294 SMILES Strings for Nonstructural protein 3

Compound Name
SMILES String
NCCCC[C@@H]1NC(=O)CCNC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC1=O)NC(N)=N |r|
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-c1cn[nH]c1
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC1=O)C(N)=O)[C@@H](C)CC)[C@@H](C)O)C(C)C |r|
CC[C@H](C)[C@@H]1NC(=O)CN(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC1=O)[C@@H](C)CC)C(N)=O |r|
COc1ccc(C[C@@H]2N(C)C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3ccc(OC)cc3)N(C)C(=O)[C@H](Cc3ccc(OC)cc3)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3ccc(OC)cc3)N(C)C(=O)[C@H](CO)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3ccccc3)N(C)C(=O)[C@H](CCCCN)NC2=O)C(N)=O)cc1 |r|
COc1ccc(C[C@@H]2N(C)C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC2=O)C(N)=O)[C@@H](C)O)cc1 |r|
CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CN(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O)[C@@H](C)O)C(N)=O)[C@@H](C)O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@@H](NC1=O)[C@@H](C)CC)C(N)=O |r|
CC(=O)Nc1ccc2cc(ccc2c1)S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc2cc(O)c(O)cc2s1 |r|
Oc1cc2nc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)sc2cc1O |r|
Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)Nc1nc2cc(O)c(O)cc2s1
Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1nc2cc(O)c(O)cc2s1
Cc1ccc(cc1)S(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc2cc(O)c(O)cc2s1 |r|
Cc1ccc(cc1)S(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1nc2cc(O)c(O)cc2s1 |r|
Oc1cc2nc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3cccc(c3)[N+]([O-])=O)sc2cc1O |r|
Oc1cc2nc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(cc3)-c3ccccc3)sc2cc1O |r|
Oc1cc2nc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(cc3)-c3ccccc3)sc2cc1O |r|
COc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc2cc(O)c(O)cc2s1 |r|
Oc1cc2nc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)sc2cc1O |r|
Oc1cc2nc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3)sc2cc1O |r|
Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc2cc(O)c(O)cc2s1 |r|
Oc1cc2nc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccc3)sc2cc1O |r|
Oc1ccc2cc(Oc3ccccc3C(=O)Nc3nc4cc(O)c(O)cc4s3)ccc2c1
Cc1ccc(cc1)S(=O)(=O)NCC(=O)Nc1nc2cc(O)c(O)cc2s1
COc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc2cc(O)c(O)cc2s1 |r|
Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc2cc(O)c(O)cc2s1 |r|
Oc1cc2nc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)sc2cc1O |r|
Oc1cc2nc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3)sc2cc1O |r|
Oc1cc2nc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(cc3)[N+]([O-])=O)sc2cc1O |r|
Cc1ccc(cc1)S(=O)(=O)N1CCCC(C1)C(=O)Nc1nc2cc(O)c(O)cc2s1
CC(=O)Nc1ccc2cc(ccc2c1)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc2cc(O)c(O)cc2s1 |r|
Oc1cc2nc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(cc3)[N+]([O-])=O)sc2cc1O |r|
Oc1cc2nc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3)sc2cc1O |r|
[O-][N+](=O)c1ccc2nc(NC(=O)[C@H]3CCCN3C(=O)c3ccccc3)sc2c1 |r|
Oc1cc2nc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3cccc(c3)[N+]([O-])=O)sc2cc1O |r|
NC(=N)NCCC[C@H](NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r|
NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1nccs1)C(=O)N[C@H](C(N)=O)c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1 |r|
NCCCC[C@H](NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)NCC(N)=O |r|
[H]/N=C(\N)/NCCC[C@@H](C=O)NC(=O)[C@H](CCCCN)NC(=O)C
NCc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)B(O)O)cc1 |r|
Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1cc(O)c(O)c(O)c1
COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccc(c2)-c2ccccc2Cl)cc1N
c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r|
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
Clc1nc2n[nH]nc2nc1Cl
[#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r|
c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O
c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O
COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccccc2)cc1N
OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
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
NC(=N)c1cccc(c1)-c1ccc2ccc(cc2c1)-c1cccc(c1)C(N)=N
COc1cccc(Cn2c3ccc(cc3c3cc(ccc23)-c2cccc(c2)C(N)=N)-c2cccc(c2)C#N)c1
NC(=N)c1cccc(c1)-c1ccc2n(c3ccc(Br)cc3c2c1)S(=O)(=O)c1cccc(c1)C(N)=N
Cn1c2ccc(Br)cc2c2cc(ccc12)-c1cccc(c1)C(N)=N
NC(=N)c1cccc(c1)-c1cccc(c1)-c1cccc(c1)C(N)=N
NC(=N)c1cccc(Cn2c3ccc(cc3c3cc(ccc23)-c2cccc(c2)C#N)-c2cccc(c2)C#N)c1
NC(=N)c1cccc(c1)S(=O)(=O)n1c2ccc(Br)cc2c2cc(Br)ccc12
NC(=N)c1cccc(Cn2c3ccc(Br)cc3c3cc(Br)ccc23)c1
COc1cccc(Cn2c3ccc(Br)cc3c3cc(ccc23)-c2cccc(c2)C(N)=N)c1
COc1cccc(c1)S(=O)(=O)n1c2ccc(cc2c2cc(ccc12)-c1cccc(c1)C(N)=N)-c1cccc(c1)C#N
COc1cccc(Cn2c3ccc(cc3c3cc(ccc23)-c2cccc(c2)C(N)=N)-c2cccc(c2)C(N)=N)c1
Cn1c2ccc(cc2c2cc(ccc12)-c1cccc(c1)C(N)=N)-c1cccc(c1)C(N)=N
NC(=N)c1cccc(NC(=O)Nc2cccc(c2)C(N)=N)c1
COc1ccc(Cl)c2sc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C)cc3)nc12
[O-][N+](=O)c1ccc(N\N=C2\C=CC(=O)C(=C2)C(=O)Nc2cccc(Cl)c2)c(Cl)c1 |c:10,14|
Cn1c2ccc(cc2c2cc(ccc12)-c1cccc(c1)C(N)=N)-c1cccc(c1)C#N
NC(=N)c1cccc(c1)S(=O)(=O)n1c2ccc(cc2c2cc(ccc12)-c1cccc(c1)C#N)-c1cccc(c1)C#N
COc1cccc(c1)S(=O)(=O)n1c2ccc(Br)cc2c2cc(ccc12)-c1cccc(c1)C(N)=N
COc1cccc(c1)S(=O)(=O)n1c2ccc(cc2c2cc(ccc12)-c1cccc(c1)C(N)=N)-c1cccc(c1)C(N)=N
Cc1ccc(cc1OCCN)C(=O)NCC(O)CN1CCCC1
COc1cc(CN2CC(O)C2)ccc1OCC(O)CN1CCC(O)CC1
CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1sc(nc1-c1ccccc1)-c1ncco1
CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CC[C@H](C)[C@H]1C(=O)Nc1ccccc1-c1ncccn1 |r|
CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1 |r|
[H][C@]12CC[C@H](N1C(=O)[C@H](CC2)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r|
[H][C@]12CC[C@H](N1C(=O)[C@H](CCC2)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r|
CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CC(C)C |r|
CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](O)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1[nH]c2cc(F)ccc2c1C[C@@H]1C[C@H](O)CN1C(=O)[C@H](CC)NC(=O)[C@H](C)NC |r|
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc23)[C@@H](CN2CCOC[C@H]2C)CN1 |r|
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nc(CO)c(Cc4ccc(F)cc4)cc23)[C@@H](CN2CCOC[C@H]2C)CN1 |r|
Oc1cccc(c1)-c1c2CCc(n2)c(-c2cccc(O)c2)c2ccc([nH]2)c(-c2cccc(O)c2)c2ccc([nH]2)c(-c2cccc(O)c2)c2ccc1n2
Oc1c(I)cc2c(Oc3c(I)c(O)c(I)cc3C22OC(=O)c3ccccc23)c1I
CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11|
CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12
Brc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(Br)cc1
Ic1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(I)cc1
Ic1ccc(cc1)-c1ncc(OCCC2CCNCC2)nc1-c1ccc(I)cc1
Ic1ccc(cc1)-c1ncc(OCCCC2CCNCC2)nc1-c1ccc(I)cc1
C(Oc1cnc(-c2ccc(cc2)-c2ccsc2)c(n1)-c1ccc(cc1)-c1ccsc1)C1CCNCC1
C(Oc1cnc(-c2ccc(cc2)-c2ccoc2)c(n1)-c1ccc(cc1)-c1ccoc1)C1CCNCC1
CC(C)(C)c1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)C(C)(C)C
OCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(CO)cc1
OCc1ccc(cc1)-c1ncc(OCCC2CCNCC2)nc1-c1ccc(CO)cc1
CC(C)(C)C(=O)OCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(COC(=O)C(C)(C)C)cc1
CC(=O)OCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(COC(C)=O)cc1
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(CN)cc1
NCc1ccc(cc1)-c1ncc(OCCC2CCNCC2)nc1-c1ccc(CN)cc1
NCc1ccc(cc1)-c1ncc(OCCN2CCNCC2)nc1-c1ccc(CN)cc1
CC(=O)NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(CNC(C)=O)cc1
Cc1cc(CN)ccc1-c1ncc(OCC2CCNCC2)nc1-c1ccc(CN)cc1C
ONCc1ccc(cc1)-c1ncc(OCCC2CCNCC2)nc1-c1ccc(CNO)cc1
CN(C)Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(CN(C)C)cc1
NCc1ccc(cc1)-c1ccc(NCC2CCNCC2)nc1-c1ccc(CN)cc1
NCc1ccc(cc1)-c1cc(CNCC2CCNCC2)sc1-c1ccc(CN)cc1
NCc1ccc(cc1)-c1nc(N)c(OCC2CCNCC2)nc1-c1ccc(CN)cc1
NCc1ccc(cc1)-c1nc(OCC2CCNCC2)c2nccn2c1-c1ccc(CN)cc1
NCc1ccc(cc1)-c1nc(N2CC[C@H](N)C2)c2nccn2c1-c1ccc(CN)cc1 |r|
NCc1ccc(cc1)-c1nc(N2CCC[C@@H](N)C2)c2nccn2c1-c1ccc(CN)cc1 |r|
NCc1ccc(cc1)-c1nc(OCC2CCNCC2)cnc1-c1ccc(O)cc1
CN(C)Cc1ccc(cc1)-c1nc(OCC2CCNCC2)cnc1-c1ccc(O)cc1
CC(=O)NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(CN)cc1
NCc1ccc(cc1)-c1nc(OCC2CCNCC2)cnc1-c1ccncc1
NCc1ccc(cc1)-c1nc(OCCC2CCNCC2)cnc1-c1ccncc1
COc1cc(CN)ccc1-c1nc(OCC2CCNCC2)cnc1-c1ccncc1
CN(C)Cc1ccc(cc1)-c1nc(OCC2CCNCC2)cnc1-c1cccnc1
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(CN)c(F)c1
NCCNc1nc(OCC2CCNCC2)cnc1-c1ccc(CN)cc1
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1CCN1CCOCC1
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-n1cccn1
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-n1ccnn1
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-n1ccnc1
Cn1cc(cn1)-c1nc(OCC2CCNCC2)cnc1-c1ccc(CN)cc1
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1cn[nH]c1
Cc1noc(C)c1-c1nc(OCC2CCNCC2)cnc1-c1ccc(CN)cc1 |(78.04,-24.42,;76.9,-23.39,;75.39,-23.71,;74.62,-22.38,;75.65,-21.24,;75.33,-19.73,;77.05,-21.86,;78.38,-21.09,;79.72,-21.86,;81.06,-21.09,;82.39,-21.86,;83.72,-21.08,;85.06,-21.85,;86.39,-21.08,;87.73,-21.85,;87.73,-23.39,;86.4,-24.16,;85.06,-23.39,;81.05,-19.54,;79.72,-18.77,;78.39,-19.54,;77.06,-18.78,;77.06,-17.23,;75.73,-16.46,;74.39,-17.23,;73.06,-16.47,;71.72,-17.24,;74.4,-18.78,;75.73,-19.54,)|
Cc1noc(C)c1-c1ccc(cc1)-c1nc(OCC2CCNCC2)cnc1-c1ccc(CN)cc1
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-n1ccnn1
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-n1cc(CO)nn1
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(Oc2ccccc2)cc1
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-c1ccncc1
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1
CC(=O)c1ccc(cc1)-c1nc(OCC2CCNCC2)cnc1-c1ccc(CN)cc1
CC(C)c1ccc(cc1)-c1nc(OCC2CCNCC2)cnc1-c1ccc(CN)cc1
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(O)cc1
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc2nc[nH]c2c1
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1cccc2[nH]cnc12
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1cc2ccccc2[nH]1
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1cccc2[nH]ccc12
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc2[nH]ccc2c1
NCc1ccc(cc1)-c1ncc(NCC2CCNCC2)nc1C(=O)Nc1ccc(Cl)cc1
NCc1ccc(cc1)-c1ncc(NCC2CCNCC2)nc1C(=O)Nc1ccc(I)cc1
NCc1ccc(cc1)-c1ncc(NCC2CCNCC2)nc1C(=O)Nc1ccc(Br)cc1
NCc1ccc(cc1)-c1nc(OCC2CCNCC2)cnc1-c1ccc(cc1)-c1ccoc1
CNCc1ccc(cc1)-c1nc(OCC2CCNCC2)cnc1-c1ccc(cc1)-c1ccoc1
CN(C)Cc1ccc(cc1)-c1nc(OCC2CCNCC2)cnc1-c1ccc(cc1)-c1ccoc1
CNCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1
CN(C)Cc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1
NCc1ccc(cc1)-c1nc(OCCN2CCNCC2)cnc1-c1ccc(cc1)-c1ccoc1
NCc1ccc(cc1)-c1ncc(OCCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1
NCc1ccc(cc1)-c1ncc(NCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1
NCc1ccc(cc1)-c1ncc(NCC2CCNCC2)nc1-c1ccc(cc1F)-c1ccoc1
NCc1ccc(cc1F)-c1ncc(NCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1
NCc1ccc(cc1)-c1ccc(NCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1
NCc1ccc(cc1)-c1ncc(NCC2CCNCC2)nc1C(=O)Nc1ccc(cc1)-c1ccoc1
NCc1ccc(cc1)-c1ncc(NCC2CCNCC2)nc1-c1ccc(cc1)-c1ccsc1
COc1cc(ccc1C(N)=O)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-c1ccsc1
NCc1ccc(cc1)-c1ncc(OCC2CCCCC2)nc1-c1ccc(cc1)-c1ccoc1
NCc1ccc(cc1)-c1ncc(OCc2ccccc2)nc1-c1ccc(cc1)-c1ccoc1
NCc1ccc(cc1)-c1ncc(OC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1
NCCCOc1cnc(-c2ccc(CN)cc2)c(n1)-c1ccc(cc1)-c1ccoc1
CNCCOc1cnc(-c2ccc(CN)cc2)c(n1)-c1ccc(cc1)-c1ccoc1
CC(Oc1cnc(-c2ccc(CN)cc2)c(n1)-c1ccc(cc1)-c1ccoc1)C1CCNCC1
NC(=O)c1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1
NC(=O)c1ccc(cc1F)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1
ONCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1
Cc1cc(CN)ccc1-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1
NCc1cccc(c1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)-c1ccoc1
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1CO)-c1ccoc1
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1F)-c1ccoc1
COc1cc(ccc1-c1nc(OCC2CCNCC2)cnc1-c1ccc(CN)cc1)-c1ccoc1
Cc1cc(ccc1-c1nc(OCC2CCNCC2)cnc1-c1ccc(CN)cc1)-c1ccoc1
Cc1cc(ccc1-c1ccoc1)-c1nc(OCC2CCNCC2)cnc1-c1ccc(CN)cc1
COc1cc(ccc1-c1ccoc1)-c1nc(OCC2CCNCC2)cnc1-c1ccc(CN)cc1
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(-c2ccoc2)c(c1)C#N
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)C(=O)N1CCCC1
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)C(=O)N1CCOCC1
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)C(=O)N1CCCCC1
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)C1CCOC1
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1cccc(c1)C1CCOC1
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)N1CCCC1
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)N1CCCCC1
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)C1CCCCC1
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)C1CCNCC1
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)C1=CCNCC1 |t:32|
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)N1CCNCC1
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(nc1)C1CCOCC1
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)C1CCOCC1
NCc1ccc(cc1)-c1ncc(OCC2CCNCC2)nc1-c1ccc(cc1)N1CCOCC1
C[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1nc2cc(O)c(O)cc2s1 |r|
CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1nc2cc(O)c(O)cc2s1 |r|
Cc1ccc(cc1)S(=O)(=O)N[C@H](C(=O)Nc1nc2cc(O)c(O)cc2s1)C(C)(C)C |r|
Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1nc2cc(O)c(O)cc2s1 |r|
Cc1ccc(cc1)S(=O)(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1nc2cc(O)c(O)cc2s1 |r|
Oc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)Nc2nc3cc(O)c(O)cc3s2)cc1 |r|
Oc1cc2nc(NC(=O)[C@H](CC(=O)Nc3ccccc3)NC(=O)c3ccccc3)sc2cc1O |r|
Oc1cc2nc(NC(=O)CN(C(=O)c3ccccc3)c3ccccc3)sc2cc1O
Oc1cc2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2cc1O
Oc1cc2nc(NC(=O)C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)sc2cc1O
Oc1cc2nc(NC(=O)c3ccccc3)sc2cc1O
Oc1cc2nc(NC(=O)c3ccc(I)cc3)sc2cc1O
Oc1cc2nc(NC(=O)c3ccc(Cl)cc3)sc2cc1O
Cc1ccc(cc1)C(=O)Nc1nc2cc(O)c(O)cc2s1
Oc1cc2nc(NC(=O)c3ccc(cc3)-c3ccccc3)sc2cc1O
[O-][N+](=O)c1ccc2nc(NC(=S)Nc3ccc(I)cc3)sc2c1
Oc1cc2nc(sc2cc1O)C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1 |r|
Oc1cc2nc(sc2cc1O)C(=O)Nc1ccccc1
Oc1cc2cc([nH]c2cc1O)C(=O)Nc1ccccc1
Oc1cc2cc(sc2cc1O)C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1 |r|
Oc1cc2cc(sc2cc1O)C(=O)Nc1ccccc1
Oc1cc2cc(oc2cc1O)C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1 |r|
Oc1cc2cc(oc2cc1O)C(=O)Nc1ccccc1
Oc1cc2cc(oc2cc1O)C(=O)N1CCCC[C@H]1C(=O)Nc1ccccc1 |r|
Oc1cc2cc(cnc2cc1O)C(=O)Nc1ccccc1
Oc1cc(O)c2cc(oc2c1)C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1 |r|
Oc1cc2nc(sc2cc1O)C(=O)Nc1ccc(I)cc1
CC(C)(C)c1ccc(cc1)-c1cc2[nH]cc(C(=O)NC3CCNCC3)c2cc1-c1ccc(cc1)C(C)(C)C
CC(C)(C)c1ccc(cc1)-c1ccc2[nH]cc(C(=O)NCC3CCNCC3)c2c1
CC(C)(C)c1ccc(cc1)-c1ccc2n(CCCC3CCNCC3)cc(C(=O)NCC3CCNCC3)c2c1
CC(C)(C)c1ccc(cc1)-c1ccc2n(Cc3ccc(cc3)-c3ccoc3)ccc2c1
CC(C)(C)c1ccc(cc1)-c1ccc2n(Cc3ccc(cc3)-c3ccncc3)ccc2c1
CC(C)(C)c1ccc(cc1)-c1ccc2[nH]c(cc2c1)C(=O)NCC1CCNCC1
CC(C)(C)c1ccc(cc1)-c1ccc2c(c[nH]c2c1)C(=O)NCC1CCNCC1
CC(C)(C)c1ccc(cc1)-c1ccc2cc([nH]c2c1)C(=O)NCC1CCNCC1
CC(C)(C)c1ccc(cc1)-c1ccc2c(c[nH]c2n1)C(=O)NCC1CCNCC1
CC(C)(C)c1ccc(cc1)-c1ccc2[nH]c(nc2c1)C(=O)NCC1CCNCC1
CC(C)(C)c1ccc(cc1)-c1ccc2sc(cc2c1)C(=O)NC1CCNCC1
CC(C)(C)c1ccc(cc1)-c1ccc2cc(sc2c1)C(=O)NC1CCNCC1
CC(C)(C)c1ccc(cc1)-c1ccc2c(coc2c1)C(=O)NC1CCNCC1
O=C(NC1CCNCC1)c1c[nH]c2ccc(cc12)-c1ccc(cc1)C#N
COc1cc(cc(OC)c1OC)-c1ccc2[nH]cc(C(=O)NC3CCNCC3)c2c1
Fc1ccc(cc1)-c1ccc2[nH]cc(C(=O)NCC3CCNCC3)c2c1
Fc1ccc(c(F)c1)-c1ccc2[nH]cc(C(=O)NCC3CCNCC3)c2c1
O=Cc1cccc(c1)-c1ccc2[nH]cc(C(=O)NCC3CCNCC3)c2c1
COc1cc(cc(OC)c1OC)-c1ccc2c(c[nH]c2c1)C(=O)NCC1CCNCC1
Fc1ccc(cc1)-c1ccc2c(c[nH]c2c1)C(=O)NCC1CCNCC1
Fc1ccccc1-c1ccc2c(c[nH]c2c1)C(=O)NCC1CCNCC1
Cc1ccc(cc1)-c1ccc2c(c[nH]c2c1)C(=O)NCC1CCNCC1
NCc1ccc(cc1)-c1ccc2c(c[nH]c2c1)C(=O)NCC1CCNCC1
O=C(NCC1CCNCC1)c1c[nH]c2cc(ccc12)-c1ccc(cc1)C#N
O=C(NCC1CCNCC1)c1c[nH]c2cc(ccc12)-c1ccc(cc1)-c1ccccc1
O=C(NCC1CCNCC1)c1c[nH]c2cc(ccc12)-c1ccc(CN2CCCCC2)cc1
Clc1ccc(cn1)-c1ccc2c(c[nH]c2c1)C(=O)NCC1CCNCC1
O=C(NCC1CCNCC1)c1c[nH]c2cc(ccc12)-c1cccnc1
O=C(NCC1CCNCC1)c1c[nH]c2cc(ccc12)-c1ccncc1
O=C(NC1CCNCC1)c1c[nH]c2cc(ccc12)-c1ccncc1
O=C(NCCC1CCNCC1)c1c[nH]c2cc(ccc12)-c1ccncc1
O=C(NCC1CCNCC1)c1c[nH]c2cc(ccc12)-c1cn[nH]c1
O=C(NCC1CCNCC1)c1cc2cc(ccc2[nH]1)-c1cccnc1
O=C(NCC1CCNCC1)c1cc2cc(ccc2[nH]1)-c1ccncc1
O=C(NCC1CCNCC1)c1cc2cc(ccc2[nH]1)-c1cn[nH]c1
NCc1ccc(cc1)-c1ccc2[nH]c(cc2c1)C(=O)NCC1CCNCC1
O=C(NCC1CCNCC1)c1cc2cc(ccc2[nH]1)-c1ccc(cc1)-c1ccoc1
O=C(NCC1CCNCC1)c1cc2cc(ccc2[nH]1)-c1ccc(cc1)-c1ccsc1
O=C(NCC1CCNCC1)c1cc2cc(ccc2[nH]1)-c1ccc(CN2CCCCC2)cc1
O=C(NCC1CCNCC1)c1cc2cc(ccc2[nH]1)-c1ccc(cc1)N1CCCCC1
O=C(NCC1CCNCC1)c1cc2cc(ccc2[nH]1)-c1ccc(cc1)N1CCCC1
O=C(NCC1CCNCC1)c1cc2cc(ccc2[nH]1)-c1ccc(cc1)N1CCOCC1
O=C(NCC1CCNCC1)c1cc2cc(ccc2[nH]1)-c1ccc(cc1)N1CCNCC1
O=C(NCC1CCNCC1)c1cc2cc(ccc2[nH]1)-c1ccc(cc1)C#N
Cc1cc(ccc1-c1ccc2[nH]c(cc2c1)C(=O)NCC1CCNCC1)C#N
O=C(NCC1CCNCC1)c1cc2cc(ccc2[nH]1)-c1cccc(c1)C#N
O=C(NCC1CCNCC1)c1cc2ccccc2[nH]1
O=C(NCC1CCNCC1)c1cc2ccc(cc2[nH]1)-c1ccccc1
Fc1ccc(cc1)-c1ccc2cc([nH]c2c1)C(=O)NCC1CCNCC1
COc1ccc(cc1)-c1ccc2cc([nH]c2c1)C(=O)NCC1CCNCC1
FC(F)(F)Oc1ccc(cc1)-c1ccc2cc([nH]c2c1)C(=O)NCC1CCNCC1
NCc1ccc(cc1)-c1ccc2cc([nH]c2c1)C(=O)NCC1CCNCC1
NC(=O)c1ccc(cc1)-c1ccc2cc([nH]c2c1)C(=O)NCC1CCNCC1
OCc1ccc(cc1)-c1ccc2cc([nH]c2c1)C(=O)NCC1CCNCC1
OCCc1ccc(cc1)-c1ccc2cc([nH]c2c1)C(=O)NCC1CCNCC1
O=C(NCC1CCNCC1)c1cc2ccc(cc2[nH]1)-c1ccc(Oc2ccccc2)cc1
O=C(NCC1CCNCC1)c1cc2ccc(cc2[nH]1)-c1ccc(cc1)N1CCNCC1
O=C(NCC1CCNCC1)c1cc2ccc(cc2[nH]1)-c1ccc(cc1)N1CCCCC1
O=C(NC1CCNCC1)c1cc2ccc(cc2[nH]1)-c1ccncc1
O=C(NCC1CCNCC1)c1cc2ccc(cc2[nH]1)-c1ccncc1
O=C(NCC1CCNCC1)c1cc2ccc(cc2[nH]1)-c1cccnc1
O=C(NCC1CCNCC1)c1cc2ccc(cc2[nH]1)C1=CCOCC1 |t:22|
O=C(NCC1CCNCC1)c1cc2ccc(cc2[nH]1)C1=CCNCC1 |t:22|
O=C(NCC1CCNCC1)c1cc2ccc(cc2[nH]1)-c1cn[nH]c1
O=C(NCC1CCNCC1)c1cc2ccc(cc2[nH]1)-c1ccsc1
O=C(NCC1CCNCC1)c1cc2ccc(cc2[nH]1)-c1ccoc1
O=C(NCC1CCNCC1)c1c[nH]c2cc(-c3ccoc3)c(cc12)-c1ccoc1
O=C(NC1CCNCC1)c1coc2cc(ccc12)-c1ccoc1
O=C(NC1CCNCC1)c1coc2cc(ccc12)-c1ccc(cc1)C#N
FC(F)(F)c1ccc(cc1)-c1ccc2c(c[nH]c2n1)C(=O)NCC1CCNCC1
O=C(NCC1CCNCC1)c1c[nH]c2nc(ccc12)-c1ccncc1
O=C(NCC1CCNCC1)c1c[nH]c2nc(ccc12)-c1ccc(CN2CCCCC2)cc1
O=C(NCC1CCNCC1)c1c[nH]c2nc(ccc12)-c1ccc(CN2CCOCC2)cc1
NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)Cc1ccc(OCCCCS)cc1)C(=O)NC[C@H]1CC[C@@H](CC1)NC(N)=N |r,wU:5.4,38.42,wD:9.9,35.35,(27.26,-4.16,;27.27,-5.7,;25.94,-6.47,;25.94,-8.01,;24.61,-8.79,;24.62,-10.33,;23.29,-11.1,;21.95,-10.34,;21.94,-8.8,;20.62,-11.11,;20.62,-12.65,;19.29,-13.43,;19.3,-14.97,;17.97,-15.74,;17.98,-17.28,;19.28,-10.35,;17.95,-11.12,;17.96,-12.66,;16.62,-10.36,;15.28,-11.13,;15.29,-12.68,;13.95,-13.45,;12.62,-12.68,;11.28,-13.45,;9.95,-12.68,;8.62,-13.45,;7.28,-12.68,;5.95,-13.45,;4.62,-12.68,;12.62,-11.14,;13.95,-10.37,;25.95,-11.09,;25.96,-12.63,;27.28,-10.32,;28.62,-11.08,;29.95,-10.31,;31.3,-11.08,;32.62,-10.31,;32.62,-8.77,;31.29,-8,;29.95,-8.77,;33.96,-8,;35.29,-8.77,;36.63,-8,;35.29,-10.31,)|
[O-][N+](=O)c1ccc(Nc2ccc3[nH]ncc3c2)nc1N1CCNCC1
COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)Nc1nc2ccccc2s1