cl
CCOc1cc(CN2CCC(CC2)NC(=O)c2cccc(c2)S(C)(=O)=O)ccc1Cl
OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@@H](C4CCC4)C4CC4)nc(I)nc31)[C@H](O)[C@@H]2O
Fc1ccc(cc1)C(=O)CCCN1C2CCC1CN(CC2)c1ccc(Cl)cc1 |TLB:11:12:14.15:20.17.18.19,THB:21:18:14.15:12|
Fc1ccc(cc1)C(=O)CCCN1CCCN(CC1)c1ccc(Cl)cc1
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ncccn1
Fc1ccc(cc1)C(=O)CCCN1C2CCC1CC(C2)c1ccccc1 |TLB:11:12:18.19.17:14.15|
OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccccc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5|
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccc(Cl)cc1
Cc1nc2cccc(c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
Fc1ccc(-c2noc(n2)C2CCN(CC2)c2cnc3ccc(Cl)cc3c2)c(Cl)c1
CN(CCN1CCCCC1)C(=O)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:15.19,wD:12.12,(3.45,4.02,;2.11,3.26,;2.11,1.72,;3.44,.94,;3.44,-.6,;2.1,-1.35,;2.09,-2.88,;3.42,-3.67,;4.76,-2.9,;4.77,-1.36,;.78,4.03,;.79,5.57,;-.55,3.27,;-1.88,4.04,;-3.21,3.27,;-3.21,1.73,;-1.88,.96,;-.55,1.73,;-3.14,.18,;-4.58,-.37,;-4.98,-1.85,;-5.55,.84,;-7.09,.92,;-7.79,2.29,;-6.94,3.6,;-5.4,3.51,;-4.7,2.13,)|
COc1ccc2c(c1)C(=O)O[C@]21CC[C@@H](CC1)C(=O)N(C)CCN1CCCCC1 |r,wU:11.11,wD:14.19,(9.71,4.04,;10.41,2.67,;11.95,2.59,;12.79,3.89,;14.34,3.8,;15.03,2.43,;14.18,1.13,;12.64,1.22,;15.15,-.07,;14.75,-1.56,;16.6,.48,;16.52,2.02,;16.52,3.56,;17.85,4.34,;19.18,3.56,;19.18,2.02,;17.85,1.26,;20.51,4.33,;20.52,5.87,;21.85,3.55,;23.18,4.32,;21.84,2.01,;23.17,1.24,;23.17,-.3,;21.83,-1.06,;21.82,-2.59,;23.15,-3.37,;24.49,-2.61,;24.5,-1.06,)|
CNC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1 |r|
Cc1nc2cccc(c2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1)C(F)(F)F
Cc1nc2cccc(F)c2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
COc1nccc2c1nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(F)cc2)CC1
COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 |r|
COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
COc1c(OCCF)cccc1C(O)C1CCN(CCc2ccc(C)cc2)CC1
COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
[#6]-[#8]-c1cnc2c(-[#6]-[#6]-c3cc(Cl)ccc3\[#6]-2=[#6]-2/[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](-[#6])=O)c1
[#6]-[#8]-c1ccc2-[#6]-[#6]-c3cc(Cl)ccc3\[#6](=[#6]-3/[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](-[#6])=O)-c2n1
[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cc(cnc-12)-[#6](-[#6])=O
CC(=O)N1CCC(CC1)=C1c2ccc(Cl)cc2CCc2ccc(=O)[nH]c12 |(9.5,-16.22,;8.17,-15.43,;6.84,-16.2,;8.2,-13.89,;9.53,-13.14,;9.55,-11.6,;8.22,-10.83,;6.87,-11.58,;6.87,-13.11,;8.22,-9.29,;9.61,-8.62,;10.74,-9.67,;12.21,-9.2,;12.54,-7.71,;14.01,-7.24,;11.42,-6.67,;9.95,-7.12,;8.99,-5.91,;7.47,-5.9,;6.51,-7.12,;5.05,-6.65,;3.9,-7.68,;4.25,-9.19,;3.11,-10.23,;5.7,-9.64,;6.84,-8.61,)|
[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cc(-[#6])cnc-12
[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2c(Cl)ccnc-12
[#6]-[#8]-c1ccnc2c1-[#6]-[#6]-c1cc(Cl)ccc1\[#6]-2=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#6])=O
[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cc(Br)cnc-12
[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2c(-[#8])ccnc-12
[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cc(Cl)cnc-12
[#6]-[#16]-c1cnc2c(-[#6]-[#6]-c3cc(Cl)ccc3\[#6]-2=[#6]-2/[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](-[#6])=O)c1
[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cc(-[#6]-[#8])cnc-12
[#6]-[#6](-[#8])-c1cnc2c(-[#6]-[#6]-c3cc(Cl)ccc3\[#6]-2=[#6]-2/[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](-[#6])=O)c1
[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2ccc(-[#6])nc-12
[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cc(-[#8])cnc-12
[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2ccc(Cl)nc-12
[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cc(cnc-12)-c1ccccc1
[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2c(-[#6])ccnc-12
[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cc(-[#6]=O)cnc-12
Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3ccc4ccc(Cl)cc4n3)c2)cc1
Cc1ccccc1S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c3cc(cc4)NC(=O)OC5CCCC5)C
Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3nc4cc(F)ccc4s3)c2)cc1
Cc1ccccc1N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3cccc4ccccc34)cc12
CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12 |t:8|
Cc1cc2c(Nc3ccccc3N=C2N2CC[N+](C)([O-])CC2)s1 |c:13|
Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1 |c:13|
COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccccn2)(C1)c1ccc(Cl)c(Cl)c1
[#6]-[#8]-c1ccc(-[#6]-[#6]-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#7]/c2nc3ccccc3n2-[#6]-c2ccc(F)cc2)cc1
CCOc1cc(cc(OCC)c1OCC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)(C1)c1ccc(OC)c(OC)c1
COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3[nH]2)(C1)c1ccccc1
COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccncc2)(C1)c1ccccc1
CCOC(=O)CCCn1c(nc2ccccc12)C(=O)C1CCN(CCC2(CCN(C2)C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccc(Cl)c(Cl)c2)CC1
COC(=O)c1ccccc1OCCCCn1c(nc2ccccc12)C(=O)C1CCN(CCC2(CCN(C2)C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc2)CC1
COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)(C1)c1ccccc1
CCOCCn1c(nc2ccccc12)C(=O)C1CCN(CCC2(CCN(C2)C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccc(OC)c(OC)c2)CC1
COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccccn2)(C1)c1ccccc1
COc1ccc(cc1OC)C1(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)CCN(C1)C(=O)c1ccccc1
COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2CCOCc2ccco2)(C1)c1ccccc1
CC(C)Oc1cccc(CC(=O)N2CCC(CCN3CCC(CC3)C(=O)c3nc4ccccc4n3Cc3ccc(F)cc3)(C2)c2ccc3OCOc3c2)c1
COc1ccc(cc1)C1(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccccn2)CCN(C1)C(=O)c1cc(OC)c(OC)c(OC)c1
CCOCCn1c(nc2ccccc12)C(=O)C1CCN(CCC2(CCN(C2)C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccc(Cl)c(Cl)c2)CC1
COc1ccc(cc1OC)C1(CCN2CCC(CC2)C(=O)c2nc3ccccc3[nH]2)CCN(C1)C(=O)c1cc(OC)c(OC)c(OC)c1
COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccco2)(C1)c1ccccc1
COc1ccc(C(=O)N2CCC(CCN3CCC(CC3)C(=O)c3nc4ccccc4n3Cc3ccc(F)cc3)(C2)c2ccc3OCOc3c2)c(OC)c1OC
CCOCCn1c(nc2ccccc12)C(=O)C1CCN(CCC2(CCN(Cc3cc(OC)c(OC)c(OC)c3)C2=O)c2ccc(F)cc2)CC1
COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)(C1)c1ccc(F)cc1F
COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccccn2)(C1)c1ccc(F)cc1
COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)(C1)c1ccc(Cl)c(Cl)c1
COc1ccc(cc1OC)C1(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(cc2)C(O)=O)CCN(C1)C(=O)c1cc(OC)c(OC)c(OC)c1
COc1ccc(cc1OC)C1(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)CCN(C1)C(=O)c1cc(OC)c(OC)c(OC)c1
COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(cc2)C(O)=O)(C1)c1ccccc1
COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3[nH]2)(C1)c1ccc(Cl)c(Cl)c1
COc1ccc(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)cc1
COc1cc(cc(OC)c1OC)C(=O)N1CCCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)(C1)c1ccc(Cl)c(Cl)c1
COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2CCCC(O)=O)(C1)c1ccc(Cl)c(Cl)c1
COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)(C1)c1ccc(cc1)C(F)(F)F
CCOCCn1c(nc2ccccc12)C(=O)C1CCN(CCC2(CCN(C2)C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc2)CC1
COC(=O)c1ccc(Cn2c(nc3ccccc23)C(=O)C2CCN(CCC3(CCN(C3)C(=O)c3cc(OC)c(OC)c(OC)c3)c3ccc(OC)c(OC)c3)CC2)cc1
COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2CCN2CCOCC2)(C1)c1ccc(Cl)c(Cl)c1
COC(=O)c1ccc(Cn2c(nc3ccccc23)C(=O)C2CCN(CCC3(CCN(C3)C(=O)c3cc(OC)c(OC)c(OC)c3)c3ccccc3)CC2)cc1
COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)(C1)c1ccc2OCOc2c1
COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2CCCCOc2ccccc2C(O)=O)(C1)c1ccccc1
Fc1ccc(Cn2c(nc3ccccc23)C(=O)C2CCN(CCC3(CCN(C3)C(=O)c3ccc(Cl)cc3Cl)c3ccc4OCOc4c3)CC2)cc1
COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2Cc2cccnc2)(C1)c1ccccc1
Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCC2)cc1
Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3Sc3ccc(CC(O)=O)cc23)CC1
Cn1c(cc(=O)n(C)c1=O)N1CCN(CCCN2c3ccccc3Sc3ccc(CC(O)=O)cc23)CC1
Cn1c(cc(=O)n(C)c1=O)N1CCN(CCCCN2c3ccccc3Sc3ccc(cc23)C(O)=O)CC1
Cn1c(cc(=O)n(C)c1=O)N1CCN(CCN2c3ccccc3Sc3ccc(cc23)C(O)=O)CC1
Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3Sc3c2cccc3C(O)=O)CC1
Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3Sc3cccc(C(O)=O)c23)CC1
Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3Sc3ccc(cc23)C(O)=O)CC1
Cn1c(cc(=O)n(C)c1=O)N1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(O)=O)CC1
CN(CCCN1CCC(CN2c3ccccc3Sc3ccc(cc23)C(O)=O)CC1)c1cc(=O)n(C)c(=O)n1C
Cn1c(NCCCN2CCC(CN3c4ccccc4Sc4ccc(cc34)C(O)=O)CC2)cc(=O)n(C)c1=O
Cn1c(NCCCN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)cc(=O)n(C)c1=O
Cn1c(NCCCN2CCC(CC2)Oc2ccc(Cl)cc2C(O)=O)cc(=O)n(C)c1=O
Cn1c(cc(=O)n(C)c1=O)C1=CCN(CCCN2c3ccccc3Sc3ccc(CC(O)=O)cc23)CC1 |t:11|
Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3Sc3ccc(\C=C/C(O)=O)cc23)CC1
Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3Sc3ccc(OCC(O)=O)cc23)CC1
CCC(C(O)=O)c1ccc2Sc3ccccc3N(CCCN3CCCN(CC3)c3cc(=O)n(C)c(=O)n3C)c2c1
Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3Sc3ccc(cc23)C(C)(C)C(O)=O)CC1
CC(C(O)=O)c1ccc2Sc3ccccc3N(CCCN3CCCN(CC3)c3cc(=O)n(C)c(=O)n3C)c2c1
Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3Sc3ccc(CCC(O)=O)cc23)CC1
Cn1c(cc(=O)n(C)c1=O)N1CCN(CCCN2c3ccccc3Sc3ccc(CCC(O)=O)cc23)CC1
COc1cccc2c1O[C@H]([C@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r|
CN(C)CCC1=C(Cc2ccc(F)cc2)c2ccccc2C1 |c:5|
CN(C)CCC1=C(Cc2cnccn2)c2ccccc2C1 |c:5|
C[C@H](C1=C(CCN(C)C)Cc2ccccc12)c1cnccn1 |r,c:2|
C[C@H](c1c(CCN(C)C)sc2ccccc12)c1ccccn1 |r|
CN(C)CCc1sc2ccccc2c1Cc1ccc(F)cc1
CN(C)CCc1sc2ccccc2c1Cc1cnccn1
C[C@H](c1c(CCN(C)C)oc2ccccc12)c1ccccn1 |r|
CN(C1CCOCC1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
CNC1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
CN(C1CCCCC1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
CN(CC1CCCCC1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
CN(CCc1ccccc1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
CN(Cc1ccccc1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
CN(C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1)c1ccccc1
CN(C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1)c1ncccn1
CN(C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1)c1nccc(=O)[nH]1
COc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)n2cc(C)cn2)cc1
Cc1cnn(c1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
Fc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)n2cccn2)cc1
Fc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)n2ccnc2)cc1
Fc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)n2cccc2)cc1
Fc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)N2CCCCC2=O)cc1
CN(C)CCN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
COc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)NCC2CCOCC2)cc1
Fc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)NCC2CCOCC2)cc1
CN(CCO)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
COCCN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
COc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)N(C)CC2CCOCC2)cc1
CN(CC1CCOCC1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
COc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)N(C)C)cc1
CN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(C)cc1
CN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)nc1
Cc1ccc(CCCCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
OC(=O)c1ccc(CCCCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
CC1CCC(CCCCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)CC1 |(10.08,-37.25,;8.75,-36.48,;7.41,-37.24,;6.08,-36.46,;6.09,-34.92,;4.76,-34.15,;3.42,-34.91,;2.09,-34.13,;.76,-34.9,;-.57,-34.12,;-1.91,-34.88,;-3.23,-34.11,;-3.23,-32.57,;-1.9,-31.8,;-.57,-32.58,;-4.56,-31.8,;-5.9,-31.03,;-4.56,-30.26,;-3.22,-29.5,;-3.21,-27.96,;-4.55,-27.19,;-5.89,-27.96,;-5.88,-29.5,;-5.89,-32.57,;-7.22,-31.79,;-8.55,-32.56,;-8.56,-34.1,;-7.21,-34.87,;-5.88,-34.1,;7.42,-34.16,;8.75,-34.93,)|
OC(C1CCNCC1)(c1ccccc1)c1ccccc1
COC(=O)c1ccc(CCCCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
Cc1ccc(CCCCN2CCCCC2)cc1
Cc1ccc(CCCCN2CCC(CC2)C(O)c2ccccc2)cc1
Cc1ccc(CN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
Cc1ccc(CCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
Cc1ccc(CCCN2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |wU:10.13,7.6,(-.96,2.96,;-2.29,2.19,;-3.63,2.96,;-2.28,.65,;-.95,-.12,;-.93,-1.66,;.4,-2.41,;1.73,-1.66,;3.06,-2.43,;4.39,-1.66,;4.39,-.12,;3.06,.65,;1.73,-.12,;5.74,.65,;7.07,-.12,;7.07,-1.66,;8.4,.65,;9.74,-.12,;11.07,.65,;11.07,2.19,;12.4,2.96,;9.71,2.96,;9.71,4.5,;8.4,2.19,;-2.26,-2.43,;-3.61,-1.66,;-4.94,-2.45,;-6.27,-1.68,;-6.27,-.14,;-4.94,.65,;-3.61,-.12,)|
CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)cc2)n1 |r,wU:13.16,10.9,(29.59,5.32,;28.26,4.54,;26.92,5.31,;28.26,3,;26.93,2.23,;26.93,.69,;25.6,-.08,;28.26,-.08,;29.6,.69,;30.94,-.08,;32.27,.69,;33.6,-.09,;34.93,.68,;34.93,2.22,;33.6,2.99,;32.26,2.22,;36.27,2.99,;37.6,2.21,;37.6,.67,;38.94,2.98,;40.26,2.2,;41.6,2.97,;41.6,4.51,;42.94,5.28,;40.26,5.28,;38.93,4.51,;29.6,2.24,)|
CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)c(Cl)c2)n1 |r,wU:13.16,10.9,(28.39,-11.98,;27.06,-12.75,;25.72,-11.99,;27.06,-14.29,;25.73,-15.07,;25.73,-16.61,;24.4,-17.38,;27.07,-17.38,;28.4,-16.61,;29.74,-17.38,;31.07,-16.6,;32.4,-17.38,;33.73,-16.62,;33.74,-15.08,;32.4,-14.31,;31.06,-15.07,;35.07,-14.31,;36.4,-15.08,;36.4,-16.62,;37.74,-14.32,;37.73,-12.78,;39.06,-12.01,;40.4,-12.79,;41.74,-12.02,;40.4,-14.33,;41.73,-15.1,;39.07,-15.09,;28.4,-15.06,)|
CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)n1 |r,wU:13.16,10.9,(-7.5,-21.66,;-8.83,-22.43,;-10.16,-21.66,;-8.82,-23.97,;-10.15,-24.74,;-10.15,-26.29,;-11.5,-27.05,;-8.82,-27.06,;-7.48,-26.28,;-6.15,-27.05,;-4.82,-26.28,;-3.48,-27.06,;-2.16,-26.29,;-2.15,-24.75,;-3.48,-23.98,;-4.82,-24.75,;-.81,-23.99,;.52,-24.76,;.51,-26.3,;1.85,-23.99,;3.18,-24.77,;4.51,-24,;4.52,-22.46,;3.18,-21.69,;1.85,-22.46,;3.17,-20.15,;4.51,-19.38,;1.84,-19.38,;4.66,-20.55,;5.84,-24.78,;5.84,-26.32,;7.18,-24.01,;4.75,-25.86,;-7.49,-24.73,)|
CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(C)c2)ncc1C |r,wU:10.13,7.6,(12.45,-21.86,;11.11,-22.63,;9.78,-21.87,;11.12,-24.17,;12.45,-24.94,;12.46,-26.49,;13.79,-27.25,;15.13,-26.48,;16.46,-27.26,;17.79,-26.5,;17.79,-24.95,;16.46,-24.18,;15.12,-24.95,;19.13,-24.19,;20.46,-24.96,;20.46,-26.5,;21.8,-24.19,;21.79,-22.66,;23.12,-21.89,;24.46,-22.66,;24.46,-24.21,;25.79,-24.98,;23.12,-24.97,;11.12,-27.26,;9.79,-26.49,;9.79,-24.94,;8.46,-24.17,)|
CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(C)cc2)ncc1C |r,wU:10.13,7.6,(30.97,-21.81,;29.64,-22.58,;28.3,-21.82,;29.64,-24.12,;30.98,-24.89,;30.98,-26.44,;32.32,-27.21,;33.65,-26.43,;34.98,-27.21,;36.31,-26.45,;36.32,-24.91,;34.98,-24.13,;33.64,-24.9,;37.65,-24.14,;38.98,-24.91,;38.98,-26.45,;40.32,-24.15,;41.64,-24.92,;42.98,-24.16,;42.98,-22.62,;44.32,-21.85,;41.64,-21.84,;40.31,-22.61,;29.65,-27.21,;28.31,-26.44,;28.31,-24.89,;26.98,-24.13,)|
CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)cc2)ncc1C |r,wU:10.13,7.6,(-7.01,-30.72,;-8.34,-31.5,;-9.67,-30.73,;-8.33,-33.04,;-7,-33.8,;-6.99,-35.35,;-5.66,-36.12,;-4.33,-35.35,;-2.99,-36.13,;-1.67,-35.36,;-1.66,-33.82,;-2.99,-33.05,;-4.33,-33.82,;-.32,-33.05,;1.01,-33.83,;1,-35.37,;2.34,-33.06,;3.67,-33.84,;5,-33.07,;5.01,-31.53,;6.34,-30.76,;3.67,-30.76,;2.34,-31.53,;-8.33,-36.12,;-9.66,-35.35,;-9.66,-33.81,;-11,-33.04,)|
CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)cc2)ncc1C |r,wU:10.13,7.6,(10.35,-30.66,;9.02,-31.44,;7.69,-30.67,;9.03,-32.98,;10.36,-33.74,;10.37,-35.29,;11.7,-36.06,;13.03,-35.29,;14.37,-36.07,;15.69,-35.3,;15.7,-33.76,;14.37,-32.99,;13.03,-33.76,;17.04,-32.99,;18.37,-33.77,;18.36,-35.31,;19.7,-33,;21.03,-33.78,;22.36,-33.01,;22.37,-31.47,;23.7,-30.7,;21.03,-30.7,;19.7,-31.47,;9.03,-36.06,;7.7,-35.29,;7.7,-33.75,;6.36,-32.98,)|
CN(C)c1nc(N[C@@H]2CC[C@H](CNC(=O)c3ccc(F)c(F)c3)CC2)ncc1C |r,wU:7.6,10.10,(-5.16,-5.44,;-6.49,-6.21,;-7.82,-5.45,;-6.48,-7.75,;-5.15,-8.52,;-5.14,-10.07,;-3.81,-10.84,;-2.47,-10.06,;-1.14,-10.84,;.19,-10.08,;.19,-8.54,;1.53,-7.77,;2.86,-8.54,;4.19,-7.77,;4.2,-6.23,;5.53,-8.55,;5.53,-10.08,;6.86,-10.86,;8.19,-10.09,;9.52,-10.87,;8.2,-8.55,;9.53,-7.78,;6.85,-7.78,;-1.14,-7.76,;-2.48,-8.53,;-6.48,-10.84,;-7.81,-10.07,;-7.81,-8.52,;-9.15,-7.75,)|
CN(C)c1nc(N[C@@H]2CC[C@H](CNC(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)CC2)ncc1C |r,wU:10.10,7.6,(-4.66,-23.98,;-5.99,-24.76,;-7.33,-23.99,;-5.98,-26.3,;-4.65,-27.06,;-4.64,-28.61,;-3.31,-29.38,;-1.98,-28.61,;-.65,-29.38,;.68,-28.62,;.69,-27.08,;2.02,-26.31,;3.36,-27.08,;4.69,-26.32,;4.7,-24.78,;6.02,-27.09,;7.35,-26.32,;8.69,-27.09,;8.69,-28.63,;7.36,-29.4,;6.03,-28.62,;7.35,-30.94,;6.01,-31.7,;8.68,-31.72,;5.86,-30.53,;10.03,-26.32,;11.36,-27.09,;10.03,-24.78,;10.43,-27.81,;-.65,-26.31,;-1.99,-27.07,;-5.98,-29.38,;-7.32,-28.61,;-7.31,-27.07,;-8.65,-26.3,)|
CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
CN1CCN(CC1)c1cc(NCc2ccccc2Cl)nc(N)n1
CN1CCN(CC1)c1cc(NCc2ccccc2C)nc(N)n1
CN1CCN(CC1)c1cc(NCc2ccc(F)cc2)nc(N)n1
CN1CCN(CC1)c1cc(NCc2c(Cl)cccc2Cl)nc(N)n1
CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccc(C)nc1
CN1CCc2c(C1)c1cc(F)ccc1n2CCc1ccccc1
COc1ccc2n(CCc3ccccc3)c3CCN(C)Cc3c2c1
CN1CCc2c(C1)c1cc(ccc1n2CCc1ccccc1)C(F)(F)F
COc1ccc(CCn2c3CCN(C)Cc3c3cc(F)ccc23)cc1
CN1CCc2c(C1)c1cc(F)ccc1n2CCc1ccc(cc1)C(F)(F)F
CN1CCc2c(C1)c1cc(F)ccc1n2CCc1ccc(C)cc1
COc1ccc(CCn2c3CCN(C)Cc3c3cc(C)ccc23)cc1
CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccc(cc1)C(F)(F)F
CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccc(F)cc1
CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccc(C)cc1
CN1CCc2c(C1)c1cc(C)ccc1n2\C=C/c1ccccc1
CN1CCC2C(C1)c1ccccc1N2\C=C\c1ccccc1
CN1CCc2c(C1)c1ccccc1n2\C=C/c1ccccc1
CCOC[C@@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1 |r|
COc1ccc2c3C(CN)c4ccccc4Cc3ccc2c1
C(Cc1ccccc1)NCC1c2ccccc2Cc2ccccc12
C(CNCC1c2ccccc2Cc2ccccc12)Cc1ccccc1
C(CCc1ccccc1)CNCC1c2ccccc2Cc2ccccc12
CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)S(=O)(=O)N(C)C)cc(OCC)c1-n1cccc1
CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)S(=O)(=O)CC)cc(OC2CCOCC2)c1
CCOc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)cc(OC2CCOCC2)c1
CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)S(N)(=O)=O)cc(OCC)c1N
CCOc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)ccc1Cl
CCOc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)ccc1F
CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)S(N)(=O)=O)ccc1OC
CCOc1cc(CN2CCC(CC2)Nc2nc3cc(NC(=O)C4CCC4)ccc3o2)ccc1OC
CCOc1cc(CN2CCC(CC2)Nc2nc3cc(Cl)c(cc3o2)S(N)(=O)=O)ccc1OC
CCOc1cc(CN2CCC(CC2)Nc2nc3cc(Cl)c(cc3o2)S(N)(=O)=O)ccc1F
CCOc1cc(CN2CCC(CC2)Nc2nc3cc(NS(=O)(=O)c4ccccc4)ccc3o2)ccc1OC
Clc1cccc(c1)N1CCN(CC2CCCCN2)C1=O
C(C1CCCCN1)N1CCN(C1)c1ccccc1
CN(C)CCC1=C(Cc2cncc(C)n2)c2ccccc2C1 |c:5|
CN(C)CCC1=C(Cc2nccnc2C)c2ccccc2C1 |c:5|
CN(C)CCC1=C(Cc2cnc(C)cn2)c2ccccc2C1 |c:5|
COc1nccnc1CC1=C(CCN(C)C)Cc2ccccc12 |c:10|
CN(C)CCC1=C(Cc2cccnn2)c2ccccc2C1 |c:5|
CN(C)CCC1=C(Cc2ncccn2)c2ccccc2C1 |c:5|
COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2ccccc12 |r,c:11|
C[C@H](C1=C(CCN(C)C)Cc2ccccc12)c1nccs1 |r,c:2|
C[C@H](C1=C(CCN(C)C)Cc2ccccc12)c1nc(C)cs1 |r,c:2|
C[C@H](C1=C(CCN(C)C)Cc2cc(C)ccc12)c1cnccn1 |r,c:2|
COc1ccc2C([C@@H](C)c3cnccn3)=C(CCN(C)C)Cc2c1 |r,t:15|
COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(C)ccc12 |r,c:11|
COc1ccc2C([C@@H](C)c3nccnc3OC)=C(CCN(C)C)Cc2c1 |r,t:17|
COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(F)ccc12 |r,c:11|
C[C@H](C1=C(CCN(C)C)Cc2cc(F)ccc12)c1nccs1 |r,c:2|
C[C@H](C1=C(CCN(C)C)Cc2cc(C)ccc12)c1nccs1 |r,c:2|
COc1ccc2C([C@@H](C)c3nccs3)=C(CCN(C)C)Cc2c1 |r,t:14|
CN(C)CCC1=C(Cc2cnccn2)c2ccc(C)cc2C1 |c:5|
COc1ccc2C(Cc3cnccn3)=C(CCN(C)C)Cc2c1 |t:14|
CN(C)CCC1=C(Cc2cnccn2)c2ccc(Cl)cc2C1 |c:5|
CN(C)CCC1=C(Cc2cnccn2)c2ccc(F)cc2C1 |c:5|
COc1nccnc1CC1=C(CCN(C)C)Cc2cc(Cl)ccc12 |c:10|
COc1nccnc1CC1=C(CCN(C)C)Cc2cc(F)ccc12 |c:10|
CN(C)CCC1=C(Cc2cccnn2)c2ccc(Cl)cc2C1 |c:5|
CN(C)CCC1=C(Cc2cccnn2)c2ccc(F)cc2C1 |c:5|
CCOCCn1c(nc2ccccc12)N1CC[C@@H](C1)N(C)C |r|
COc1ccc(Cn2c(nc3ccccc23)N2CC[C@H](C2)N(C)C)cc1 |r|
CC(C)(C)c1ccc(SCCc2cnc[nH]2)cc1
Cc1cc(OCCCN2C[C@H]3CCCN[C@H]3C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1 |r|
Cc1cc(OCCCNCCc2cnc[nH]2)ccc1-c1nc2ccc(F)c(C)c2[nH]1
Cc1cc(OCCCN2CCc3nc[nH]c3C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1
CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|
CN1CCN(CC1)C(c1nnnn1Cc1ccccc1)c1ccccc1
CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2ccccn2)cc1
CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2cccnc2)cc1
FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2ccncc2)cc1
FC(F)(F)c1ccc(SC[C@@H](C2CCNCC2)c2cnc[nH]2)cc1 |r|
FC(F)(F)c1ccc(SC[C@H](C2CCNCC2)c2cnc[nH]2)cc1 |r|
C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Cn1nnc(n1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
Cn1cc(nn1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
NCc1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
CC(=O)NCc1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cl)cc12
CN1CCN(CC1)[C@@H]1Cc2ccccc2Sc2ccc(Cl)cc12
CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
CN1CCN(CC1)[C@@H]1Cc2ccccc2Sc2ccc(CNC(C)=O)cc12 |r|
CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(CNC(C)=O)cc12 |r|
CC(C)C(=O)NCc1ccc2Sc3ccccc3C[C@@H](N3CCN(C)CC3)c2c1 |r|
CC(C)C(=O)NCc1ccc2Sc3ccccc3C[C@H](N3CCN(C)CC3)c2c1 |r|
OC(=O)C1CN(C1)C1CCC2(C1)Cc1ccccc1Oc1ccccc21
OC(=O)C1CN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r|
OC(=O)[C@]12C[C@H]1CN(C2)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r|
OC(=O)C1CCN(CC1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r|
OC(=O)C1=CCCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r,t:3|
OC(=O)C1CCN(CC1)C1CCC2(C1)c1ccccc1Sc1ccc(F)cc1C2=O
OC(=O)C1CCN(CC1)C1CCC2(C1)c1ccccc1Oc1ccc(Cl)cc1C2=O
OC(=O)[C@@H]1CCCN(C1)C1CCC2(C1)Cc1ccccc1Oc1ccccc21 |r|
OC(=O)C1CCN(CC1)C1CCC2(C1)Cc1ccccc1Oc1ccccc21
OC(=O)C1=CCN(CC1)C1CCC2(C1)Cc1ccccc1Oc1ccccc21 |t:3|
OC(=O)C1=CCCN(C1)C1CCC2(C1)Cc1ccccc1Oc1ccccc21 |t:3|
[#8]-[#6](=O)\[#6]=[#6]-1/[#6]-[#7](-[#6]-1)-[#6]-1-[#6]-[#6]C2([#6]-1)[#6]-c1ccccc1-[#6]-c1ccccc21
OC(=O)CC1CN(C1)C1CCC2(C1)Cc1ccccc1Cc1ccccc21
OC(=O)[C@@H]1[C@H]2CN(C[C@@H]12)C1CCC2(C1)Cc1ccccc1Cc1ccccc21 |r|
OC(=O)CC1CCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r|
CC1(CCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21)C(O)=O |r|
OC(=O)C1CCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r|
OC(=O)C1CN(CCN1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r|
OC(=O)C1(F)CCCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r|
OC(=O)[C@@H]1CCCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r|
OC(=O)CC1CCN(CC1)C1CCC2(C1)Cc1ccccc1Cc1ccccc21
OC(=O)C1(F)CCN(CC1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r|
OC(=O)C1(O)CCN(CC1)C1CCC2(C1)Cc1ccccc1Cc1ccccc21
OC(=O)C1=CCN(CC1)C1CCC2(C1)Cc1ccccc1Cc1ccccc21 |t:3|
COC(=O)C1=CCCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r,t:4|
OC(=O)C1=CCCN(C1)C1CC[C@]2(C1)Cc1ccccc1Cc1ccccc21 |r,t:3|
OC(=O)CCNC1CC[C@]2(C1)Cc1ccccc1Cc1ccccc21 |r|
CN(C)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r|
[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccsc2-[#6](=O)-[#6]-c2ccccc-12
OC(=O)[C@@H]1CCCN(C1)C1CCC2(C1)c1ccccc1Oc1ccc(Cl)cc1C2=O |r|
OC(=O)C1=CCCN(C1)C1CCC2(C1)c1ccccc1Cc1ccccc1C2=O |t:3|
OC(=O)C1(F)CCN(CC1)C1CCC2(C1)Cc1ccccc1Oc1ccccc21
CC1(CCN(CC1)C1CCC2(C1)Cc1ccccc1Cc1ccccc21)C(O)=O
OC(=O)C1=CCCN(C1)C1CCC2(C1)Cc1cc(F)ccc1Cc1ccccc21 |t:3|
OC(=O)CCNC1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r|
COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r|
OC(=O)C1CN(CCO1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r|
Fc1cccc(CCN[C@@H]2C3C4CC5C6CC(C3C46)C25)c1 |r,THB:10:17:15:13.19,9:19:17.18:15,11:18:15:13.19,12:13:17.18:15|
CCN(C)CCC1=C(Cc2cnccn2)c2ccccc2C1 |c:6|
CCCN(C)CCC1=C(Cc2cnccn2)c2ccccc2C1 |c:7|
CN(CCF)CCC1=C(Cc2cnccn2)c2ccccc2C1 |c:7|
C[C@H](C1=C(CCN(C)CCF)Cc2ccccc12)c1cnccn1 |r,c:2|
C[C@H](C1=C(CCN(C)CC#N)Cc2ccccc12)c1cnccn1 |r,c:2|
C[C@H](C1=C(CCN(C)CCC#N)Cc2ccccc12)c1cnccn1 |r,c:2|
C[C@H](C1=C(CCN(C)CCC(F)(F)F)Cc2ccccc12)c1cnccn1 |r,c:2|
C(CC1=C(Cc2cnccn2)c2ccccc2C1)N1CCC1 |c:2|
C(CC1=C(Cc2cnccn2)c2ccccc2C1)N1CCCC1 |c:2|
FC1CN(CCC2=C(Cc3cnccn3)c3ccccc3C2)C1 |c:6|
FC1(F)CN(CCC2=C(Cc3cnccn3)c3ccccc3C2)C1 |c:7|
FC1(F)CCN(CCC2=C(Cc3cnccn3)c3ccccc3C2)C1 |c:8|
FC1CCN(CCC2=C(Cc3cnccn3)c3ccccc3C2)C1 |c:7|
C[C@H](C1=C(CCN(C)Cc2ccco2)Cc2ccccc12)c1cnccn1 |r,c:2|
C[C@H](C1=C(CCN(C)Cc2cccs2)Cc2ccccc12)c1cnccn1 |r,c:2|
C[C@H](C1=C(CCN(C)Cc2nccs2)Cc2ccccc12)c1cnccn1 |r,c:2|
C[C@H](C1=C(CCN(C)Cc2ncco2)Cc2ccccc12)c1cnccn1 |r,c:2|
C[C@H](C1=C(CCN(C)Cc2ncc[nH]2)Cc2ccccc12)c1cnccn1 |r,c:2|
C[C@H](C1=C(CCN(C)Cc2nccn2C)Cc2ccccc12)c1cnccn1 |r,c:2|
C[C@H](C1=C(CCN(C)Cc2ccccn2)Cc2ccccc12)c1cnccn1 |r,c:2|
C[C@H](C1=C(CCN(C)Cc2ccncc2)Cc2ccccc12)c1cnccn1 |r,c:2|
C[C@H](C1=C(CCN(C)Cc2cnccn2)Cc2ccccc12)c1cnccn1 |r,c:2|
C[C@H](C1=C(CCN(C)CC2CCOCC2)Cc2ccccc12)c1cnccn1 |r,c:2|
CN1CCC[C@@H]1Cn1nc(Cc2ccc(F)c(F)c2)c2ccccc2c1=O |r|
CN1CCC[C@@H]1Cn1nc(Cc2ccc(C)cc2)c2ccccc2c1=O |r|
CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |r|
CN1CCC[C@@H]1Cn1nc(Cc2ccc(O)cc2)c2ccccc2c1=O |r|
COc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1 |r|
Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 |r|
COc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 |r|
Oc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 |r|
CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 |r|
COc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1OC |r|
CN1CCC[C@@H]1Cn1nc(Cc2ccc(cc2)C(O)=O)c2ccccc2c1=O |r|
COC(=O)c1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1 |r|
CN1CCC[C@@H]1Cn1nc(CC2CCCCC2)c2ccccc2c1=O |r|
CN1CCC[C@@H]1Cn1nc(Cc2ccc(cc2)C(C)(C)C)c2ccccc2c1=O |r|
CN1CCCC1CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
Clc1ccc(Cc2nn(CCNCCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1
Clc1ccc(Cc2nn(C3CCCN(Cc4ccc(OCCCN5CCCCCC5)cc4)CC3)c(=O)c3ccccc23)cc1
CN(CCCCc1ccc(OCCCN2CCCCCC2)cc1)CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
CN1CCC[C@@H]1Cn1nc(CCc2ccccc2)c2ccccc2c1=O |r|
Clc1ccc(Cc2nn(C[C@@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 |r|
Clc1ccc(Cc2nn(C3CCCN(CCCCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c(=O)c3ccccc23)cc1
Clc1ccc(Cc2nn(C3CCCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c(=O)c3ccccc23)cc1
Clc1ccc(Cc2nn(C3CCCN(CCCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c(=O)c3ccccc23)cc1
CN(C)CCCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
CN1CCC(Cn2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)C1
CCOc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1 |r|
CN1CCCCC(C1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
COc1cccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)c1 |r|
CN1CCC[C@@H]1Cn1nc(Cc2cccc(Cl)c2)c2ccccc2c1=O |r|
CCCCCc1nn(C[C@H]2CCCN2C)c(=O)c2ccccc12 |r|
CN1CCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
CN1CCC[C@@H]1Cn1nc(Cc2cccc(C)c2)c2ccccc2c1=O |r|
CN1CCC[C@@H]1Cn1nc(Cc2cccc(F)c2)c2ccccc2c1=O |r|
CN1CCC[C@@H]1Cn1nc(Cc2ccc(F)cc2)c2ccccc2c1=O |r|
CN1CCC[C@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |r|
CN(C)CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3CCc3ccc(cc23)C(O)=O)CC1
Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3cc(ccc3COc3ccccc23)C(O)=O)CC1
Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3COc3ccc(cc23)C(C)(C)C(O)=O)CC1
CC(C(O)=O)c1ccc2OCc3ccccc3N(CCCN3CCCN(CC3)c3cc(=O)n(C)c(=O)n3C)c2c1
Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3COc3ccc(CC(O)=O)cc23)CC1
Cn1c(cc(=O)n(C)c1=O)N1CCN(CCCN2c3ccccc3COc3ccc(CC(O)=O)cc23)CC1
Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3COc3ccc(cc23)C(O)=O)CC1
Cn1c(cc(=O)n(C)c1=O)N1CCN(CCCN2c3ccccc3COc3ccc(cc23)C(O)=O)CC1
Cn1c(cc(=O)n(C)c1=O)N1CCCN(CC\C=C2\c3ccccc3CCc3ccc(cc23)C(O)=O)CC1
Cn1c(cc(=O)n(C)c1=O)N1CCCN(CC\C=C2\c3ccccc3CCc3ccc(CC(O)=O)cc23)CC1
Cn1c(cc(=O)n(C)c1=O)N1CCN(CC\C=C2\c3ccccc3CCc3ccc(CC(O)=O)cc23)CC1
Cn1c(cc(=O)n(C)c1=O)N1CCCN(CC\C=C2\c3ccccc3COc3ccc(cc23)C(O)=O)CC1
Cn1c(cc(=O)n(C)c1=O)N1CCN(CC\C=C2\c3ccccc3COc3ccc(cc23)C(O)=O)CC1
Cn1c(cc(=O)n(C)c1=O)N1CCCN(CC\C=C2\c3ccccc3COc3ccc(CC(O)=O)cc23)CC1
Cn1c(cc(=O)n(C)c1=O)N1CCN(CC\C=C2/c3ccccc3COc3ccc(CC(O)=O)cc23)CC1
Cn1c(cc(=O)n(C)c1=O)N1CCN(CC\C=C2\c3ccccc3COc3ccc(CC(O)=O)cc23)CC1
Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3CCc3ccc(cc23)C(C)(C)C(O)=O)CC1
Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3CCc3ccc(CC(O)=O)cc23)CC1
O=C(NCCC1CCCCC1)OCCCc1cnc[nH]1
CC\C=C/CNC(=O)OCCCc1cnc[nH]1
CC=CCNC(=O)OCCCc1cnc[nH]1 |w:1.0|
O=C(NCCCC1CCCCC1)OCCCc1cnc[nH]1
C=CCCNC(=O)OCCCc1cnc[nH]1
O=C(NCCCCC1CCCCC1)OCCCc1cnc[nH]1
O=C(NCCC1=CCCCC1)OCCCc1cnc[nH]1 |t:5|
OC12C3C4C5C3C(C3C5CC4C13)N2CCCC(=O)c1ccc(F)cc1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
COc1ccc2n(CCc3ccccn3)c3CCN(C)Cc3c2c1
CN1CCc2c(C1)c1cc(ccc1n2CCc1ccccn1)-c1cccnc1
CN1CCC(CC1)N1CCc2c(C1)c1cc(C)ccc1n2CCc1ccncc1
CN1CCc2c(C1)c1cc(C)ccc1n2CCc1cnccn1
CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccccn1
CN1CCc2c(C1)c1cc(ccc1n2CCc1cccnc1)C(F)(F)F
CN1CCc2c(C1)c1cc(ccc1n2CCc1ccncc1)C(O)=O
CN1CCC(CC1)N1CCc2c(C1)c1cc(C)ccc1n2CCc1ccccn1
CN1CCc2c(C1)c1ccccc1n2CCc1cccnc1
CN1CCc2c(C1)c1cc(F)ccc1n2CCc1ccc(C)nc1
CN1CCc2c(C1)c1cc(Br)ccc1n2CCc1ccccn1
CN1CCc2c(C1)c1ccccc1n2CCc1ccncc1
CN1CCc2c(C1)c1cc(F)ccc1n2CCc1ccncc1
CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccncc1
CN1CCc2c(C1)c1cc(ccc1n2CCc1ccncc1)C(F)(F)F
COc1ccc2n(CCc3ccncc3)c3CCN(C)Cc3c2c1
CN1CCc2c(C1)c1cc(C)ccc1n2CCc1cccnc1
CN1CCc2c(C1)c1cc(ccc1n2CCc1ccccn1)C(F)(F)F
CN1CCc2c(C1)c1cc(F)ccc1n2CCc1ccccn1
CN1CCc2c(C1)c1cc(F)ccc1n2CCc1cccnc1
CN1CCc2c(C1)c1ccccc1n2CCc1ccccn1
CN1CCc2c(C1)c1cc(ccc1n2CCc1ccccn1)C#N
CN1CCC(CC1)N1CCc2c(C1)c1cc(C)ccc1n2CCc1cccnc1
OC12CC3CC(CC(C3)N1Cc1ccccc1)C2 |TLB:8:7:17:2.3.4,8:3:9.7.6:17,4:5:9:2.8.3,THB:4:3:9:6.5.17,10:9:17:2.3.4|
OC12CC3CC(CC(C3)N1Cc1cccc(F)c1)C2 |TLB:8:7:18:2.3.4,8:3:9.7.6:18,4:5:9:2.8.3,THB:4:3:9:6.5.18,10:9:18:2.3.4|
C(N1C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:10:9:7:3.4.5,THB:10:4:1.9.8:7,5:4:1:8.6.7,5:6:1:3.10.4,0:1:7:3.4.5|
Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1 |TLB:16:15:13:9.10.11,THB:16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,6:7:13:9.10.11|
CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1 |r|
CN1CCN(CC1)c1cc(NCCC(C)(C)C)ncn1
C(c1ccccc1)c1ccccc1OC1CCNCC1
CN1CCN(CC1)c1nc(N2CCCC2)c2cnn(C)c2n1
NC1=Nc2nc3ccccc3n2C(N1)c1ccccc1 |t:1|
CN(C)CCSc1nc2ccccc2c2nnnn12
OCCN1CCN(CC1)c1ncnc2sccc12
CNCCCOc1cccc2ccccc12
C1CCN(C1)c1nc(nc(n1)N1CCNCC1)N1CCCC1
C(Cn1cnn2c3ccccc3nc12)N1CCCCC1
C1CCC(C1)N1CCN(CC1)c1ncnc2ccccc12
C(Cn1c2ccccc2n2ncnc12)N1CCCCC1
CC(C)[NH2+]Cc1ccc(o1)-c1ccccc1
OC(CNC1CC1)Cn1c2ccccc2c2ccccc12
NCCSc1nc(C2CCCCC2)n(n1)-c1ccccc1
C=CCn1c2ccccc2n(CC(=O)c2ccccc2)c1=N
C(Cn1c(cc2cccnc12)C1CCCO1)N1CCCCC1
NCCc1ccccc1Oc1ccccc1
Cc1cccc2c(CCN)cn(Cc3ccccc3)c12
CNCC(O)CN1C2CCCCC2c2ccccc12
OCCN1CCN(CC1)c1ncnc2c3ccccc3oc12
C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
CS(=O)(=O)CCCOc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
O=S1(=O)CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
O=S1(=O)CCC(COc2ccc3OC4(CCN(CC4)C4CCC4)CCc3c2)CC1
CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1CCOc1ccccc1
Cc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCO2)cc1 |r|
Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCO2)cc1 |r|
Cc1ccc(Cn2c(nc3ccccc23)C2CNCCO2)cc1C
Cc1ccc(Cn2c(nc3ccccc23)C2CNCCS2)cc1
Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r|
COc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r|
CN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1
CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1
CCN(CC)C(=O)CN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1
Fc1ccc(Cn2c(nc3ccccc23)C2CCCN(CC(=O)N3CCCCC3)C2)cc1
Fc1ccc(Cn2c(nc3ccccc23)C2CCCN(CC(=O)N3CCOCC3)C2)cc1
Fc1ccc(Cn2c(nc3ccccc23)C2CCCN(Cc3ncco3)C2)cc1
OCCN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1
Fc1ccc(Cn2c(nc3ccccc23)[C@@H]2CCCNC2)cc1 |r|
CN1CCC[C@H](C1)c1nc2ccccc2n1Cc1ccc(F)cc1 |r|
C(Cn1c(nc2ccccc12)C1CCCNC1)Oc1ccccc1
CN1CCCC(C1)c1nc2ccccc2n1CCOc1ccccc1
C(Cn1c(nc2ccccc12)C1CCCN(Cc2ncco2)C1)Oc1ccccc1
Nc1nc(N2CCNCC2)c2ccc(cc2n1)-c1ccco1
CN1CCN(CC1)c1nc(N)nc2cc(ccc12)-c1ccoc1
CN1CCN(CC1)c1nc(N)nc2cc(ccc12)-c1ccsc1
CN1CCN(CC1)c1nc(N)nc2cc(ccc12)-c1ccco1
Fc1ccc(OCCCN2CCN(CC2)c2ccccc2)cc1
C(COc1ccccc1)CN1CCN(CC1)c1ccccc1
Fc1ccc(CCCCN2CCN(CC2)c2ccccn2)cc1
Fc1ccc(SCCCN2CCN(CC2)c2ccccn2)cc1
Fc1ccc(OCCCN2CCN(CC2)c2ccccn2)cc1
OC1(C[C@@H]2CC[C@H](C1)N2CCCOc1ccc(F)cc1)c1ccc(Cl)cc1 |r,THB:9:8:2.1.7:5.4|
OC1(C[C@@H]2CC[C@H](C1)N2CCCCc1ccc(F)cc1)c1ccc(Cl)cc1 |r,THB:9:8:2.1.7:5.4|
Fc1ccc(SCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Fc1ccc(OCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Fc1ccc(CCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Clc1ccc(cc1)N1CCCN(CCCCc2nc3ccccc3s2)CC1
Clc1ccc(cc1)N1CCCN(CCCc2nc3ccccc3s2)CC1
Clc1ccc(cc1)N1CCCN(CCCCC(=O)c2nc3ccccc3s2)CC1
OC1(C[C@@H]2CC[C@H](C1)N2CCCCc1nc2ccccc2s1)c1ccc(Cl)cc1 |r,THB:9:8:2.1.7:5.4|
CN1CCN(CC1)[C@@H]1Cn2cccc2Sc2ccc(Cl)cc12
CN1CCN(CC1)C1=Cn2c(C)ccc2Sc2ccccc12 |t:8|
CN1CCN(CC1)C1=Cn2cccc2Sc2ccccc12 |t:8|
Fc1ccc(cc1)[Si]1(CCC(C1)N1CCN(CC1)c1ccccc1)c1ccc(F)cc1
COC(=O)c1ccccc1OCCCn1c(nc2ccccc12)C(=O)C1CCN(CCC2(CCN(C2)C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc2)CC1
COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2CCCOc2ccccc2C(O)=O)(C1)c1ccccc1
COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)C(=O)c2nc3ccccc3n2CCOc2ccco2)(C1)c1ccccc1
CCN(C)C1CCCc2ccncc12
CCOCCn1c(nc2ccccc12)N1CCN(CCc2ccccc2)CC1
CCSCCn1c(nc2ccccc12)N1CCN(C)CC1
CN1CCN(CC1)c1nc2ccccc2n1CCOCCO
CN1CCN(CC1)c1nc2ccccc2n1CCOc1ccccc1
CN1CCN(CC1)c1nc2ccccc2n1CCOCC#C
CCCCN1CCN(CC1)c1nc2ccccc2n1CCOCC
CCCCCCCn1c(nc2ccccc12)N1CCN(C)CC1
CCCOCCn1c(nc2ccccc12)N1CCN(C)CC1
COCCCn1c(nc2ccccc12)N1CCN(C)CC1
CCCCCN1CCN(CC1)c1nc2ccccc2n1CCOCC
CCCCCCN1CCN(CC1)c1nc2ccccc2n1CCOCC
CCSCCCn1c(nc2ccccc12)N1CCN(C)CC1
CCOCCn1c(nc2ccccc12)N1CCN(CC1)c1ccccc1
CCCCCN1CCCN(CC1)c1nc2ccccc2n1CCOCC
CCOCCn1c(nc2ccccc12)N1CCN(C)CC1
CCCn1c(nc2ccccc12)N1CCN(C)CC1
CN1CCN(CC1)c1nc2ccccc2n1CCc1ccccc1
CCNCCn1c(nc2ccccc12)N1CCN(C)CC1
CN1CCCN(CC1)c1nc2ccccc2n1CCOCC#C
CCCC(C)Cn1c(nc2ccccc12)N1CCN(C)CC1
CCCOCCn1c(nc2ccccc12)N1CCCN(C)CC1
CCCCOCCn1c(nc2ccccc12)N1CCCN(C)CC1
CCOCCn1c(nc2ccccc12)N1CCN(CC1)C=O
CCCCOCCn1c(nc2ccccc12)N1CCN(C)CC1
CN1CCN(CC1)c1nc2ccccc2n1Cc1ccccc1
CN1CCCN(CC1)c1nc2ccccc2n1CCOCC=C
CCCOCn1c(nc2ccccc12)N1CCN(C)CC1
CN1CCN(CC1)c1nc2ccccc2n1CCOCC=C
CCCC(C)n1c(nc2ccccc12)N1CCN(C)CC1
CCCCn1c(nc2ccccc12)N1CCN(C)CC1
CCOCCn1c(nc2ccccc12)N1CCN(CC1)C(c1ccccc1)c1ccccc1
CCOCCn1c(nc2ccccc12)N1CCCN(C)CC1
CN1CCN(CC1)c1nc2ccccc2n1C
CCOCCn1c(nc2ccccc12)N1CCN(Cc2ccccc2)CC1
CCOCCn1c(nc2ccccc12)N1CCCN(CC)CC1
CN1CCCN(CC1)c1nc2ccccc2n1CCOc1ccccc1
CCOCCn1c(nc2ccccc12)N1CCCN(Cc2ccccc2)CC1
CCOCCn1c(nc2ccccc12)N1CCNCC1
COCCn1c(nc2ccccc12)N1CCN(C)CC1
CCCCCn1c(nc2ccccc12)N1CCN(C)CC1
CCCN1CCN(CC1)c1nc2ccccc2n1CCOCC
CN1CCN(CC1)c1nc2ccccc2n1CCOCc1ccccc1
CCOCCn1c(nc2ccccc12)N1CCCNCC1
CCOCCn1c(nc2ccccc12)N1CCN(CC)CC1
CCCSCn1c(nc2ccccc12)N1CCN(C)CC1
CN1CCN(CC1)c1nc2ccccc2n1CCOC=C
CN1CCN(CC1)c1nc2ccccc2n1CCO
CCCCN1CCCN(CC1)c1nc2ccccc2n1CCOCC
CN1CCN(CC1)c1nc2ccccc2n1-c1ccccc1
CCCCCCCCCCn1c(nc2ccccc12)N1CCN(C)CC1
CCCCCCn1c(nc2ccccc12)N1CCN(C)CC1
CN1CCN(CC1)c1nc2ccccc2[nH]1
CC(C)CCn1c(nc2ccccc12)N1CCN(C)CC1
CCCN1CCCN(CC1)c1nc2ccccc2n1CCOCC
[#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Fc1ccc(cc1)N1CCN(CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1
CN(C)CC\C=C1\c2ccccc2COc2ccc(CCC(O)=O)cc12
CN(C)CC\C=C1\c2ccccc2COc2ccc(CCO)cc12
CN(C)CCC\C=C1\c2ccccc2COc2ccc(cc12)C(O)=O
CN(C)CC\C=C1/c2ccccc2COc2ccc(CCO)cc12
CN(C)CCC\C=C1\c2ccccc2COc2ccc(CC(O)=O)cc12
OC(=O)c1ccc2OCc3ccccc3\C(=C\CCN3CCCC3)c2c1
CN(C)CC\C=C1\c2ccccc2COc2cc(ccc12)C(O)=O
OC(=O)c1ccc2OCc3ccccc3\C(=C\CCN3CCSCC3)c2c1
CN(C)CC\C=C1\c2ccccc2COc2ccc(cc12)C(O)=O
CN(C)CC\C=C1\c2ccccc2COc2ccc(\C=C\C(O)=O)cc12
CN(C)CC\C=C1/c2ccccc2COc2ccc(CC(O)=O)cc12
CN(C)CC\C=C1\c2ccccc2COc2ccc(CC(O)=O)cc12
CN(C)CC\C=C1/c2ccccc2COc2ccc(C)cc12
CN(C)CCC\C=C1/c2ccccc2COc2ccc(cc12)C(O)=O
CN(C)CC\C=C1/c2ccccc2COc2ccc(cc12)C(O)=O
CN(C)CC\C=C1/c2ccccc2COc2ccc(CCC(O)=O)cc12
CCN(CC)CC\C=C1\c2ccccc2COc2ccc(cc12)C(O)=O
CN(C)C\C=C1/c2ccccc2COc2ccc(cc12)C(O)=O
CN(C)CCCN1C(SCC1=O)c1ccncc1
COc1ccc(cc1)C1SCC(=O)N1CCCN(C)C
CN(C)CCCN1C(SCC1=O)c1ccc(F)cc1
CN(C)CCCN1C(SCC1=O)c1cccc(c1)[N+]([O-])=O
COc1cccc(c1)C1SCC(=O)N1CCCN(C)C
CN(C)CCCN1C(SCC1=O)c1ccc(cc1)[N+]([O-])=O
CN(C)CCCN1C(SCC1=O)c1ccc(C)cc1
CN(C)CCCN1C(SCC1=O)c1cccc(C)c1
CN(C)CCCN1C(SCC1=O)c1cccc(F)c1
CN(C)CCCN1C(SCC1=O)c1cccc(Br)c1
CN(C)CCN1C(SCC1=O)c1ccccc1
CC(C)c1ccc(cc1)C1SCC(=O)N1CCCN(C)C
CN(C)CCCN1C(SCC1=O)c1ccc(Br)cc1
CN(C)CCCN1C(SCC1=O)c1ccccc1
CN(C)CCCN1C(SCC1=O)c1ccc(N)cc1
CN(C)CCCN1C(SCC1=O)c1cccc(Cl)c1
CN(C)CCCN1C(SCC1=O)c1ccc(Cl)cc1
Cn1c2ncn(CCCN3CCN(CC3)C(c3ccc(F)cc3)c3ccc(F)cc3)c2c(=O)n(C)c1=O
Cn1c2ncn(CCCN3CCC(CC3)C(c3ccccc3)c3ccccc3)c2c(=O)n(C)c1=O
CC(C)(C)c1ccc(cc1)C(=O)CCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1
O=C(NCCN1CCN(CC1)C1CCCc2ccccc12)c1ccccc1
Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)C1CCCc2ccccc12
Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)C1CCCc2ccccc12
COc1ccccc1N1CCN(C[C@H]2CN=C3N2C(SC)=Nc2ccccc32)CC1 |r,c:16,22|
COc1ccccc1N1CCN(CC2CN3C(=N2)c2ccccc2NC3=O)CC1 |c:17|
COc1ccccc1N1CCN(CC2CN=C3N2C(=O)Nc2ccccc32)CC1 |c:16|
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl
O=C(OCCc1ccc(cc1)C#N)N1CCN(CCCc2ccccc2)CC1
Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)OCCc1ccc(cc1)C#N)c1ccc(F)cc1
Fc1ccc(CCC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Fc1ccc(cc1)C(CCCN1CCC(CC1)NC(=O)OCCc1ccc(cc1)C#N)c1ccc(F)cc1
O=C1NCN(c2ccccc2)C11CCN(Cc2cccc(Oc3ccccc3)c2)CC1
CCOc1ccc(CCNC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Fc1ccc(cc1)C(CCCN1CCN(CC1)C(=O)CCCc1ccccc1)c1ccc(F)cc1
Fc1ccc(CCOC(=O)N2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
CN(C)CCc1c(C)[nH]c2cccc(NC(=O)c3ccc(F)cc3)c12
O=C(NC(C1CC1)C1CC1)OCCCc1cnc[nH]1
CC(NC(=O)OCCCc1cnc[nH]1)C1(C)CC1
CC(C)(C)CCCOCCCc1cnc[nH]1
CC(CC(C)(C)C)OCCCc1cnc[nH]1
CC(C)(C)CCOCCCN1CCCCC1
C[C@H](NC(=O)OCCCc1cnc[nH]1)C1CCCCC1 |r|
CC(C)C(C)NC(=O)OCCCc1cnc[nH]1
CC(NC(=O)OCCCc1cnc[nH]1)C(C)(C)C
CC(NC(=O)OCCCN1CCCCC1)C(C)(C)C
CC(C)(C)C(NC(=O)OCCCc1cnc[nH]1)C(C)(C)C
O=C(NC(C1CC1)c1ccccc1)OCCCc1cnc[nH]1
CC(NC(=O)OCCCc1cnc[nH]1)C1CC1
O=C(NC(C1CCCCC1)c1ccccc1)OCCCc1cnc[nH]1
C[C@@H](NC(=O)OCCCc1cnc[nH]1)C1CCCCC1 |r|
CC(C)(C)CCCCOCCCc1cnc[nH]1
C[C@@H]1C[C@@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
C[C@H]1C[C@@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
C[C@H]1C[C@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:24|
OCCN1CCN(CC1)C1Cn2cccc2Sc2ccc(F)cc12
CCN1CCN(CC1)C1Cn2cccc2Sc2ccc(F)cc12
CN1CCN(CC1)[C@H]1Cn2cccc2Sc2ccc(F)cc12 |r|
CN1CCN(CC1)[C@@H]1Cn2cccc2Sc2ccccc12 |r|
CO\N=C(/C)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
CC(N=O)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
CC(=O)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
CC(=O)c1ccc(OCc2ccc(CN3CCCC3)cc2)cc1
NC(=O)c1cnc2n1CCc1ccccc1C21CCNCC1
[#6]-n1ccc2c1-[#6]-[#6]-n1ccnc1\[#6]-2=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1
[#6]-n1ccc2c1-[#6](=O)-[#6]-n1ccnc1\[#6]-2=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1
OC(=O)[C@@H](CN1CCC(CC1)OC1c2ccccc2CCc2ccccc12)NC(=O)OCc1ccccc1
Cc1coc2ccc(cc12)N1C[C@@]2(CN3CCC2CC3)OC1=O |wD:12.23,TLB:11:12:16.15:18.19,THB:20:12:16.15:18.19,(.43,-18.09,;-1,-18.66,;-1.37,-20.16,;-2.9,-20.26,;-3.47,-18.83,;-4.92,-18.31,;-5.19,-16.79,;-4.01,-15.79,;-2.56,-16.32,;-2.3,-17.84,;-4.08,-14.25,;-5.37,-13.4,;-4.96,-11.92,;-5.24,-10.52,;-6.59,-9.91,;-8.06,-10.56,;-7.87,-11.94,;-6.33,-11.28,;-6.07,-9.38,;-6.52,-8.27,;-3.42,-11.84,;-2.88,-13.28,;-1.39,-13.69,)|
COc1ccc2ccccc2c1CCCCN1CCN(CC(C2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1 |w:21.22|
CC(C)N1CCC(CC1)C(CN1CCN(CCCc2c(F)cccc2-c2ccccc2)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(CCCc2ccccc2-c2cccc(F)c2)CC1)c1ccc(F)cc1 |w:9.10|
CC(C)N1CCC(CC1)C(CN1CCN(CCCc2ccccc2-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|
COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |c:30|
Fc1ccc(cc1)C(=O)N1CCN(C(=O)C1)c1ccc(OCCCN2CCCCC2)cc1
C[C@@H]1CCCN1CCCOc1ccc(cc1)N1CCN(CC1=O)C(=O)c1ccc(F)cc1
Fc1ccc(cc1)C(=O)N1CCN(C(=O)C1)c1ccc(OCCCN2CCCC2)cc1
CC1NC(N)=Nc2cccc(Cl)c12 |c:4|
CC1NC(N)=Nc2ccc(Cl)c(Cl)c12 |c:4|
C[C@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8|
C[C@@H]1NC(NCC(F)F)=Nc2ccc(Cl)c(Cl)c12 |c:8|
C[C@H]1CCCN1CCc1ccc2ccccc2c1
C[C@@H]1CCCN1CCc1ccc(OCc2ccccc2)cc1
COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
COc1ccccc1CNCCc1cc(OC)c(I)cc1OC
Cc1nc[nH]c1CSCCN=C(N)NCCCc1cnc[nH]1 |w:10.10|
NC(NC(=O)Cc1ccccc1)=NCCCc1cnc[nH]1 |w:12.13|
NC(NC(=O)CC(c1ccc(F)cc1)c1ccccn1)=NCCCc1cnc[nH]1 |w:20.22|
NC(NC(=O)CC(c1ccccc1)c1ccccn1)=NCCCc1cnc[nH]1 |w:19.21|
Cc1nc[nH]c1CSCC(=O)NC(N)=NCCCc1cnc[nH]1 |w:14.15|
NC(NC(=O)CC(c1ccccc1)c1ccccc1)=NCCCc1cnc[nH]1 |w:19.21|
NC(NC(=O)CC(c1nccs1)c1ccccc1)=NCCCc1cnc[nH]1 |w:18.20|
NC(NC(=O)CC(c1nccs1)c1ccc(F)c(F)c1)=NCCCc1cnc[nH]1 |w:20.22|
NC(NC(=O)C1CCCCC1)=NCCCc1cnc[nH]1 |w:11.12|
NC(NC(=O)CC(c1ccccc1)c1ccccc1)=NCCc1cnc[nH]1 |w:19.21|
CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |w:8.8|
NC(NC(=O)CCc1ccccc1)=NCCCc1cnc[nH]1 |w:13.14|
NC(NC(=O)CCC1CCCCC1)=NCCCc1cnc[nH]1 |w:13.14|
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6](=O)-[#6]-c1ccc(-[#8]-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6](=O)-c1ccc(-[#8]-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6]-c1ccc(-[#8]-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1
CN(CCCC12CCC(c3ccccc13)c1ccccc21)Cc1ccc(OCCCN2CCCCC2)cc1
CN(CCCN1c2ccccc2Sc2ccc(Cl)cc12)Cc1ccc(OCCCN2CCCCC2)cc1
CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12
CN(CC\C=C1/c2ccccc2Sc2ccc(Cl)cc12)Cc1ccc(OCCCN2CCCCC2)cc1
Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1 |c:13|
FC(F)(F)c1ccc2Sc3ccccc3N(CCCN3CCN(CCOC(=O)c4ccc(OCCCN5CCCCC5)cc4)CC3)c2c1
CCN(CC)CCCCCCn1c2ccccc2c(=O)c2ccccc12
COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
CC(c1c(CCN(C)C)sc2ccccc12)c1cc(C)ccn1
COc1cccc(n1)C(C)c1c(CCN(C)C)sc2ccccc12
CC(c1c(CCN(C)C)sc2ccccc12)c1cccc(F)n1
C[C@H](c1c(CCN(C)C)sc2ccccc12)c1ncccc1C |r|
COc1cccnc1[C@H](C)c1c(CCN(C)C)sc2ccccc12 |r|
C[C@H](c1c(CCN(C)C)sc2ccccc12)c1ncccc1F |r|
C[C@H](c1c(CCN(C)C)sc2ccccc12)c1ncccc1Cl |r|
C[C@H](c1c(CCN(C)C)sc2ccccc12)c1ccc(F)cn1 |r|
CC(c1c(CCN(C)C)sc2ccccc12)c1ccc(C)nc1
COc1ccc(cn1)C(C)c1c(CCN(C)C)sc2ccccc12
C[C@@H](c1c(CCN(C)C)sc2ccccc12)c1cccnc1C |r|
COc1ncccc1[C@@H](C)c1c(CCN(C)C)sc2ccccc12 |r|
C[C@@H](c1c(CCN(C)C)sc2ccccc12)c1cccnc1F |r|
C[C@@H](c1c(CCN(C)C)sc2ccccc12)c1cccnc1Cl |r|
C[C@@H](c1c(CCN(C)C)sc2ccccc12)c1ccccn1 |r|
CNCCc1sc2ccccc2c1[C@@H](C)c1ccccn1 |r|
C[C@H](c1c(CCN2CCCC2)sc2ccccc12)c1ccccn1 |r|
C[C@H](c1c(CCN2CCC2)sc2ccccc12)c1ccccn1 |r|
CC(c1c(CCN(C)C)sc2ccccc12)c1cccnc1
C[C@@H](c1c(CCN(C)C)sc2ccccc12)c1cccnc1 |r|
C[C@H](c1c(CCN(C)C)sc2ccccc12)c1cccnc1 |r|
CC(c1c(CCN(C)C)sc2ccccc12)c1ccncc1
CC(c1nccs1)c1c(CCN(C)C)sc2ccccc12
C[C@@H](c1cscn1)c1c(CCN(C)C)sc2ccccc12 |r|
C[C@@H](c1cncs1)c1c(CCN(C)C)sc2ccccc12 |r|
CC(c1c(CCN(C)C)sc2ccccc12)n1ccnc1
C[C@H](c1c(CCN(C)C)sc2ccccc12)n1cccn1 |r|
CN[C@@H]1CCN(C1)c1nc(N)nc2c3cc(Cl)ccc3oc12 |r|
FC(F)(F)c1ccc(cc1)N1CCC(Cc2cnc[nH]2)CC1
COc1ccc(cc1)N1CCC(Cc2cnc[nH]2)CC1
O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(F)cc1
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O |r|
O=C(NC1CCCC1)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
CN(C)C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
C[C@@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 |r|
C[C@H]1CCCN1C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 |r|
CCNC(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCC[C@H]3C)CCc2c1 |r|
C[C@@H]1CCCN1CCN1CCc2cc(ccc2C1=O)-c1ccc(cc1)C(=O)N1CCCC1 |r|
Clc1ccc(cc1)N1CCN(CCCCC(=O)c2nc3ccccc3s2)CC1
O=C(CCCCN1CCC(CC1)c1ccccc1)c1nc2ccccc2s1
COCn1ncc(cc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r|
C[C@H](COc1ccc(cc1)-c1cn[nH]c(=O)c1)CN1CCC[C@H]1C |r|
CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |r|
COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |r|
CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccncc2c1=O |r|
CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O |r|
CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O |r|
COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O |r|
CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O |r|
CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O |r|
COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O |r|
CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O |r|
CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O |r|
COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O |r|
CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2nccnc2c1=O |r|
Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccncc23)cc1 |r|
CS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(OC2CCN(CC2)C2CCC2)cc1
CC1(C)CCCN(CCCOc2ccc(cc2)C2CCN(CC2)C(=O)c2ccc(CCC(O)=O)c3ccccc23)C1
Cc1cc(F)ccc1OC1CCN(CC2CCN(CC2)[C@@](C)(Cc2ccc(F)cc2)C(O)=O)CC1 |r|
Cc1cc(OC2CCN(CC3CCN(CC3)[C@@](C)(Cc3ccc(F)cc3)C(O)=O)CC2)ccc1Cl |r|
Cc1cc(Cl)ccc1OC1CCN(CC2CCN(CC2)[C@@](C)(Cc2ccc(F)cc2)C(O)=O)CC1 |r|
Cc1c(Cl)c(Cl)ccc1OC1CCN(CC2CCN(CC2)[C@@](C)(Cc2ccc(F)cc2)C(O)=O)CC1 |r|
Cc1c(Cl)c(Cl)ccc1OC1CCN(CC2CCN(CC2)[C@@](C)(Cc2ccccc2)C(O)=O)CC1 |r|
Cc1c(Cl)c(Cl)ccc1OC1CCN(CC2CCN(CC2)[C@@H](Cc2ccccc2)C(O)=O)CC1 |r|
C[C@@](Cc1ccc(F)cc1)(N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1)C(O)=O |r|
C[C@@](Cc1ccccc1)(N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1)C(O)=O |r|
Cc1c(Cl)c(ccc1OC1CCN(CC2CCN(CC2)[C@@H](Cc2ccc(F)cc2)C(O)=O)CC1)C#N |r|
Cc1c(Cl)c(Cl)ccc1OC1CCN(CC2CCN(CC2)[C@@H](Cc2ccc(F)cc2)C(O)=O)CC1 |r|
Cc1c(Cl)ccc(OC2CCN(CC3CCN(CC3)[C@@H](Cc3ccc(F)cc3)C(O)=O)CC2)c1Cl |r|
Cc1cc(OC2CCN(CC3CCN(CC3)[C@@H](Cc3ccc(F)cc3)C(O)=O)CC2)ccc1Cl |r|
Cc1cc(F)ccc1OC1CCN(CC2CCN(CC2)[C@@H](Cc2ccc(F)cc2)C(O)=O)CC1 |r|
Cc1cc(Cl)ccc1OC1CCN(CC2CCN(CC2)[C@@H](Cc2ccc(F)cc2)C(O)=O)CC1 |r|
OC(=O)[C@H](Cc1ccc(F)cc1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)cc2Cl)CC1 |r|
OC(=O)[C@H](Cc1ccc(F)cc1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)cc2)CC1 |r|
OC(=O)[C@H](Cc1cccc(c1)C(F)(F)F)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1 |r|
COc1ccc(C[C@H](N2CCC(CN3CCC(CC3)Oc3ccc(Cl)c(Cl)c3)CC2)C(O)=O)cc1 |r|
COc1ccccc1C[C@H](N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1)C(O)=O |r|
Cc1ccc(C[C@H](N2CCC(CN3CCC(CC3)Oc3ccc(Cl)c(Cl)c3)CC2)C(O)=O)cc1 |r|
Cc1cccc(C[C@H](N2CCC(CN3CCC(CC3)Oc3ccc(Cl)c(Cl)c3)CC2)C(O)=O)c1 |r|
Cc1ccccc1C[C@H](N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1)C(O)=O |r|
OC(=O)[C@H](Cc1ccc(cc1)C#N)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1 |r|
OC(=O)[C@H](Cc1cccc(c1)C#N)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1 |r|
OC(=O)[C@H](Cc1ccccc1C#N)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1 |r|
OC(=O)[C@H](Cc1ccc(F)cc1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1 |r|
OC(=O)[C@H](Cc1cccc(F)c1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1 |r|
OC(=O)[C@H](Cc1ccccc1F)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1 |r|
OC(=O)[C@H](Cc1ccc(Cl)cc1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1 |r|
OC(=O)[C@H](Cc1ccccc1Cl)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1 |r|
OC(=O)[C@@H](Cc1ccccc1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1 |r|
OC(=O)[C@H](Cc1ccccc1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1 |r|
OC(=O)c1cccnc1N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1
OC(=O)c1ccc(CN2CCC(CN3CCC(CC3)Oc3ccc(Cl)c(Cl)c3)CC2)cc1
OC(=O)c1cccc(CN2CCC(CN3CCC(CC3)Oc3ccc(Cl)c(Cl)c3)CC2)c1
OC(=O)c1ccccc1CN1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1
OC(=O)COc1ccc(cc1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1
OC(=O)COc1cccc(c1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1
OC(=O)COc1ccccc1N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1
OC(=O)Cc1ccc(cc1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1
OC(=O)Cc1cccc(c1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1
OC(=O)Cc1ccccc1N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1
OC(=O)c1ccc(cc1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1
OC(=O)c1cccc(c1)N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1
OC(=O)c1ccccc1N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1
OC(=O)[C@H](N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r|
OC(=O)[C@@H](N1CCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r|
OC(=O)C(N1CCO[C@H](CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)C1)c1ccccc1 |r|
OC(=O)C(N1CCO[C@@H](CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)C1)c1ccccc1 |r|
OC(=O)C(N1CCCC(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)C1)c1ccccc1
OC(=O)C(N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1)c1ccccc1
Cc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
OC(CCN1CCCC1)(C1CCCCC1)c1ccccc1
CN(C)CCOC(c1ccccc1)c1ccccc1C
CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3
CCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1
CN1[C@@H](C[C@H](O)c2ccccc2)CCC[C@H]1CC(=O)c1ccccc1
CN(C(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1
Cc1c(Cl)ccc(OC2CCN(CC2)C2CCN(CC2)S(=O)(=O)NC(=O)c2ccccc2)c1Cl
Clc1ccc(OC2CCN(CC2)C2CCN(CC2)S(=O)(=O)NC(=O)c2ccccc2)cc1Cl
CN(C)c1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(C)c1Cl
Clc1ccc(OC2CCN(CC2)C2CCN(CC2)C(=O)NS(=O)(=O)Cc2ccccc2)cc1Cl
Cc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(F)c(F)c1
Cc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)cc1
Cc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)cc1C
Cc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(C)c1Cl
Cc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)cc1Cl
FC(F)(F)c1cccc(c1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Clc1ccc(OC2CCN(CC2)C2CCN(CC2)C(=O)NS(=O)(=O)c2cccc(c2)C#N)cc1Cl
Clc1cccc(c1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Cc1cccc(c1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
CN(C)c1ccccc1S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
COc1ccccc1S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Clc1ccc(OC2CCN(CC2)C2CCN(CC2)C(=O)NS(=O)(=O)c2ccccc2Cl)cc1Cl
Cc1ccccc1S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
CN(C)c1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
COc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Clc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Fc1ccc(cc1)S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Clc1ccc(OC2CCN(CC2)C2CCN(CC2)C(=O)NS(=O)(=O)c2ccccc2)cc1Cl
CS(=O)(=O)c1cccc(c1)C(=O)N1CC[C@H]([C@@H](C1)C(O)=O)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
Cc1ccc(cc1)C(=O)N1CCC(CC1)N1CC[C@H](C[C@H]1C(O)=O)Oc1ccc(Cl)c(C)c1Cl |r|
Cc1ccc(cc1)C(=O)N1CCC(CC1)N1CC[C@@H](C[C@@H]1C(O)=O)Oc1ccc(Cl)c(C)c1Cl |r|
OC(=O)CCCCn1nnc(n1)-c1ccc(cc1)C(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
OC(=O)CCNc1ccccc1C(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
OC(=O)CCCS(=O)(=O)c1cccc(c1)C(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Clc1ccc(OC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc(cc2)-c2nnn[nH]2)cc1Cl
Clc1ccc(OC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc(cc2)-c2nc(=O)o[nH]2)cc1Cl
OC(=O)c1cccc(c1)C(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
OC(=O)c1ccccc1C(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
OC(=O)COc1cccc(c1)C(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Cc1c(Cl)ccc(OC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc(c2)S(C)(=O)=O)c1Cl
Clc1ccc(OC2CCN(CC2)C2CCN(CC2)C(=O)c2c[nH]c(=O)c3ccccc23)cc1Cl
CS(=O)(=O)c1cccc(c1)C(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
OC(=O)Cc1ccc2OCc3ccccc3\C(=C/CN3CCCC(Cc4ccccc4)C3)c2c1
[#6]-c1ccc(nn1)-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]\[#6](=O)-[#7]-[#6@@H]-1-[#6]-[#6]-[#7](-[#6]-c2ccc3cc(F)ccc3c2)-[#6]-1 |r|
COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)cnc12
COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)ccc12
OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3c(c2)sn(C2CCCC2)c3=O)c1
OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1
C(Oc1cc(COc2ccccc2)on1)[C@@H]1CCCN1 |r|
Cc1ccc(c(c1)C)Sc2ccccc2N3CCNCC3
OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccc1 |TLB:3:2:12:11.7,4:5:12:11.7,10:11:12:2.5,8:7:12:2.5,THB:13:12:11.7:2.5|
COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1 |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16|
COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1 |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17|
COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:11:22:13.14:20,16:18:13.14:20,THB:12:13:22.18:20,21:22:12.15:10,13:12:22.18:10,15:14:22.18:20,19:18:12.15:10,14:15:22.18:10,9:10:12.15:22.18|
COc1ccccc1N1CCN(Cc2cc(CN3CCN(CC3)c3ccc(Cl)cc3)c3cccccc23)CC1
COc1ccccc1N1CCN(Cc2cc(CN3CCN(CC3)c3ccccc3OC)c3cccccc23)CC1
COc1ccccc1N1CCN(Cc2cc(CN3CCN(C)CC3)c3cccccc23)CC1
COc1ccccc1N1CCN(Cc2cc(CN3CCOCC3)c3cccccc23)CC1
COc1ccccc1N1CCN(Cc2cc(CN3CCCCC3)c3cccccc23)CC1
COc1ccccc1N1CCN(Cc2cc(CN(C)C)c3cccccc23)CC1
COc1ccccc1N1CCN(Cc2cc(CO)c3cccccc23)CC1
Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2cn[nH]c2C(F)(F)F)CC1 |r|
O[C@H](CNC(=O)c1cn[nH]c1C(F)(F)F)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3c(F)cccc23)CC1 |r|
O[C@H](CNC(=O)c1c[nH]c(=O)c2c(F)cccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
CC1(O)CN(C1)S(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
O[C@H](CNC(=O)c1c[nH]c(=O)c2cc(ccc12)S(=O)(=O)N1CCC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
CN(C)S(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
O[C@H](CNC(=O)c1c[nH]c(=O)c2cc(ccc12)S(=O)(=O)NC1CC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
CNS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)c4ccc(cc34)S(C)(=O)=O)CC2)c1Cl |r|
NS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
OCCNS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
O[C@H](CNC(=O)c1c[nH]c(=O)c2ccc(F)cc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3cc(F)ccc23)CC1 |r|
O[C@H](CNC(=O)c1c[nH]c(=O)c2cc(F)ccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3ccc(cc23)S(C)(=O)=O)CC1 |r|
Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3cc(ccc23)S(C)(=O)=O)CC1 |r|
Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)c4cc(ccc34)S(C)(=O)=O)CC2)c1Cl |r|
CS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
CS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(C#N)c(Cl)c1 |r|
O[C@H](CNC(=O)c1c[nH]c(=O)c2ccccc12)CN1CCC(CC1)Oc1ccc(C#N)c(Cl)c1 |r|
O[C@H](CNC(=O)c1c[nH]c(=O)c2ccccc12)CN1CCC(CC1)Oc1ccc(cc1)C#N |r|
NC(=O)c1c(Cl)c(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3ccccc23)CC1 |r|
Cn1cc(C(=O)NC[C@@H](O)CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)c(cc1=O)C(F)(F)F |r|
Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3c[nH]c(=O)cc3C(F)(F)F)CC2)c1Cl |r|
Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1 |r|
O[C@H](CNC(=O)c1c[nH]c(=O)cc1C(F)(F)F)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
O[C@H](CNC(=O)c1cn[nH]c1C1CC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CNC(=O)c3cn[nH]c3C(F)(F)F)CC2)c1Cl |r|
O[C@H](CNC(=O)c1c[nH]c(=O)c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
COc1cc(ccc1N)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
O[C@H](CNS(=O)(=O)c1cccc(c1)C#N)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
CS(=O)(=O)c1ccc(s1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
CS(=O)(=O)c1ccccc1C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
O[C@@H](CNC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)COc1ccc2ncsc2c1 |r|
O[C@@H](CNC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)COc1cccc(c1)C#N |r|
O[C@@H](CNC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)COc1ccc(cc1)C#N |r|
CS(=O)(=O)c1ccccc1C(=O)NCC(O)CNC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
OC(COc1ccccc1NC(=O)C1CCC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
O[C@@H](CCN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1)COc1cccc(c1)C#N |r|
O[C@H](CNC(=O)c1n[nH]c(=O)c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
O[C@H](CNC(=O)c1n[nH]c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
CN(C[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1)C(=O)c1c[nH]c(=O)c2ccccc12 |r|
O[C@H](CNC(=O)n1c2ccccc2[nH]c1=O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
O[C@H](CNC(=O)c1c[nH]c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
O[C@H](COc1cccc(c1)C#N)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
O[C@H](CNC(=O)c1cc(=O)[nH]c2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
O[C@H](CNC(=O)c1cnnc2ccccc12)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
Clc1ccc(OC2CCN(CCCOc3cccc(c3)C#N)CC2)cc1Cl
O[C@H](CNC(=O)c1cn2cc(F)ccc2n1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
O[C@H](CNC(=O)c1cccc(c1)C#N)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1 |r|
COc1cccc(SC[C@@H](O)CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)c1 |r|
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](N)CC(C)C)cc1
O=C(C1CC1)c1ccc(OCCCN2CCN(CC2)[C@@H]2CC(=O)N2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](N)Cc2ccncc2)cc1
N[C@H](Cc1cc2ccccc2s1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
CC(C)N[C@H](C)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
N[C@H](Cc1cccc2ccccc12)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@H](N)CO)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)cc1
N[C@H](CC#N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1
CC(C)(C)C[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
C[C@H](CN)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
CC[C@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
C[C@@H](CN)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
CCC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@H](Cc2ccncc2)NC(=O)OC(C)(C)C)cc1
N[C@H](Cc1ccc(O)cc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
O=C(C1CC1)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H]2CCN2)cc1
C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](C)NC(=O)OC(C)(C)C)cc1
CN[C@H](Cc1ccccc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)cc1
CNCC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1
N[C@H](CC1CCCCC1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
NCCC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
O=C(C1CC1)c1ccc(OCCCN2CCN(CC2)C(=O)[C@H]2CCN2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](C)N)cc1
N[C@H](Cc1nccs1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@H](N)C(C)C)cc1
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](N)C(C)C)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@H](N)Cc2ccncc2)cc1
CC(C)(C)[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
CC(C)(C)OC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
N[C@H](Cc1ccc(F)cc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
N[C@H](Cc1ccsc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
CN[C@H](C(C)C)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
O=C(C1CC1)c1ccc(OCCCN2CCN(CC2)C(=O)[C@H]2CCCN2)cc1
N[C@H](CCc1ccccc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](Cc2ccncc2)NC(=O)OC(C)(C)C)cc1
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
N[C@H](C1Cc2ccccc2C1)C(O)=O |r|
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@H](N)CC(C)C)cc1
CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
N[C@@H](C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1)c1ccccc1
O=C(C[C@H]1CCCN1)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
C[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
N[C@H](Cc1c[nH]cn1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
C[C@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
N[C@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
O=C(C1CC1)c1ccc(OCCCN2CCN(CC2)[C@H]2CC(=O)N2)cc1
CN(C)CC1(C)CC2N(O1)c1ccccc1Cc1ccccc21
CCN(CC)CC1CC2N(O1)c1ccccc1Cc1ccccc21
O=C1N(CC2CC3N(O2)c2ccccc2Cc2ccccc32)C(=O)c2ccccc12
CN(C)CCCCC1CC2N(O1)c1ccccc1Cc1ccccc21
C(C1CC2N(O1)c1ccccc1Cc1ccccc21)N1CCN(CC1)c1ccccc1
NCC1CC2N(O1)c1ccccc1Cc1ccccc21
CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Oc1ccccc21
C(C1CC2N(O1)c1ccccc1Cc1ccccc21)N1Cc2ccccc2C1
CC(C)N(CC1CC2N(O1)c1ccccc1Cc1ccccc21)C(C)C
C(C1CC2N(O1)c1ccccc1Cc1ccccc21)N1CCNCC1
CN(C)CCCC1CC2N(O1)c1ccccc1Cc1ccccc21
CNCC1CC2N(O1)c1ccccc1Cc1ccccc21
CN(CC1CC2N(O1)c1ccccc1Cc1ccccc21)C(=O)C(F)(F)F
CN(C)C(=O)C1CC2N(O1)c1ccccc1Cc1ccccc21
C(C1CC2N(O1)c1ccccc1Cc1ccccc21)N1CCCC1
C(C1CC2N(O1)c1ccccc1Cc1ccccc21)N1CCOCC1
Clc1cccc(c1)N1CCN(CC2CC3N(O2)c2ccccc2Cc2ccccc32)CC1
CN(C)CCC1CC2N(O1)c1ccccc1Cc1ccccc21
CN(C)CC1CC2N(O1)c1c(Cl)cccc1Cc1ccccc21
CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccc(F)cc21
CN(C)CC1CC2N(O1)c1ccccc1Cc1cc(C)ccc21
CN(C)CC1CC2N(O1)c1cc(ccc1Cc1ccccc21)-c1ccccc1
CN(C)CC1CC2N(O1)c1cccc(C)c1Cc1ccccc21
CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccccc21
CN(C)CC1CC2N(O1)c1cc(C)ccc1Cc1ccccc21
CN(C)CC1CC2N(O1)c1ccccc1Cc1cccc(F)c21
CN(C)CC1CC2N(O1)c1ccccc1Cc1c(Cl)cccc21
COc1ccc2Cc3ccccc3N3OC(CN(C)C)CC3c2c1
CN(C)CC1CC2N(O1)c1ccccc1Cc1cccc(C)c21
CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21
CN(C)CC1CC2N(O1)c1cccc(F)c1Cc1ccccc21
CN(C)CC1CC2N(O1)c1ccccc1Cc1cccc(c21)C(F)(F)F
CN(C)CC1CC2N(O1)c1ccccc1Cc1ccc(cc21)C(F)(F)F
CN(C)CC1CC2N(O1)c1ccccc1Cc1ccc(F)cc21
CN(C)CC1CC2N(O1)c1ccccc1Cc1c(F)cccc21
CN(C)CC1CC2N(O1)c1ccc(F)cc1Cc1ccccc21
CN(C)CC1CC2N(O1)c1ccccc1Cc1c2cccc1C(F)(F)F
O=C(N1CCCC1)c1ccc(cc1)-c1ccc(OCCCN2CCCC2)cc1
C[C@H]1CC[C@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCOCC1
NC1=NCC2N1c1ccccc1Cc1ccccc21 |t:1|
CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1
CCc1nc2cc3CCN(CCCSc4nnc(-c5ccc(F)c(F)c5)n4C)CCc3cc2o1
Cc1nc2cc3CCN(CCCSc4nnc(-c5ccc(F)c(F)c5)n4C)CCc3cc2o1
CCc1nc2cc3CCN(CCCSc4nnc(-c5ocnc5C)n4C)CCc3cc2s1
CCc1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2s1
Cc1nc2cc3CCN(CCCSc4nnc(-c5ocnc5C)n4C)CCc3cc2s1
Cc1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2s1
CC(CCSc1nnc(-c2cccc3nc(C)ccc23)n1C)N1CCc2cc3CN(C)C(=O)c3cc2CC1 |w:1.0|
CC(C)N1Cc2cc3CCN(CCCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2C1=O
CN1Cc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2C1=O
Cc1cc(-c2ccc3CCN(CCCSc4nnc(-c5cccc6cnc(C)cc56)n4C)CCc3c2)n(C)n1
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4NC(=O)COc4cc3CC2)n1C
CC(=O)N1CCOc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc12
CN1C(=O)COc2cc3CCN(CCCSc4nnc(-c5ocnc5C)n4C)CCc3cc12
CN1C(=O)COc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc12
Cc1noc2cc3CCN(CCCSc4nnc(-c5ccc(cc5)C(F)(F)F)n4C)CCc3cc12
CCc1noc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc12
Cc1noc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc12
Cc1cc(-c2nc3cc4CCN(CCCSc5nnc(-c6cccc7nc(C)ccc67)n5C)CCc4cc3o2)n(C)n1
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(oc4cc3CC2)C(F)(F)C(F)(F)F)n1C
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(oc4cc3CC2)N2CCCCC2)n1C
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(CC5CC5)oc4cc3CC2)n1C
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(oc4cc3CC2)C(C)(F)F)n1C
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(CC(F)(F)F)oc4cc3CC2)n1C
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(oc4cc3CC2)C(F)(F)F)n1C
CCc1nc2cc3CCN(CCCSc4nnc(-c5cccnc5)n4C)CCc3cc2o1
Cc1nc2cc3CCN(CCCSc4nnc(C5CCOCC5)n4C)CCc3cc2o1
Cc1nc2cc3CCN(CCCSc4nnc(-c5cccnc5)n4C)CCc3cc2o1
Cc1ncoc1-c1nnc(SCCCN2CCc3cc4nc(oc4cc3CC2)C2CC2)n1C
CC(C)c1nc2cc3CCN(CCCSc4nnc(-c5ocnc5C)n4C)CCc3cc2o1
CCCc1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2o1
CCc1nc2cc3CCN(CCCSc4nnc(-c5ocnc5C)n4C)CCc3cc2o1
Cc1nc2cc3CCN(CCCSc4nnc(-c5ocnc5C)n4C)CCc3cc2o1
CCc1nc2cc3CCN(CCc3c(Br)c2o1)C(C)CCSc1nnc(-c2cccc3nc(C)ccc23)n1C |w:17.20|
CC(CCSc1nnc(-c2cccc3nc(C)ccc23)n1C)N1CCc2cc3nc(oc3c(C)c2CC1)C(F)(F)F |w:1.0|
Cc1ccc2c(cccc2n1)-c1nnc(SCCN2CCc3cc4nc(oc4c(C)c3CC2)C(F)(F)F)n1C
CCc1nc2cc3CCN(CCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(C)c2o1
CCc1nc2cc3CCN(CCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(Br)c2o1
Cc1nc2cc3CCN(CCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(Br)c2o1
Cc1nc2cc3CCN(CCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2o1
Cc1nc2cc3CCN(CCCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(C)c2o1
CCc1nc2cc3CCN(CCCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(Br)c2o1
Cc1nc2cc3CCN(CCCCSc4nnc(-c5ocnc5C)n4C)CCc3cc2o1
CCc1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(C)c2o1
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(oc4c(Br)c3CC2)C(C)(C)C)n1C
Cc1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(Br)c2o1
CC(CCSc1nnc(-c2cccc3nc(C)ccc23)n1C)N1CCc2cc3nc(C)oc3c(Br)c2CC1 |w:1.0|
CC(CCSc1nnc(-c2cccc3nc(C)ccc23)n1C)N1CCc2cc3nc(C)oc3c(C)c2CC1 |w:1.0|
Cc1ccc2c(cccc2n1)-c1nnc(SCCN2CCc3cc4nc(oc4c(Br)c3CC2)C(F)(F)F)n1C
Cc1ccc2c(cccc2n1)-c1nnc(SCCCCN2CCc3cc4nc(oc4c(C)c3CC2)C(F)(F)F)n1C
Cc1ccc2c(cccc2n1)-c1nnc(SCCCCN2CCc3cc4nc(oc4c(Br)c3CC2)C(F)(F)F)n1C
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(oc4c(C)c3CC2)C(C)(C)C)n1C
CCc1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(Br)c2o1
CC(C)N1Cc2cc3CCN(CCc3cc2C1=O)C(C)CCSc1nnc(-c2cccc3nc(C)ccc23)n1C |w:18.21|
CC(C)N1Cc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2C1=O
O=C(N[C@H]1CC[C@H](CCN2CCc3cc(ccc3C2)C#N)CC1)c1ccnc2ccccc12 |r,wU:3.2,wD:6.6,(-5.17,2.38,;-5.16,.84,;-3.83,.08,;-2.49,.85,;-2.5,2.39,;-1.16,3.16,;.18,2.39,;1.51,3.16,;2.84,2.39,;4.18,3.16,;4.17,4.69,;5.51,5.46,;6.84,4.68,;8.18,5.44,;9.51,4.67,;9.5,3.12,;8.16,2.36,;6.83,3.14,;5.51,2.38,;10.85,5.43,;12.18,6.19,;.17,.85,;-1.15,.08,;-6.49,.07,;-7.83,.83,;-9.16,.06,;-9.16,-1.48,;-7.83,-2.25,;-7.83,-3.79,;-6.49,-4.56,;-5.15,-3.79,;-5.16,-2.25,;-6.49,-1.48,)|
Cc1ncoc1-c1nnc(SCCCN2CCc3cc4nc(oc4cc3CC2)C(F)(F)C(F)(F)F)n1C
Cc1ncoc1-c1nnc(SCCCN2CCc3cc4nc(CC5CC5)oc4cc3CC2)n1C
Cc1ncoc1-c1nnc(SCCCN2CCc3cc4nc(oc4cc3CC2)C(C)(F)F)n1C
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(oc4cc3CC2)C(C)(C)C)n1C
CC(C)c1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2o1
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4ncoc4cc3CC2)n1C
Cc1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2o1
Cc1ncoc1-c1nnc(SCCCN2CCc3cc4NC(=O)COc4cc3CC2)n1C
Cc1cc(-c2nc3cc4CCN(CCCSc5nnc(-c6ocnc6C)n5C)CCc4cc3o2)n(C)n1
CN(C)c1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2o1
COCc1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2o1
CCc1nc2cc3CCN(CCCSc4nnc(-c5ccc(cc5)C(F)(F)F)n4C)CCc3cc2o1
Cc1nc2cc3CCN(CCCSc4nnc(-c5ccc(cc5)C(F)(F)F)n4C)CCc3cc2o1
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CCc3cc4nc(oc4cc3CC2)C2CC2)n1C
CCc1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2o1
CC(CCSc1nnc(-c2cccc3nc(C)ccc23)n1C)N1CCc2cc3nc(oc3c(Br)c2CC1)C(F)(F)F |w:1.0|
CCc1nc2cc3CCN(CCc3c(C)c2o1)C(C)CCSc1nnc(-c2cccc3nc(C)ccc23)n1C |w:17.20|
Cc1nc2cc3CCN(CCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(C)c2o1
CCc1nc2cc3CCN(CCCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(C)c2o1
Cc1nc2cc3CCN(CCCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(Br)c2o1
Cc1nc2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3c(C)c2o1
CCc1nn(C)c2cc3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc12
CN1Cc2cc3CCN(CCCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCc3cc2C1=O
Cc1ncoc1-c1nnc(SCCCN2CCc3cc4ncoc4cc3CC2)n1C
CN1CCN(CC1)C2=Nc3ccc(cc3Oc4c2cccc4)Cl
CN1CCN(CC1)c1nc(NCc2ccoc2)c2cc(Cl)ccc2n1
CN1CCN(CC1)c1nc(NCc2cccs2)c2cc(Cl)ccc2n1
CC(C)C(=O)NC(N)=NCCCc1cnc[nH]1 |w:8.8|
NC(NC(=O)c1cc2ccccc2[nH]1)=NCCCc1cnc[nH]1 |w:14.16|
CCCC(=O)NC(N)=NCCCc1cnc[nH]1 |w:8.8|
CCC(=O)NC(N)=NCCCc1cnc[nH]1 |w:7.7|
CC(=O)NC(N)=NCCCc1cnc[nH]1 |w:6.6|
C(CN1CCCCC1)C#Cc1cccc(CN2CCOCC2)c1
N#CNC(NCCSc1ccccc1)=NCCCCc1cnc[nH]1 |w:14.15|
Cc1nc[nH]c1CCN
C[C@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |r,w:8.8|
C[C@@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |r,w:8.8|
C[C@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)C1CCCCC1 |r,w:8.8|
C[C@@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)C1CCCCC1 |r,w:8.8|
C[C@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)c1ccccc1 |r,w:8.8|
C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)c1ccccc1 |r,w:8.8|
C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1 |r,w:8.8|
C[C@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1 |r,w:8.8|
OC(=O)CCN1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:12|
CC(C)(CN1CCCN(CC1)C1=Cc2ccccc2Cn2ccnc12)C(O)=O |t:12|
CC1CN(CC(C)N1CCC(O)=O)C1=Cc2ccccc2Cn2ccnc12 |t:14|
OC(=O)C1CC(C1)N1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:15,(5.93,-34.54,;4.41,-34.32,;3.85,-32.88,;3.45,-35.52,;3.63,-37.05,;2.1,-37.22,;1.92,-35.69,;1.14,-38.42,;1.7,-39.85,;.75,-41.05,;-.77,-40.83,;-1.34,-39.4,;-.38,-38.2,;-1.72,-42.04,;-3.23,-41.71,;-4.44,-42.68,;-5.78,-41.92,;-7.1,-42.69,;-7.1,-44.23,;-5.77,-45,;-4.44,-44.22,;-3.22,-45.18,;-1.71,-44.83,;-.58,-45.89,;.78,-45.14,;.49,-43.62,;-1.05,-43.43,)|
OC(=O)C1CCC(CC1)N1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:17,(4.66,4.39,;3.14,4.62,;2.58,6.05,;2.18,3.42,;2.74,1.98,;1.78,.79,;.25,1.02,;-.31,2.45,;.66,3.65,;-.71,-.18,;-.15,-1.61,;-1.1,-2.81,;-2.62,-2.58,;-3.19,-1.16,;-2.23,.05,;-3.57,-3.79,;-5.08,-3.46,;-6.29,-4.44,;-7.62,-3.67,;-8.95,-4.44,;-8.95,-5.98,;-7.62,-6.75,;-6.29,-5.98,;-5.07,-6.94,;-3.56,-6.59,;-2.42,-7.65,;-1.07,-6.89,;-1.36,-5.38,;-2.9,-5.18,)|
Cc1nc2C(=Cc3ccccc3Cn2c1C)N1CCN(CC(C)(C)C(O)=O)CC1 |c:4|
CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2cc(Cl)nc12)C(O)=O |t:11|
CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2c(Cl)cnc12)C(O)=O |t:11|
COc1cnc2C(=Cc3ccccc3Cn12)N1CCN(CC(C)(C)C(O)=O)CC1 |c:6|
C1CN(CCN1)C1=Cc2ccccc2Cn2ccnc12 |t:7|
CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12)C(O)=O |t:11|
OC(=O)C(=C)CN1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12 |t:13|
Cc1cn2Cc3ccccc3C=C(N3CCN(CC(C)(C)C(O)=O)CC3)c2n1 |t:12|
CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2cc(F)nc12)C(O)=O |t:11|
COc1ccc(CN(CCN[C@H]2CCN(C2)C(=O)c2cc3ccccc3[nH]2)c2ccccn2)cc1 |r|
Fc1ccc(Cn2c(NC3CCN(CCN4CCN(CC4)C(=O)c4cc5ccccc5[nH]4)CC3)nc3ccccc23)cc1
COc1ccc(CN(CCN(C)CC(C)Nc2ccc3[nH]c(cc3c2)C(=O)N2CCN(C)CC2)c2ccccn2)cc1
COc1ccc(CN(CCN(C)CCN2CCN(CC2)C(=O)c2cc3cc(Cl)ccc3[nH]2)c2ccccn2)cc1
COc1ccc(CN(CCN(C)CCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)c2ccccn2)cc1
COc1ccc(CN(CCN2CCN(CC2)C(=O)c2nc3ccccc3[nH]2)c2ccccn2)cc1
COc1ccc(CN(CCN2CCN(CC2)C(=O)c2cc3cc(Cl)ccc3[nH]2)c2ccccn2)cc1
COc1ccc(CN(CCN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)c2ccccn2)cc1
O=C(N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1cc2ccccc2[nH]1
CC(C)(C)c1ccc(cc1)[C@@H](O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
CN(C)CC1CC2N(O1)c1cnccc1Cc1ccccc21
CN(C)CC1CC2N(O1)c1ccccc1Cc1ncccc21
NCCCCCCCCCCc1ccncc1
C(CCCCc1cnc[nH]1)CCCN1CCCC1
NCCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
NCCCCCCCCCCCCc1cnc[nH]1
NCCCCCCCCCCCCCc1cnc[nH]1
NCCCCCCCCCCCCc1cccnc1
NCCc1ccccn1
NCCCCCCCCCc1ccccn1
C(CCCCCCc1cnc[nH]1)CCCCCN1CCCC1
NCCCCCCCCCCCCc1ccncc1
NCCCCCCCCCc1cnc[nH]1
NCCCCCCCCCCc1cnc[nH]1
NCCCCCCCCCCCc1cnc[nH]1
C(CCCCCc1cnc[nH]1)CCCCN1CCCC1
NCCCCCCCCc1cnc[nH]1
NCCCCCCCCCCCCCCc1cnc[nH]1
NCCc1cnc([nH]1)-c1ccc(Cl)c(Cl)c1
NCCCCCCCCCCc1cccnc1
CC1=CC(C)=[N+]2C1=C(c1c(C)cc(C)n1[B-]2(F)F)c1ccc(OCCCN2CCCCC2)cc1 |c:4,t:1,7|
CNC1CN(C1)c1nc(N)nc2cc(cnc12)C1CC1
CNC1CN(C1)c1nc(N)nc2cc(cnc12)C1CCCC1
CCc1cnc2c(nc(N)nc2c1)N1CC[C@H](C1)NC |r|
CCc1cnc2c(nc(N)nc2c1)N1CC(C1)NC
Cc1c(C)c(=O)oc2cc(OCCCCN3CCC(CC3)c3noc4cc(F)ccc34)ccc12
Cc1cc(=O)oc2c(C)c(OCCCCN3CCC(CC3)c3noc4cc(F)ccc34)ccc12
Fc1ccc2c(noc2c1)C1CCN(CCCCOc2ccc3c(cc(=O)oc3c2)-c2ccccc2)CC1
COc1ccccc1N1CCN(CCCCOc2ccc3c(C)cc(=O)oc3c2)CC1
Cc1cc(=O)oc2cc(OCCCCN3CCC(CC3)c3noc4cc(F)ccc34)ccc12
CC1CCCN1C1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1
CC1CCCN1C1CCN(C1)c1ccc(NC(=O)c2ccccc2F)c(C)c1
COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
CC(N)Cc1c[nH]c2ccccc12
O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc12
CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc12
Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2OCCF)c1=O
COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1
C(N[C@@H]1C2C3CC4C5CC(C2C35)C14)C12C3C4C5C3C1C5C24 |r,wD:2.1,THB:4:11:8:12.6,5:6:10.11:8,3:10:8:12.6,2:12:10.11:8,(10.9,-13.99,;9.58,-14.73,;8.29,-13.96,;6.29,-14.03,;6.86,-12.77,;8.75,-12.79,;8.76,-11.28,;7.43,-10.5,;7.16,-9.13,;7.03,-11.8,;5.75,-12.37,;6.36,-11.25,;8.28,-12.33,;12.2,-14.76,;12.68,-15.28,;12.43,-17.17,;14.33,-17.29,;14.59,-15.38,;14.08,-14.88,;13.83,-16.78,;11.94,-16.66,)|
C(N[C@@H]1C2C3CC4C5CC(C2C35)C14)c1ccc2OCOc2c1 |r,THB:3:10:8:12.6,2:12:10.11:8,4:11:8:12.6,5:6:10.11:8|
COc1cc(CN[C@@H]2C3C4CC5C6CC(C3C46)C25)cc(OC)c1OC |r,THB:8:15:13:17.11,7:17:15.16:13,9:16:13:17.11,10:11:15.16:13|
COc1ccc(CN[C@@H]2C3C4CC5C6CC(C3C46)C25)cc1OC |r,THB:9:16:14:18.12,8:18:16.17:14,10:17:14:18.12,11:12:16.17:14|
C(N[C@@H]1C2C3CC4C5CC(C2C35)C14)c1ccccc1 |r,THB:3:10:8:12.6,2:12:10.11:8,4:11:8:12.6,5:6:10.11:8|
CN(CCc1cccc(F)c1)[C@@H]1C2C3CC4C5CC(C2C35)C14 |r,THB:12:19:17:15.21,11:21:19.20:17,13:20:17:15.21,14:15:19.20:17|
CN(Cc1cccc(F)c1)[C@@H]1C2C3CC4C5CC(C2C35)C14 |r,THB:11:18:16:14.20,10:20:18.19:16,12:19:16:14.20,13:14:18.19:16|
CN(CCc1cccc(F)c1)[C@@H]1C2C3C4C2C(=O)C2C4CC3C12 |r,TLB:11:22:13.14:20,16:18:13.14:20,THB:12:13:20:22.18,15:14:20:22.18|
NC1=NCc2cc(Cl)ccc2N1 |t:1|
Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCNCC3
CNc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1
C(Oc1ccc2CCN(CC3CC3)CCc2c1)c1ccccc1
C(CN1CCCCC1)Oc1ccc2CCN(CC3CC3)CCc2c1
C(COc1ccc2CCN(CC3CCCO3)CCc2c1)CN1CCCCC1
C(COc1ccc2CCN(CC3CC3)CCc2c1)CN1CCCCC1
C(COc1ccc2CCN(CCc2c1)c1ccccc1)CN1CCCCC1
CC(C)N1CCC(CC1)Oc1ccc2CCNCCc2c1
C(COc1ccc2CCNCCc2c1)CN1CCCCC1
O=C(N[C@H]1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)C1)c1ccc2OCOc2c1 |r|
O=C1CCCN1c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1
CNC(=O)c1cnc(Oc2ccc3CCN(CCc3c2)C2CCC2)cn1
CNC(=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1
CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc(N)c(c1)-c1ncccn1 |r,wU:17.22,7.8,wD:14.15,(49.17,-3.5,;50.51,-4.26,;49.19,-5.04,;51.4,-3,;52.87,-3.46,;54.11,-2.55,;52.89,-5,;51.43,-5.5,;50.7,-6.85,;49.16,-6.89,;48.43,-8.25,;49.24,-9.56,;50.79,-9.51,;51.51,-8.15,;54.14,-5.9,;54.14,-7.45,;55.47,-8.22,;56.81,-7.45,;56.8,-5.9,;55.47,-5.13,;58.14,-8.21,;59.46,-7.44,;60.8,-8.2,;60.8,-9.75,;62.14,-10.52,;59.47,-10.52,;58.14,-9.76,;59.47,-12.05,;58.14,-12.83,;58.14,-14.36,;59.47,-15.13,;60.81,-14.35,;60.8,-12.82,)|
CN1CCc2c(C1)c1cccc3Cc4ccccc4Cn2c13
CN1CCc2c(C1)c1cccc3CCc4ccccc4-n2c13
CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
Fc1ccc2c(noc2c1)C1CCN(CCCCOc2ccc3c4CCCc4c(=O)oc3c2)CC1
COc1ccccc1N1CCN(CCCCOc2ccc3c4CCCc4c(=O)oc3c2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCCOc2ccc3c4CCCc4c(=O)oc3c2Cl)CC1
Cc1c(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)ccc2c3CCCc3c(=O)oc12
Cc1[nH]cnc1CCC(=O)N1CC(C)(C)c2ccccc12
Cc1nnc(C)n1-c1ccc(OCCCN2CCCCC2)cc1
Cc1nnc(-c2cccnc2)n1-c1ccc(OCCCN2CCCCC2)cc1
C[C@H](NCc1ccc(OCCCN2CCCCC2)cc1)C(N)=O |r|
O=C1NC(C(=O)N1CCCN1CCCCC1)(c1ccccc1)c1ccccc1
O=C1NC(C(=O)N1Cc1ccc(OCCCN2CCCCC2)cc1)(c1ccccc1)c1ccccc1
Clc1ccc(CCCOCCCN2CCCCC2)cc1
[H][C@]12CC[NH+](CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CCN2c13
CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3nccc(C)c3n3cccc3c2=O)CC1
C(CN1CCN(CC1)c1ncccn1)Cc1nc2ccccc2s1
Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cc3ccccc3s2)CC1
[#6]\[#6]=[#6]\[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
[#6]-[#6](-[#6])-[#6]-[#6@@H](-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 |r|
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cc(-[#8]-[#6])cnc-12
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2ccc(nc-12)-[#6](=O)-[#8]-[#6]
[#6]-[#6](-[#6])-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)c1
[#6]-[#6](-[#6])-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
O=C(NCCCCN1CCN(CC1)c1ccccc1)c1ccc2ncccc2c1
COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
OC1(CCN(CCCCc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
OC1(CCN(CCCOc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
OC1(CCN(CCCSc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
OC1(CC2CCC(C1)N2CCCCc1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,20:1:8:4.5,0:1:8:4.5|
OC1(CC2CCC(C1)N2CCCOc1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,20:1:8:4.5,0:1:8:4.5|
OC1(CC2CCC(C1)N2CCCSc1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:4.5:2.1.7,20:1:8:4.5,0:1:8:4.5|
OC1(CC2CCC(C1)N2CCCSc1cccc(F)c1)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7|
OC1(CC2CCC(C1)N2CCCSc1ccccc1F)c1ccc(Cl)cc1 |TLB:20:1:8:4.5,0:1:8:4.5,9:8:4.5:2.1.7|
NC(=O)c1ccccc1OCCCN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
[H][C@@]12C[C@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6|
[H][C@]12C[C@@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6|
CC(C)NC(=O)N1CC[C@@H](C1)NC1=Nc2cc(F)ccc2N(CC(F)F)c2ccc(Cl)cc12 |r,t:13|
CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cc(cc4)F)F
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(cc2)-c2nc3ccccc3o2)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(Cc3nc4ccccc4o3)cc2)CC1
CN1CCN(CC1)c1nc2CCc3ccccc3-c2c(n1)N1CCN(C)CC1
CN1CCN(CC1)c1nc(NCCc2ccccc2)nc2CCc3ccccc3-c12
COc1ccc(CNc2nc3CCc4ccccc4-c3c(n2)N2CCN(C)CC2)cc1
CN1CCN(CC1)c1nc(NCc2ccccc2)nc2CCc3ccccc3-c12
CN1CCN(CC1)c1nc(NCCc2ccccc2)cc(n1)-c1ccccc1
COc1ccc(CNc2cc(nc(n2)N2CCN(C)CC2)-c2ccccc2)cc1
CN1CCN(CC1)c1nc(NCc2ccccc2)cc(n1)-c1ccccc1
CN1CCN(CC1)c1cc(nc(NCCc2ccccc2)n1)-c1ccccc1
COc1ccc(CNc2nc(cc(n2)-c2ccccc2)N2CCN(C)CC2)cc1
CN1CCN(CC1)c1cc(nc(NCc2ccccc2)n1)-c1ccccc1
COc1ccc(CNc2nc(nc-3c2CCc2ccccc-32)N2CCN(C)CC2)cc1-c1ccc(Cl)cc1
CN1CCN(CC1)c1nc(NCCc2ccccc2)c2CCc3ccccc3-c2n1
CN1CCN(CC1)c1nc(NCc2ccccc2)c2CCc3ccccc3-c2n1
CN1CCN(CC1)c1nc(NCCc2ccccc2)nc-2c1CCc1ccccc-21
COc1ccc(CNc2nc(N3CCN(C)CC3)c3CCc4ccccc4-c3n2)cc1
CN1CCN(CC1)c1nc(NCc2ccc(F)cc2)nc-2c1CCc1ccccc-21
CN1CCN(CC1)c1nc(NCc2ccc(C)cc2)nc-2c1CCc1ccccc-21
CN1CCN(CC1)c1nc(NCc2ccccc2)nc-2c1CCc1ccccc-21
CN1CCN(CC1)c1nc(N)nc-2c1CCc1ccccc-21
Fc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Clc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Brc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Cc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
C=CCN(CCc1c[nH]c2ccccc12)CC=C
NC[C@H]1CC[C@@H](C1)c1c[nH]cn1 |r|
NC[C@@H]1CC[C@@H](C1)c1c[nH]cn1 |r|
CN\C(NC[C@H]1CC[C@@H](C1)c1c[nH]cn1)=N/C#N |r|
CN\C(NC[C@@H]1CC[C@@H](C1)c1c[nH]cn1)=N/C#N |r|
N#C\N=C(/NC[C@H]1CC[C@@H](C1)c1c[nH]cn1)NC1CC1 |r|
N#C\N=C(/NC[C@@H]1CC[C@@H](C1)c1c[nH]cn1)NC1CC1 |r|
CC(C)CN\C(NC[C@H]1CC[C@@H](C1)c1c[nH]cn1)=N\C#N |r|
CC(C)CN\C(NC[C@@H]1CC[C@@H](C1)c1c[nH]cn1)=N\C#N |r|
N#C\N=C(\NCCCc1ccccc1)NC[C@H]1CC[C@@H](C1)c1c[nH]cn1 |r|
N#C\N=C(\NCCCc1ccccc1)NC[C@@H]1CC[C@@H](C1)c1c[nH]cn1 |r|
N#C\N=C(\NCCSc1ccccc1)NC[C@H]1CC[C@@H](C1)c1c[nH]cn1 |r|
N#C\N=C(\NCCSc1ccccc1)NC[C@@H]1CC[C@@H](C1)c1c[nH]cn1 |r|
N#C\N=C(\NCCOc1ccccc1)NC[C@H]1CC[C@@H](C1)c1c[nH]cn1 |r|
N#C\N=C(\NCCOc1ccccc1)NC[C@@H]1CC[C@@H](C1)c1c[nH]cn1 |r|
N#C\N=C(\NCCNc1ccccc1)NC[C@H]1CC[C@@H](C1)c1c[nH]cn1 |r|
N#C\N=C(\NCCNc1ccccc1)NC[C@@H]1CC[C@@H](C1)c1c[nH]cn1 |r|
CN\C(NC[C@@H]1CC[C@H](C1)c1c[nH]cn1)=N/C#N |r|
CN\C(NC[C@H]1CC[C@H](C1)c1c[nH]cn1)=N/C#N |r|
N#C\N=C(\NCCSc1ccccc1)NC[C@@H]1CC[C@H](C1)c1c[nH]cn1 |r|
N#C\N=C(\NCCSc1ccccc1)NC[C@H]1CC[C@H](C1)c1c[nH]cn1 |r|
CNC(=O)c1cc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)ccc1F
CNC(=O)c1cccc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)c1
C(CCc1c[nH]c2ccccc12)CN1CCc2ccccc2C1
O=C1N(CCCCN2CCC3CCCCC3C2)C(=O)c2ccccc12
Clc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
O=C(CCCN1CCc2ccccc2C1)c1ccccc1
O=C(CCCN1CCc2ccccc2C1)c1ccc(cc1)C#N
Fc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
NC(=O)c1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
COc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Fc1ccc(OCCCN2CCc3ccccc3C2)cc1
Fc1ccc(CCCCN2CCc3ccccc3C2)cc1
O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1
Clc1ccc2sc(CCCCN3CCC4(CC3)N(CNC4=O)c3ccccc3)nc2c1
O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3o2)CC1
O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1
Clc1ccc2n(C3CCN(CCCCc4nc5ccccc5o4)CC3)c(=O)[nH]c2c1
Clc1ccc2n(C3CCN(CCCCc4c[nH]c5ccccc45)CC3)c(=O)[nH]c2c1
OC1(CC2CCC(C1)N2CCCCc1nc2ccccc2s1)c1ccc(Cl)cc1
OC1(CC2CCC(C1)N2CCCCC(=O)c1nc2ccccc2s1)c1ccc(Cl)cc1
C(CN1CCc2ccccc2C1)Cc1nc2ccccc2s1
Clc1ccc2sc(CCCCN3CCC4CCCCC4C3)nc2c1
Clc1ccc(cc1)C(=O)CCCN1CCCc2ccccc2C1
CC1(C)CC(=O)N(CCCCN2Cc3ccccc3C2)C(=O)C1
Clc1ccc(cc1)-[#6](=[#6][#6]-[#6]-[#7]-1-[#6]-[#6]-c2ccccc2-[#6]-1)c1ccc(Cl)cc1
COc1cc2CCN(CCCCc3nc4cc(Cl)ccc4s3)Cc2cc1OC
Clc1ccc(cc1)C(=O)CCCN1CCc2ccccc2CC1
Clc1cccc2CCN(CCCCc3nc4ccccc4s3)Cc12
C(CC1=Cc2ccccc2CC1)N1CCc2ccccc2C1 |t:2|
Clc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
C(CN1CCc2ccccc2C1)Cc1nc2ccccc2[nH]1
Clc1ccc2sc(CCCCN3CCc4c(Cl)cccc4C3)nc2c1
O=C1C(CCN2CCc3ccccc3C2)Cc2ccccc12
Clc1ccc2sc(CCCCN3CCc4ccccc4C3)nc2c1
CN1CCC(CC1)Oc1ccccc1Cc1ccccc1
C(CN1CCCCCC1)Oc1ccccc1Cc1ccccc1
C(COc1ccccc1Cc1ccccc1)CN1CCCCCC1
CNCCOc1ccccc1Cc1ccccc1
CN(C)CCCOc1ccccc1Cc1ccccc1
C1CC(CCN1)Oc1ccccc1-c1ccccc1
Clc1ccc(Cc2ccccc2OC2CCNCC2)cc1
NCCOc1ccccc1Cc1ccccc1
C(CN1CCCC1)Oc1ccccc1Cc1ccccc1
C1CC(CCN1)Oc1ccccc1
CN1CCC(CC1)Oc1ccccc1
C(c1ccccc1)c1cccc(OC2CCNCC2)c1
C(c1ccccc1)c1ccc(OC2CCNCC2)cc1
CN(C)CCOc1ccccc1Cc1ccccc1
C[N+]1(C)CCC(CC1)Oc1ccccc1Cc1ccccc1
C(COc1ccccc1Cc1ccccc1)CN1CCCCC1
C(CN1CCCCC1)Oc1ccccc1Cc1ccccc1
CNCCCOc1ccccc1Cc1ccccc1
C(COc1ccccc1Cc1ccccc1)CN1CCCC1
CN1CCC(CC1)Oc1ccccc1Cc1ccc(Cl)cc1
C(CN1CCC1)Oc1ccccc1Cc1ccccc1
NCCCOc1ccccc1Cc1ccccc1
C(COc1ccccc1Cc1ccccc1)CN1CCC1
[H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|
[H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r|
C(COc1ccc(CCCN2CCN(CC2)c2cccc3cccnc23)cc1)CN1CCCCCC1
OC(=O)c1ccc2cccc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1
OC(=O)c1cc(N2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2ncccc2c1
OC(=O)c1ccc2cccnc2c1N1CCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1
OC(=O)CCc1ccc2cccc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1
CCCCc1cc(N2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2nc(CCC(O)=O)ccc2c1
OC(=O)CCc1ccc2cc(Cc3ccccc3)cc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1
N#Cc1ccc(N2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2ncccc12
C(CCc1ccc(OCCCN2CCCCCC2)cc1)CN1CCN(CC1)c1cccc2cccnc12
OC(=O)c1cnc2c(cccc2c1)N1CCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1
OC(=O)CCc1cnc2c(cccc2c1)N1CCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1
C(COc1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1)CN1CCCCCC1
OC(=O)c1ccnc2c(cccc12)N1CCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1
OC(=O)\C=C\c1ccc2cccc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1
CCc1cc(N2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2nc(CCC(O)=O)ccc2c1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2cc(Cl)ccc2Cl)CC1
Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc(=O)n(n2)-c2cccc(Cl)c2Cl)CC1
Fc1ccc(F)c(c1)-n1nc(OCCCN2CCC(CC2)c2noc3cc(F)ccc23)ccc1=O
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)C2CCC2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)S(C)(=O)=O)cc1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)CC(C)C)CC1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)c2cccs2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)c2ccccn2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)N2CCCC2)cc1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(C)=O)CC1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC3CC3)CC2)cc1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)c2ccc(cc2)C(C)(C)C)CC1
CCCCCC(=O)c1ccc(OCCCN2CCN(CCC)CC2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)c2ccc(C)s2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC(C)C)CC2)cc1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)c2ccc(SC)cc2)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)c2cccc(C)c2)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)c2ccc(F)cc2)CC1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)OC)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)CCC)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)NC(C)C)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)N2CCOCC2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCNCC2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)c2c[nH]cn2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)C2CC2)cc1
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CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)NCC)cc1
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CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)\C=C\c2cccnc2)CC1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)c2ccncc2)cc1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CCCCC2)CC1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)c2cccnc2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)Cc2ccccc2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)OCC)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(Cc3nccs3)CC2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)S(=O)(=O)C(C)C)cc1
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CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)OC(C)C)cc1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)c2ccc(OC)cc2)CC1
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CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)Cc2ccccc2)CC1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)c2occc2C)cc1
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#8]-c2ccc(cc2)-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]-1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)c2cccc(F)c2F)CC1
CCCCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)OCC)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)C(C)C)cc1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C(C)=C)CC1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)c2cccn2C)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)C(C)(C)O)cc1
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CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)CSCC)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)c2ccco2)cc1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)CC)CC1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)c2cnco2)cc1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)\C=C\c2ccc(OC)cc2)CC1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)OCCCC)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)c2ccccc2)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)CC)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)c2sccc2Cl)cc1
CCCCCC(=O)c1ccc(OCCCN2CCN(CCCC)CC2)cc1
N#Cc1ccc(cc1)-c1ccc(OCCCN2CCOCC2)cc1
O[C@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
O[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2c[nH]cn2)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccc(Br)cc2)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccsc2)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccncc2)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2cc[nH]c2)CC1
CC1CCCCN1CCCOc1ccc(cc1)-c1ccc(cc1)C#N
CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccc(Cl)cc2)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2cccs2)CC1
N#Cc1ccc(cc1)-c1ccc(OCCCN2CCCNCC2)cc1
CN[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccc(cc2C)C#N)CC1
NC1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)CC1
N#Cc1ccc(cc1)-c1ccc(OCCCN2CCNCC2)cc1
CC1CCCC(C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C#N
CC1CCCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
CC1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)CC1
C[C@@H]1CC[C@@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C#N
CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2cccc(c2)C#N)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccc(OC)cc2)CC1
N#Cc1ccc(cc1)-c1ccc(OCCCN2CC3CNCC3C2)cc1
OC1CCCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)[N+]([O-])=O)CC1
N[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
N#Cc1ccc(cc1)-c1ccc(OCCCN2CCCC2)cc1
OC1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccc(OC(F)(F)F)cc2)CC1
CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccccc2[N+]([O-])=O)CC1
CN(C)[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1 |r|
C[C@@]1(O)CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1