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jarod0411
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llm_sim

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p1
stringlengths
8
252
p2
stringlengths
8
204
similarity
float64
0.02
0.99
N#Cc1c(NC(=O)C[C@H](C(=O)O)c2ccc(F)cc2)sc2c1CCC2
NC1(Cc2cccc(C(F)(F)F)c2)CCS(=O)(=O)CC1
0.374856
NC(=O)CN1CCC[C@@H](C(=O)N2CCC(O)(c3ccccc3)CC2)C1
C=C1C(=O)O[C@@H]2[C@H]1[C@@H](OC(=O)C(C)C)[C@H]1[C@](C)([C@H](O)CC[C@@]1(C)O)[C@@H]2OC(=O)/C(C)=C/C
0.360097
Cc1nc(CCNC(=O)N2CC[C@H](Oc3ccccc3)C2)nc2c1CCCC2
COc1ccc([C@H](C)NC(=O)c2cnccn2)cc1
0.41199
Cc1ccccc1C1=CCN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1
O=c1ccccn1CCN1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1
0.545455
Cc1ccc(NC(=O)N2CCC[C@H]2c2ccccc2F)cc1
COc1cc(CNC[C@@H]2CC(=O)N(C)[C@H]2c2ccncc2)ccc1C
0.525092
Nc1cncc(-c2ccc(C(=O)N3CCC(Cc4ccc(O)nc4)CC3)cc2)n1
Cc1ncc2n1C[C@@H](C(=O)N(CCc1ccccc1)CC(=O)O)CC2
0.497194
CN(CC(=O)Nc1nc2c(F)cccc2s1)[C@@H]1CCS(=O)(=O)C1
O=C(COC(=O)c1ccc2ncsc2c1)NCC1CCCCC1
0.503546
Cc1cc([C@H]2CCCN2C(=O)NCCN2CCCC[C@@H]2C)on1
O=S(=O)(NCC1CCN([C@H]2CCSC2)CC1)c1cccnc1
0.398274
CN(CC(=O)N1CC[C@H](O)[C@](CO)(Cc2ccccc2)C1)Cc1ccc(F)cc1
Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NCc3ccccc3)Oc3ccc(Cl)cc32)cc1
0.508938
Cc1cc(C=O)c(C)n1NC(=S)Nc1ccccc1
c1ccc(-c2nc(N3CC4(COc5ccccc5C4)C3)no2)cc1
0.414779
O=C(O)c1nc2[nH]ccc2cc1Br
COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c(OC)c1OC
0.390625
COc1ccccc1[C@H](NC(=O)c1ccc(-c2nnc(C)n2C)cc1)c1nccn1C
C[C@@H]1OCC[C@H]1[S@@](=O)Cc1cn2ccccc2n1
0.498364
O=C1NC(=S)S/C1=C/c1ccc(N2CCCC2)c(F)c1
CC(C)c1nnc([C@@H]2CN(C(=O)CCOC[C@H]3CCCO3)CCO2)o1
0.44132
Cc1cc(C(=O)N(Cc2ccccn2)[C@H]2CCCNCC2)on1
COc1ccc(-c2cc3ccc(O)c(CN4CCCC4)c3oc2=O)c(OC)c1
0.550162
CCOC(=O)c1cn(CC(C)C)c2ccc(F)cc2c1=O
O=C(O)CCC(=O)N1CC[C@@H](O)[C@H](Cc2ccc(Cl)cc2)C1
0.37037
Cc1ccccc1N(C(=O)CNC(=O)c1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1
Cc1nnc(-c2cccc(NC(=O)[C@H]3CCCCN3C(=O)C(C)C)c2)s1
0.592357
Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1
Cc1nn2c(c1I)NC[C@@H](C)C2
0.399522
Cc1ccsc1C(=O)OCC(=O)NCc1ccc2c(c1)OCO2
CCc1nnc(NC(=O)CSc2nnc(COc3ccc(C)c(C)c3)o2)s1
0.468565
C[C@H](CNC(=O)[C@@](C)(c1ccccc1)N1CCCC1)N1CCOCC1
CC1CCN(C(=O)[C@H](C)OC(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CC1
0.505695
CCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)c1ccccc1
CS(=O)(=O)N1CCC[C@H](NC(=O)CC2(O)CCCC2)C1
0.414236
Cc1cc(N2C[C@@H](N)C[C@H]2C)nc(N(C)c2ccccc2)n1
Cc1cc2nc(N3CCC[C@H](CO)C3)c3ccccc3n2n1
0.583243
c1ccc(-c2cc3c(N4CCO[C@H]5CCC[C@H]54)ncnc3s2)cc1
O=S1(=O)C[C@H](CNS(=O)(=O)c2cccc3c2OCC3)c2ccccc21
0.669734
CCS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2Cc2cc(F)ccc2F)c1
O=C(NCc1ccccc1N1CCCC1)c1cccc(N=c2cc[nH]cc2)c1
0.481212
CCc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C3=O)o2)cc1
COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCNC[C@@H]1C
0.389554
COc1ccc(OC)c(NC(=O)[C@H]2[C@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)O)c1
CC(C)[C@H](C)N(Cc1ccco1)C(=O)c1nc(O)c2ccccc2n1
0.458613
CC(=O)N1CCn2c(-c3cnn(C)c3)cnc2C12CCN(C(=O)c1cnc(C)cn1)CC2
CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC(=O)[C@@H]32)C1
0.268737
Nc1cc(C(=O)N2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)ccn1
O=C(Nc1c(F)cccc1Oc1ccccc1)c1cc[nH]n1
0.470035
CC(C)CN1CCN(C(=O)[C@@H](C)Oc2ccccc2)CCC1=O
C[C@@H]1CCCC[C@@H]1N1C(=O)C(=O)N(CC(=O)N[C@H](c2ccccc2)c2cccs2)C1=O
0.372064
C[C@H](CNC(=O)CCc1ncc(-c2ccc(F)cc2)o1)Cn1cccn1
O=C(C1CC1)N1CCC(F)(F)[C@@]2(CCN(c3ncccc3F)C2)C1
0.476563
CCCC(=O)Nc1cccc(C(=O)O)c1C
C[C@@H]1CN(C(=O)N2c3ncccc3N3CC[C@H]2C3)C[C@H]1C
0.409091
O=C(NCc1nncn1-c1ccccc1)[C@H]1CSc2ccccc21
Cc1cccc(Cl)c1C(=O)N1CCCC[C@H]1CCC(=O)O
0.447462
COc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1
CN1CCO[C@@H](C(=O)N2CCCCO2)C1
0.308451
CNC(=O)Nc1ccc(NC(=O)CCc2cccnc2)cc1
Cc1cnn(-c2ccc(S(=O)(=O)NCC3(c4ccccn4)CC3)cc2F)c1
0.334515
C=CCn1cc(N2C(=O)C=CC2=O)cn1
COc1ccccc1-c1nnc(SCC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)o1
0.383807
CSc1nc(SC)c([N+](=O)[O-])c(SC)n1
COc1cc(N)c(Cl)cc1C(=O)OCC(=O)N1c2ccccc2C[C@@H]1C
0.380787
COC(=O)c1sccc1S(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccccc1
Oc1ccccc1[C@H]1Nn2c(nnc2-c2ccccc2)S1
0.641745
O=C(C1CCCC1)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21
O=C(NCC[C@H](O)c1ccc2c(c1)OCO2)C(=O)NCc1ccco1
0.406211
Cn1cc(-c2cccc(-n3cccn3)c2)c(CN)n1
O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCCN1C(=O)c1cccs1
0.474614
Cc1c(C(=O)N[C@@H](c2ccccc2)C2CC2)cnn1-c1ccccn1
CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1
0.542299
C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNc1ncc(C#N)cc1Cl
O=c1[nH]oc2cc(Br)ccc12
0.330598
CC(C)CN1C(=O)CCc2cc(NC(=O)CC(C)(C)C)ccc21
C[C@@H](CCC(=O)NCc1nc2ccccc2n1C)N1CCOCC1
0.370513
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1
COc1ccc([C@H]2OCC[C@@H]2NC(=O)c2csnc2C)cn1
0.62268
COCc1n[nH]c([C@@H]2CCCCN2C(=O)Cc2cccc(F)c2F)n1
CCc1ccccc1-n1cc(C(=O)N[C@H](CO)C(F)(F)F)nn1
0.491821
Cc1cc(CNC(=O)c2ccc3c(c2)Cc2cccc(c2)CNCCCCCO3)n[nH]1
Cc1nc([C@H]2CCCN(C(=O)c3c(C)nc4ncccn34)C2)cc(=O)[nH]1
0.512432
CC(C)(C)SCCNC(=S)Nc1ccc(N2CCCC2=O)cc1
CCOC(=O)[C@H]1C(=O)N=C(N2CCOCC2)N[C@@H]1c1ccc(F)cc1
0.342891
C[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(Cl)cc1Cl
CCCC(=O)N[C@@H]1CC(=O)N(c2cccc(OC)c2)C1
0.359593
CCN(C)C(=O)c1ccc2c(c1)nnn2CC
N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@H](CC(N)=O)C1
0.418835
CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccc(F)cc1
COc1ccc2c(C)c(C(=O)N3CCC(Nc4ncccn4)CC3)oc2c1
0.603158
CC(C)n1ccc(C[S@](=O)[C@H](C)c2ccc(Cl)c(Cl)c2)n1
CN(C(=O)CN1CCO[C@@H](Cn2cncn2)C1)C1(C#N)CCCCC1
0.403509
COCCn1nnnc1-c1ccncc1N
Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@H]3CCCc4ccccc43)C2)n1
0.410755
CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)N2CCNC(=O)C2(C)C)CC1
Cc1cc(C)c(C)c(OCC(=O)NCCSCc2ccccc2)c1
0.376123
CCc1ccc(NC(=O)COc2ccc(C=O)cc2)cc1
CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1CCc2ccccc21
0.350384
Oc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)cc1
CC1CCN(C(=O)CSc2nnc(-c3ccccc3Cl)o2)CC1
0.559063
CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C1CCCC1
COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3cccc(C)c3C)CC2)c(OC)c1
0.592712
C[C@@H](NC(=O)Nc1ccccc1C[S@](C)=O)[C@@H]1C[C@H](C(=O)O)C1(C)C
CC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccc3c(c2)COC3)C1=O
0.504376
COC(=O)c1ccc(Cl)c(S(=O)(=O)NCCSC2CCCC2)c1
O=C(c1ccccc1)[C@H]1CCCN(Cc2nc(-c3ccccn3)no2)C1
0.463918
O=C(N[C@@H]1CCc2ccccc2-n2ccnc21)c1cnc(C2CC2)[nH]1
COC(=O)[C@H](Cc1cncn1COCc1ccccc1)NC(=O)OC(C)(C)C
0.546809
CS(=O)(=O)N1CCCN(C(=O)Cc2csc(-c3ccsc3)n2)CC1
COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CN1CCCC[C@@H]1C)CC2
0.604803
Cc1cc(C)c(NC(=O)CNC(=O)[C@@H]2COc3ccccc3O2)c(C)c1
O=C(Nc1cc2c(cc1Cl)OCCCO2)[C@H]1Cc2ccccc2O1
0.533578
N=c1[nH]c(C2CC2)ncc1-c1noc([C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n1
CCc1nc2ccccc2n1CC(=O)N(C)[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O
0.550321
Cc1ccsc1CN(C)CCC(=O)Nc1ccc(N2CCCC2=O)cc1
Nc1nc(N)c2nc(S[C@@H]3CCN(C4CC4)C3=O)[nH]c2n1
0.398817
CC(=O)NC1CCN(C(=O)c2cccc(Cc3cccc(F)c3)n2)CC1
Cn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)Nc1ccc(C(=O)O)cc1
0.480969
CCC(CC)C(=O)N1CCC[C@H](c2nc(-c3cccc(OC)c3)no2)C1
COc1ccc(N[C@H](C)C(=O)N(C)Cc2ccccc2)cc1OC
0.44623
Sc1nnc(-c2ccc(Cl)cc2)n1/N=C/c1ccc(Br)s1
Cc1nsc(N2CCN(C(=O)c3cccc(OC(C)C)n3)CC2)n1
0.461627
CC(C)CN(Cc1cnn(C)c1)C(=O)[C@H](O)c1ccc(C(F)(F)F)cc1
O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc(Cl)c2c(c1)OCO2
0.436716
CNc1cncc([C@@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)n1
C=CCNC(=O)c1cc(OCC(=O)N2CCOCC2)n(C)n1
0.513483
O[C@H](c1ccc(F)c(F)c1)C1CCCC1
Cn1cnnc1CN1CCC[C@@H](NS(=O)(=O)C2CC2)C1
0.246334
CC[C@@H](C)n1ncc(NC(=O)NCc2ccc(C(=O)OC)cc2)c1C1CC1
CCCN(CCC(N)=O)Cc1nc(O)c2ccc(Cl)cc2n1
0.445455
C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc2[nH]c(=S)oc2c1
COc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc3C2)c2ccccc2)cc1OC
0.555556
Cc1ccc(CNC(=O)CCCc2nc(-c3cccs3)no2)cc1
C[C@@H]1CCN(c2cnc(F)cn2)C[C@H]1CNC(=O)c1ccc2cc[nH]c2c1
0.470238
COC(=O)c1ccccc1NC(=O)c1cnc2n(c1=O)CCS2
Cc1ccc(NC(=O)CC(C)(C)C)cc1F
0.305656
CC(C)(C)OC(=O)N[C@@H](c1nc(C(C)(C)C)no1)[C@@H]1CCCO1
C=CC(=O)N(CC)CC(=O)Nc1cccc(C(=O)N2CCOCC2)c1C
0.450339
CNC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1
Cc1nc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)sc1C
0.302817
O=S(=O)(c1ccccc1)N(CCOc1ccccc1)C[C@@H]1CCCO1
Cc1ccccc1C(F)(F)CNc1ncnc2c1cnn2C
0.394737
C[C@@H](CS(C)(=O)=O)C(=O)NC1CCN(CCc2ccccc2)CC1
COc1cccc(-c2noc([C@H]3CCCN(C(=O)CC4CCCCC4)C3)n2)c1
0.360256
CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1ccccc1C
O=C(O)c1ccnc(-c2ccnc(N3CCc4c([nH]c5ccccc45)C3)n2)c1
0.655385
Cc1cc(CNC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)ccc1-c1ccccc1
Cc1oc(C(=O)NOCc2ccccc2)cc1S(=O)(=O)N1CCCC1
0.526744
Cn1nnc2cc(C(=O)N3C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]3C(F)(F)F)ccc21
O=S(=O)(Cc1ccc(Cl)cc1)NCCCc1ccc(Cl)cc1
0.292593
CC(C)(C)OC(=O)N1CCC(C[C@@H](N)C(=O)O)CC1
Cc1nnsc1C(=O)N[C@H](c1ccsc1)c1cccs1
0.253281
Cc1n[nH]c(C)c1S(=O)(=O)NCc1nc(N(C)C)nc(N2CCOCC2)n1
COc1ccc(S(=O)(=O)N2CC[C@@H](c3nc(C)no3)C2)c(C)c1
0.503409
COc1ccccc1Cc1cc(C)nc([C@H]2CCCN(C(=O)Cn3nc(C)ccc3=O)C2)c1
Cc1ocnc1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21
0.610703
Cc1cccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCC[C@@H](C)C3)c(=O)[nH]c12
CCOc1ccc(CNS(=O)(=O)c2ccc(OC)c(C)c2)cc1
0.42111
COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(Cl)cc1)CC3
c1cncc(-c2nc(N3CCc4ccccc4C3)c3ccccc3n2)c1
0.630786
CCNC(=O)CSc1nnc(CCN)n1-c1ccccc1F
CCc1ccc(-n2c(S)nnc2-c2ccncc2)cc1
0.538829
CN(C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)c3cccs3)CC2)c2ccccc21
COc1ccc(Nc2nc(N)nc(CN3CCCCCC3)n2)cc1
0.382872
CC[C@@H](C)NC(=O)CN1C(=O)CS/C1=C\C(=O)OC
Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC(=O)N(C)C)C3=O)nc(C)n1
0.463072
CC(C)(O)COc1ccc(CN2C[C@H](Oc3cccc(Cl)c3)[C@@H](O)C2)cc1
O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCC[C@@H](C(F)(F)F)C1
0.282127
C[C@@H]1C[C@H](C)CN(C(=O)NC2CCCCC2)C1
O=C(c1ccco1)N1CCN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1
0.228824
CS(=O)(=O)N1CCC[C@H](c2cccc(Br)n2)C1
CN(C)c1cc(/C(O)=N/CCCc2nncn2C)c2ccccc2n1
0.439766
CSc1ccc(CN(C)C(=O)c2ccc(Br)o2)cc1
CC(C)N1CCC(N2C[C@@H](O)[C@H](n3ccc4cc(C(N)=O)ccc43)C2)CC1
0.362069
Cn1c(CN2CCOCC2)nnc1C1CCN(C(=O)CNC(N)=O)CC1
Cc1ccsc1CCC(=O)N1[C@H]2CC[C@H]1CC(=CC1CC1)C2
0.399748
O=C(c1ccc(Cl)cn1)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1
C[C@H](OC(=O)c1ccc(-n2cnnn2)cc1)C(=O)N1CCCCCC1
0.43418
COc1nc(NC(=O)[C@@H]2C[C@H]2c2sccc2C)n[nH]1
Cc1cnc(C(=O)N2C[C@@H](CN3CCCC3)[C@@H](CO)C2)cn1
0.353011
C[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C1CC1
Cc1cc2cc(CNC(=O)c3ccc(C(F)(F)F)cc3)ccc2[nH]1
0.363376
O=c1/c(=C\c2cccc(F)c2)sc2nc(-c3ccc(F)cc3)nn12
Cc1cc(Cl)ccc1NC(=O)Cn1c(C)cc2ccccc21
0.495156
COc1ccccc1OCC(=O)N[C@@H]1CCOC[C@H]1OC
COc1cccc(F)c1[C@@H](C)NC(=O)N1CC(NC(=O)C2CC2)C1
0.396129
COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)c(OC)c1
O=C(NCCCN1CCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl
0.556725
O=C(NCCc1cccc(O)c1)N[C@H]1CCN(c2c(F)cccc2F)C1
CN(C)C(=O)c1cccc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)c1
0.436943
COc1cccc([C@@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)c1
O=C(CN1C[C@@H]2CNC[C@@]2(CO)C1)N1CCOCC1
0.350915
COCCNC(=O)Cc1ccc(NC(=O)c2cc(C3CC3)on2)cc1
CCc1ccc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)cc1
0.458886
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