Compound Name

SMILES String

COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1

[H][C@@]1(CC[C@@H](CC1)NCc1ncc2OCC(=O)Nc2n1)[C@@H](N)Cn1c2cc(F)ccc2ncc1=O |r,wU:20.23,wD:4.7,1.0,(25.26,-46.78,;23.93,-46.02,;22.6,-45.26,;22.59,-43.72,;23.93,-42.94,;25.26,-43.71,;25.27,-45.24,;23.92,-41.4,;25.26,-40.63,;26.59,-41.4,;26.58,-42.95,;27.92,-43.71,;29.25,-42.94,;30.58,-43.71,;31.92,-42.94,;31.92,-41.39,;33.25,-40.62,;30.58,-40.61,;29.24,-41.39,;27.91,-40.63,;23.94,-47.56,;25.28,-48.32,;22.61,-48.34,;22.62,-49.88,;21.29,-50.66,;19.95,-49.9,;18.62,-50.67,;17.29,-49.9,;18.62,-52.21,;19.96,-52.98,;21.29,-52.22,;22.63,-52.99,;23.98,-52.21,;23.97,-50.65,;25.3,-49.88,)|

CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)C

CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|

CCCc1nc(c2n1NC(=NC2=O)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)CC)C

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1 |r|

OC(=O)c1ccc(cc1)-n1nc(nc1-c1ccccc1O)-c1ccccc1O

Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1N=Nc1cccc(-c2cccc(c2)C(O)=O)c1O |w:16.18|

CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3

Cc1c(cccc1O)C(=O)N[C@@H](CSc2ccccc2)[C@@H](C[N@@]3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O

[H][C@@]12CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@]([H])(CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C2)OC)[C@H](C)C[C@@H]1CC[C@@H](OCCO)[C@@H](C1)OC |r,c:32,51,t:47,49|

CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1

Cc1cc(cc(c1Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)N)Br)C)C#N

[H]C12CCN(CC1)C[C@@H]2OC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 |wD:8.10,21.25,TLB:9:8:2.3:6.5,(23.54,-9.18,;23.57,-7.64,;22.04,-8.3,;21.84,-6.92,;23.31,-6.28,;23.38,-4.63,;23.82,-5.74,;24.65,-6.88,;24.94,-8.28,;24.93,-9.81,;23.59,-10.56,;22.26,-9.79,;23.59,-12.1,;24.92,-12.9,;24.88,-14.45,;23.53,-15.19,;23.52,-16.72,;22.17,-17.47,;20.85,-16.68,;20.87,-15.14,;22.21,-14.39,;22.23,-12.84,;20.91,-12.06,;19.57,-12.81,;18.25,-12.02,;18.28,-10.47,;19.62,-9.73,;20.94,-10.52,)|

c1ccc(cc1)C(c2ccccc2)([C@@H]3CCN(C3)CCc4ccc5c(c4)CCO5)C(=O)N

Cc1cc(nc(n1)O[C@H](C(=O)O)C(c2ccccc2)(c3ccccc3)OC)C

COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C1CCCO1

OC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1

C[C@H](Cc1cc2c(c(c1)C(=O)N)N(CC2)CCCO)NCCOc3ccccc3OCC(F)(F)F

Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F

CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C

Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl

Cc1nnc(o1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCc3ccc(cc3)F

Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12

COc1ccc(CCN2[C@@H](CN(NS(C)(=O)=O)C2=O)c2ccc(OC)cc2)cc1 |r|

O[C@H](C(c1cccnc1)c1cccnc1)c1cccnc1-c1cc(Cl)cc(Cl)c1 |r|

CS(=O)(=O)Nc1cccc(n1)[C@@H](C(c1cccnc1)c1cccnc1)c1ccc(F)cc1 |r|

c1c(c2c([nH]1)ncnc2NC3CCC(CC3)N4CCOCC4)C5CCOCC5

CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N

COCC1=Nc2cc(nn2[C@@H](C1C(=O)N1CCC[C@H]1c1cc(C)no1)c1cc2ccccc2n1C)C(F)(F)F |r,t:3|

CC(C)(C)NC(=O)NCCN1CCC(CO)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1

CC(CC(O)=O)c1cccc(n1)-n1c(cc2ccc(OC(F)(F)F)cc12)C(N)=O

CCCN(CCC)[C@@H]([C@H](N(CCC)C[C@H](O)CO)c1ccccn1)c1ccccn1 |r|

Cc1cc([nH]n1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(C)c1C(=O)NOC(C)(C)C |r|

Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(C)c1S(N)(=O)=O |r|

Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn2CCNC(=O)c12 |r|

NC(=O)c1ccc(Cc2ccccc2)cc1-c1cccc(CCC(O)=O)c1

FC(F)(F)c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r|

C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(Nc2ccc(nc2)C2CC2)c1Cl |r|

C[C@]1(CN2Cc3nc(sc3C2)-c2ccc(F)cc2)CN=C(N)O1 |r,t:22|

C[C@]1(CN2Cc3nc(sc3C2)-c2ccc(F)cc2)Cn2cc(nc2O1)[N+]([O-])=O |r|

CO[C@@H](CNC(=O)[C@H](NC(=O)[C@H](O)[C@H](C)O)[C@H](O)c1cncn1C)[C@H](O)[C@H](O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(O)=O)C(C)(C)O)C(C)(C)O |r|