p1
stringlengths 8
252
| p2
stringlengths 8
204
| similarity
float64 0.02
0.99
|
|---|---|---|
Cc1c2ccc(=O)cc-2oc(O)c1CCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 | CCCOc1ccc(Cl)cc1CO | 0.272727 |
O=S(=O)(c1ccc(F)cc1)N1CCS[C@@H]1c1ccccc1 | O=C(CSc1nc2ccccc2nc1-c1ccccc1)NC[C@H]1CCCO1 | 0.486577 |
CC[C@@](C)(CO)NC(=O)Nc1ccc(-c2nccn2C(F)F)cc1 | COc1cc2c(cc1-c1ccc(C(C)=O)cn1)OCO2 | 0.396364 |
CN1CCN(c2ncccc2C(=O)N2CCCCC2)C[C@@H]1C(=O)O | Cc1cc(C)c2sc(N3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)nc2c1 | 0.637634 |
C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc(-n2cncn2)c(F)c1 | Cc1c(Br)cc(/C=N/N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C2)cc1Br | 0.419198 |
Cn1cnc(C(=O)N2CCCC[C@@H]2CC(=O)O)c1 | CC[C@H](C)C[C@H](C)NC(=O)NC[C@H]1CN(C)CCN1C | 0.268331 |
Cc1ccc(C)c(S(=O)(=O)CCN2CCN(Cc3ccc(C#N)cc3)CC2)c1 | COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(C)c(C)c3)n2)cc1 | 0.409035 |
CC(C)(C)NC(=O)[C@H](C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 | C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 | 0.518519 |
CCc1c(C)nc(Nc2nc(C)c3cc4c(cc3n2)OCO4)[nH]c1=O | O=C(CCc1cccnc1)N1C[C@H]2CN(C(=O)C3CCOCC3)C[C@]2(CO)C1 | 0.409404 |
Cc1ccccc1C(=O)NCCCNc1ccc(Cl)cc1[N+](=O)[O-] | CCOc1ccc([C@H]2C[C@H](c3ccccc3)Nc3nc(N)nn32)cc1 | 0.463023 |
Cc1[nH]c(-c2cnn(-c3ccc(F)cc3)c2)nc1-c1ccccc1 | COc1ccc(CCNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)cc1OC | 0.505814 |
COc1ccc2[nH]cc(CCNC(=O)Nc3cccnc3)c2c1 | Cc1nn(C(C)C)c(C)c1S(=O)(=O)N[C@@H]1CCc2cn(C)nc2C1 | 0.506479 |
O=C(c1cn2cc(Cl)ccc2n1)N1CCc2nc(C3CC3)nn2CC1 | COCc1nc(NCc2cc[nH]n2)c2c(-c3ccccc3)csc2n1 | 0.661538 |
Cn1ccnc1[C@H](NC(=O)NCCOc1ccccc1F)c1cccc(F)c1 | CCOc1ccc(N2C[C@H](C(=O)NCc3ccccc3OC(C)C)CC2=O)cc1 | 0.472941 |
O=C1C[C@H](Sc2ncccn2)C(=O)N1c1ccc(F)c(F)c1 | CNC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O | 0.471278 |
COc1nn(Cc2nnc3n2CCCCC3)cc1[N+](=O)[O-] | COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCCCCC2)C1 | 0.542066 |
Cc1cc(C)c(C(=O)N(Cc2cccc(O)c2)C2CC2)c(=O)[nH]1 | COc1cc(C#N)ccc1OCC(=O)c1ccc(NC(N)=O)cc1 | 0.416465 |
NC(=O)[C@H](CNc1cc(Cl)nc(N)n1)Cc1ccc(F)cc1 | C[C@@H](Oc1ccccc1)C(=O)N1CCCN(C2CCC2)CC1 | 0.30073 |
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N1 | C[C@@H]1CCCC[C@]12NC(=O)N(C/C=C/c1ccccc1)C2=O | 0.556263 |
Cc1cccc([C@H](C)CNC(=O)Cc2ccccc2O)c1 | C[C@@]1(c2ccccc2)NC(=O)N(Cc2cc(-c3ccccc3)no2)C1=O | 0.35858 |
C[C@@H](CCc1ccc2c(c1)OCO2)OC(=O)c1cncc(C2CC2)c1 | CCOC(=O)c1ccc(NC(=S)Nc2ccccc2)c(C)c1 | 0.390625 |
CCN1C(=O)COc2cc3c(cc21)NC(=O)C[C@@H]3c1cccc2c1OCO2 | COc1cccc(NC(=O)Nc2cnn(CC3CC3)c2)c1 | 0.435016 |
COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2)n1Cc1ccco1 | CN(C)CCNC(=O)c1ccccc1F | 0.288965 |
C[C@H](O)c1ccccc1NC(=O)c1ccccc1 | COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(I)cc1 | 0.398876 |
COc1ccc([C@H](CNCc2cccc(NC(=O)c3ccccc3Cl)c2)N2CCOCC2)cc1 | COc1cccc(NC(=O)NCc2ccnc(N3CCCCC3)n2)c1 | 0.440344 |
COC(=O)c1ccc(NC(=O)CCc2nc(C(C)(C)C)no2)c(C)c1 | Cc1nc(CNC(=O)NCc2cccc(Br)c2)cs1 | 0.315291 |
COc1ccccc1Cn1nc(-c2cc3c(cc2OCC(=O)O)OCO3)cc1-c1cccc(F)c1 | CN1CCO[C@H](CNc2ccc(C(N)=O)cn2)C1 | 0.424837 |
CCOC(=O)C[N+]12CC[C@]34c5ccccc5N5C(=O)C[C@@H]6OCC=C(C1)[C@H](C[C@@H]32)[C@@H]6[C@H]54 | Cn1c(SCC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)nnc1C1CC1 | 0.716963 |
Cc1cc(C(=O)N2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)n(C)n1 | O=C1NC(=O)c2ccccc2/C1=C/c1cc2ccccc2[nH]c1=O | 0.534858 |
O[C@@H](CNC1(c2noc(C3CC3)n2)CCCC1)C(F)(F)F | COCc1ccccc1C(=O)N1CCC(NC(=O)c2ccncc2)CC1 | 0.37931 |
C=CCOc1ccc(Br)cc1C(=S)N1CCOCC1 | Cc1ccc(OCc2nnc(S)o2)c(-c2ccno2)c1 | 0.39555 |
COc1ccnc(CN2C(=O)CCc3ccccc32)c1OC | C[C@@H]1C[C@@H](C)CN(C(=O)CN2C(=O)NC(Cc3ccccc3)(Cc3ccccc3)C2=O)C1 | 0.54267 |
Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2C[C@@H]2CCCO2)cc1C | C[C@@H](CC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 | 0.364833 |
O=C(O)[C@@H]1CN(Cc2cccc3c2CCOC3)C[C@H]1C(F)(F)F | COC(=O)[C@H]1CC/C(=N\c2cccc(C(F)(F)F)c2)N1 | 0.431646 |
CC(=O)Nc1nc(CSc2ccccn2)cs1 | C=CC(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)C1 | 0.360195 |
CCc1ccccc1NC(=O)[C@@H](CC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O | Cc1cc2c(C)cc1CCc1ccc(c3c1OCCOCCOCCOCCOCCO3)CC2 | 0.427095 |
Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)Nc1ccn(C)n1 | Oc1ccc(Br)cc1/C=N/N=C\c1ccco1 | 0.330798 |
C[C@@H]1C[C@H](O)CN1C(=O)CC1(CC(=O)N2C[C@H](O)C[C@@H]2C)CCCCC1 | CC[C@@H]1CCCCN1c1cc(SCC(=O)NCCc2ccc(OC)c(OC)c2)ncn1 | 0.335561 |
CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(Br)cc1 | O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1C1CSCCSC1 | 0.395078 |
COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)c(Cl)c1OC | CCOC(=O)c1cc2sc(C)cc2n1CC(=O)N1CCCC1 | 0.695876 |
O=C(O)c1nn(-c2ccccc2)cc1CNC[C@H]1CCCOC1 | Cc1cc(C)c(C(=O)NCCCN2CCOCC2)c(C)c1 | 0.32166 |
COC(=O)C(C)(C)[C@@H](CC(=O)O)c1ccccc1 | COc1ccc(/C=C2\S[C](Nc3ccccc3F)NC2=O)c(C)c1 | 0.315653 |
Cc1cc(C(=O)NCc2cc(N(C)C)nc3ccccc23)on1 | c1csc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCO3)c1 | 0.546624 |
CC(C)CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CC[C@@H]2O1 | COc1ccc(F)cc1CNC[C@@H]1CC(=O)Nc2ccccc21 | 0.412186 |
O=C(NC[C@H](O)CN1CCNCC1)c1ccc2nc(-c3ccccc3)cn2c1 | Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NC[C@H]1CCOC1 | 0.512764 |
O=C(CC[C@H]1N=C(O)N(CCc2ccccc2)C1=O)NC1CCCCC1 | Cc1nc2nc3ccn(CCN(C)C)c(=O)c3c(-c3ccc(Cl)cc3)n2n1 | 0.489028 |
COc1cncc(CN2C[C@H](OC)C[C@@H]2c2ncc[nH]2)c1 | Cc1nnc2ccc(S(=O)(=O)N(Cc3cccc(F)c3)c3ccc(Cl)cc3)cn12 | 0.548872 |
C[C@@H](C(=O)NCc1nccc(C(F)F)n1)N1CCC(Cc2ccccc2)CC1 | Cc1ccc(Cl)cc1NCC(=O)NC1CCCC1 | 0.3379 |
CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2)Oc2ccc(Cl)cc21 | CCc1ccccc1NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 | 0.583422 |
CSc1cccc(CN(C)C(=O)NC[C@H](C)n2nc(C)cc2C)c1 | C[C@]1(C(N)=O)CCN(C(=O)NCc2cccc(C(F)(F)F)n2)C1 | 0.430412 |
Cc1cccc2ncc(C(=O)O)c(=N)n12 | CCn1nc(C(=O)Nc2onc3c2CCCC3)ccc1=O | 0.481081 |
CCCn1ncc(C(=O)N2C[C@H](NS(C)(=O)=O)[C@@H](C(C)C)C2)c1C | CCOC(=O)c1cccc(NC(=O)c2ccc(OCC)c(Cl)c2)c1C | 0.478595 |
CC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 | CCOc1nc2sc3c(c2c2ncnn12)CC(C)(C)OC3 | 0.488542 |
O=C(CC1CCN(Cc2ccccc2)CC1)N1CCC[C@@H](c2ncc[nH]2)C1 | Cc1c(S(=O)(=O)c2ccc(F)cc2)c(N)n(CC2CC2)c1C | 0.422991 |
C[C@@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NCc1cccc(C(F)(F)F)c1 | N#Cc1ncccc1-c1cccc(C(=O)N[C@H]2CN3CCC2CC3)c1 | 0.428571 |
COc1ccc(CC(=O)Nc2c3c(nn2-c2ccccc2)CS(=O)(=O)C3)cc1 | COc1cccc2c1OC[C@H](NC(=O)CCn1cnc3ccccc3c1=O)C2 | 0.675869 |
CN(C)c1ccnc(C(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)c1 | CC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)Cc1ccsc1 | 0.513423 |
Cc1cc(C)nc(-n2nc(C)c3c2C[C@H](c2ccc(Cl)cc2)CC3=O)n1 | CN(C)S(=O)(=O)N1CCCC[C@@H]1c1n[nH]cc1I | 0.632184 |
CC(=O)Nc1ccc([C@H](O)/C(=N\N(C)C)c2nc3ccc(Cl)cc3[nH]c2=O)cc1 | O=C(/C=C/c1c(Cl)cccc1Cl)c1cc2ccccc2oc1=O | 0.521452 |
Cc1c(NCC(=O)N2C[C@H](C)C[C@H](C)C2)cccc1N1CCCC1=O | CCOc1ccc(CCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC)cc1OCC | 0.433208 |
CCOCC(=O)N1C[C@@H](c2cn(C(C)C)cn2)[C@]2(CCN(Cc3csc(C)n3)C2=O)C1 | CCOC(=O)C1=C(CN2CCC[C@@H]2c2ccc(OC)cc2)NC(=O)N[C@@H]1c1ccco1 | 0.75272 |
COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)O | Cc1ccc(C(=O)N2CCc3ccc(NC(=O)[C@H]4CCCO4)cc3C2)cc1F | 0.382534 |
CCOC(=O)CN1CCC2(CC1)CN(Cc1ccccc1)C2=O | O=C1C[C@@H](c2cccc(Cl)c2)Cc2nc(Br)sc21 | 0.399293 |
CC1=C(C(=O)OCC(C)C)[C@H](c2ccncc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 | O=C(CCNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F)Nc1ccncc1 | 0.541126 |
COc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccnn2C)c2ncccc12 | CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN1CCN(CC(=O)NC2CC2)CC1 | 0.683249 |
c1ccc2c(c1)OC[C@H](c1nc3nccc(-c4ccc5c(c4)OCCCO5)n3n1)O2 | COc1cc([C@@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)ccc1OCC(N)=O | 0.639004 |
CC(C)c1cc(=O)n(CC(=O)N2CCCCC2)cn1 | CCOC(=O)N1CCN(C[C@@H](O)COc2ccccc2C(C)=O)CC1 | 0.349144 |
O=C(c1ccccc1)c1cc(Cl)ccc1N/C=C\c1nnnn1-c1ccc(F)cc1 | COc1ccc(-c2nc(CNC(=O)CCc3ccc(O)nn3)c(C)o2)cc1O | 0.522307 |
CC(C)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1ccccc1 | CN(C(=O)CC1CCSCC1)[C@H](C(=O)O)c1cccnc1 | 0.44802 |
CCCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C(=O)OCC)c1C | C[C@@H]1CN(c2ccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cn2)C[C@@H](C)O1 | 0.673554 |
Cc1cc(N[C@@H](C)Cc2cnccn2)nc(Nc2cccc(O)c2)n1 | CCN([C@H]1CCS(=O)(=O)C1)S(C)(=O)=O | 0.313878 |
Cc1ccccc1-n1cc(CN2C[C@H](CC(=O)O)C(C)(C)C2)cn1 | COCC(=O)N[C@H](C(=O)N[C@H]1CC=CCC1)C(C)C | 0.322715 |
Cc1ccc2nc(C(=O)N3CCCC[C@H]3CCN3CCOCC3)c(F)n2c1 | CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 | 0.607555 |
CCOc1ncccc1C(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C | O=C(COc1cccnc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1N1CCOCC1 | 0.586466 |
CC[C@@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])c1noc(C)n1 | Cc1ccc(/C=C/C(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OC(C)C)cc1 | 0.615628 |
COc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)c3ccc(Cl)cc3)c(O)cc2C)cc1 | CCOc1c(Cl)cc(/C=C/C(=O)Nc2ccc(NC(N)=O)c(OC)c2)cc1OC | 0.5 |
CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1cc(OC)cc(OC)c1 | COc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3ccccc3O)C[C@H]21 | 0.546939 |
CCS(=O)(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21 | O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(Cl)ccc1Cl | 0.45039 |
Cc1nc(O)cc([C@@H]2COCCN2Cc2cccc3[nH]ccc23)n1 | N#Cc1nccnc1N1CCC[C@H](Nc2ccccc2)C1 | 0.472789 |
CSc1ncc(C(=O)O)c(Nc2ccc(C)cc2)n1 | O=C(NCCN1CCOCC1)[C@@H]1CCc2[nH]nc(-c3ccccc3)c2C1 | 0.419839 |
Cc1ccc2ccccc2c1[C@@H](O)c1ccc(N)cc1 | CCN(CC)C(=O)NC[C@@H]1CCCN1CC | 0.159393 |
Cc1nc(-c2cccc(-c3cccc(-c4cc[nH]n4)c3)c2)no1 | CN(Cc1cnn(-c2ccccc2)c1)C(=O)COc1ccccc1 | 0.343096 |
COCCN1C(=O)CCC12CCN(C(=O)C1(F)CCC1)CC2 | O=C(/C=C/c1ccco1)N1CC[C@@H](N2C(=O)COC2=O)C1 | 0.443073 |
CCN(CC(=O)Nc1cccc(OC)c1)CC(=O)Nc1cccc(C(C)=O)c1 | CC(=O)N[C@H]1[C@H](Oc2ccc(Cl)c3cccnc23)O[C@H](CO)[C@@H](O)[C@@H]1O | 0.363434 |
OC[C@@H]1CCCN(c2ncnc3sccc23)C1 | Cc1ccc(C)c(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c1 | 0.489314 |
CCN(CC)[P@@]1(=O)[C@@H]2C=C(C)[C@@H]1[C@@H]1C(C)=C[P@@](=O)(N(CC)CC)[C@H]12 | COC[C@H]1CN(S(C)(=O)=O)CC12CCN(C(=O)c1occc1C)CC2 | 0.61554 |
O=C(c1cscn1)N1C[C@H]2CN(Cc3ccc(Cl)cc3)[C@H]2C1 | CC(C)[C@@H](NC(=O)Cc1csc(-n2cccc2)n1)c1nc2ccccc2[nH]1 | 0.492991 |
C[C@@H]1C(=O)Nc2ccccc2CN1C(=O)Cn1cnc2ccccc21 | CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCC3 | 0.625523 |
C[C@H](NC(=O)NC[C@@H]1CCCc2ccccc21)c1nncn1C | COCCNCC(=O)N1CCCC[C@@H]1Cn1nc(C)nc1C | 0.465286 |
Cc1c(Cl)cccc1NC(=O)c1nnn(CC(=O)Nc2ccc3c(c2)OCCO3)c1C | O=C(Cn1ccnc1)N1CCN(CCOc2ccc(Cl)cc2)CC1 | 0.386604 |
O=C([C@@H]1CCCO1)N(Cc1ccoc1)C1CCCCC1 | CC(C)Nc1ncccc1C(=O)N1CCC[C@H](n2cncn2)C1 | 0.470868 |
CC(C)CN(C(=O)CSc1nnc(COc2ccccc2F)n1N)[C@@H]1CCS(=O)(=O)C1 | CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)Cc2cccc(OC)c2)c1 | 0.539488 |
O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccccc1C(=O)NCC(F)(F)F | O=C(NC(=S)Nc1cccc2cccnc12)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 | 0.528711 |
Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)c1cccs1 | Cc1oc(-c2ccccc2)nc1CSc1nnc(-c2ccc(OC(F)F)cc2)n1N | 0.596417 |
CCN(C)C(=O)c1cccc(C(=O)NC[C@@](O)(Cc2ccccc2)c2ccccc2)c1 | O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2c[nH]c3ncnc(O)c23)c1 | 0.42285 |
COC(=O)[C@@H](N[C@H]1CCc2ccc(F)cc21)c1ccccc1Cl | Cc1ccc2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@@H](C(=O)O)[C@H]31)O2 | 0.508306 |
CC(C)NC(=O)CNC(=O)[C@H](c1cccc(F)c1)N(C)C | C[C@H](C(=O)NCc1ccncc1)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O | 0.415638 |
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)c1ccccc1OC | Cc1ccc(CN2CCN(Cc3ccccc3F)C[C@@H]2CCO)o1 | 0.458333 |
NC(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CCC3)cc1 | COC(=O)CCC(=O)N1CCC2(CCc3c(O)nc(C4CC4)nc32)CC1 | 0.690428 |
CCN(C)[C@H]1COC2(CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)C1 | CCc1noc(C)c1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 | 0.465443 |
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