p1
stringlengths 8
252
| p2
stringlengths 8
204
| similarity
float64 0.02
0.99
|
|---|---|---|
CC(=O)Nc1ccccc1OCC(=O)N[C@@H]1CCCC[C@@H]1C | Cc1nccn1-c1ccccc1CNC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 | 0.363636 |
CCN(CC)c1ccc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cn1 | O=C1[C@@H]2[C@H](C(=O)N1c1ccn(Cc3c(F)cccc3Cl)n1)[C@H]1CC[C@@H]2O1 | 0.541532 |
C=CCOc1ccc([C@@H]2/C(=C(\O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCCN(C)C)cc1 | CC(C)(C)CC(=O)NCc1nc(-c2cc[nH]c(=O)c2)no1 | 0.496939 |
O=C(c1cnccn1)N1CCCC2(CCN(Cc3ccsc3)CC2)C1 | c1cnnc(N2CCC[C@H](NCc3ccccc3N3CCOCC3)C2)c1 | 0.423707 |
CCCCC[C@H]1c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(C)=O | CN(CC(=O)Nc1ccccc1Cl)C(=O)CNc1ccc(Br)cc1F | 0.432086 |
O[C@@H]1CCCN(c2ccnc(N=c3nc[nH][nH]3)n2)C1 | O=C([C@@H]1CCc2ccccc21)N1[C@@H]2CCC[C@H]1C[C@@H](O)C2 | 0.378412 |
C[C@@H]1Cc2cc(NC(=O)c3nc4ccccn4c3F)ccc2O1 | C#Cc1cccc(N(Cc2ccco2)C(=O)Cn2ncn(C)c2=O)c1 | 0.598712 |
CCOc1ccc2c(c1)s/c(=N/N=C\C=C\c1ccccc1)n2C | Cc1noc([C@H]2CCCN(C(O)=Nc3csc(-c4ccccn4)n3)C2)n1 | 0.533475 |
Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)NC3CCCCC3)CC2)c1 | CCN(CC)C(=O)N1CCC(C(=O)Nc2nc3c(C)cccc3s2)CC1 | 0.496429 |
CC[C@H](COC)NC(=O)Nc1ccccc1OCC(F)F | CCC[C@H](C)N1CC2(CCN(C(=O)c3ccc(C)c(C)c3)CC2)OC1=O | 0.370988 |
Cc1ccc(NCCCNC(=O)[C@H](C)NS(C)(=O)=O)nc1 | CC1=C(C(=O)NCCc2noc(C(C)C)n2)[C@@H](c2cccnc2)NC(=O)N1 | 0.402951 |
C[C@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)N(Cc1ccccc1)Cc1ccccc1 | COc1ccc(-c2cc(=NC(=O)c3nnc4nc(C)ccn34)[nH][nH]2)c(OC)c1 | 0.578209 |
O=C(OCC1CCN(CC(F)(F)F)CC1)[C@H]1C[C@H]1c1ccc(F)cc1 | O=C(Nc1ccncc1F)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 | 0.43083 |
CON(C(=O)c1cn(CC(=O)O)nn1)[C@@H](C)c1ccccc1C | CCc1nc(C)c(C(=O)N[C@@H]2CCOC2)o1 | 0.474403 |
Cc1oc(-c2ccco2)nc1CC(=O)N[C@@H](C(=O)O)C(C)C | CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](C)C1 | 0.393152 |
O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 | O=C(c1ccccc1)N1CCN(c2ccc(Cl)cc2-n2cccc2)CC1 | 0.521437 |
C[C@@H](OC(=O)c1ccc(CN2CCCCC2)cc1)[C@H]1CCOC1 | Cc1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O | 0.414525 |
CC[C@@H](CO)NS(=O)(=O)c1cc(C(C)C)c(C)cc1OC | Cn1cc(C(=O)OCc2cc3c(cc2Br)OCCO3)cn1 | 0.468828 |
COc1ccc2c(c1)OCC[C@@H]2NC(=O)C(=O)O | COCC1(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CCNCC1 | 0.393185 |
CCOC(=O)c1ccccc1NC(=O)Cn1c(CN2CCC(C)CC2)nc2sc(C)c(C)c2c1=O | Cn1c(=O)n(C)c2cc(NC(=O)CN(c3cc(Cl)c(Cl)cc3Cl)S(C)(=O)=O)ccc21 | 0.732802 |
C[C@@H](CN1CCCC1=O)NC(=O)Cc1noc2ccccc12 | O=C(NCCc1ccccc1)[C@@H]1CCCN(C2CCN(C(=O)c3ccco3)CC2)C1 | 0.46224 |
O=c1cc(CN2CCC[C@@H](n3cccc3)C2)[nH]c2ccnn12 | NC(=O)CN1CCC(NC(=O)Nc2ccnn2Cc2cccc(F)c2)CC1 | 0.477221 |
Oc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 | CCNC(=O)NC(=O)[C@H](C)N1CC[C@H]1c1ccc(Cl)cc1 | 0.478587 |
COc1cc(C)c(S(=O)(=O)NCCCc2ccc(Cl)cc2)cc1C | Cc1cc([C@H]2CCCN(c3ccnc(C)n3)C2)ccn1 | 0.402228 |
CC(C)(C)c1nc2ncccn2c1-c1cccc(CN2CCOCC2)c1 | COc1ccccc1NC(=O)COC(=O)/C=C/c1ccccc1 | 0.364802 |
CCc1nc2cc(C(=O)NCCOC)ccc2n1C | Cc1cc(CC(=O)N[C@@H](C)CC(=O)c2cccs2)n[nH]1 | 0.339695 |
CCCCn1cnc2c1c(=O)n(CC(=O)N(C)[C@@H]1CCCc3ccccc31)c(=O)n2Cc1ccccc1 | CSc1nnc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)s1 | 0.536188 |
CC1(C)[C@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1 | Cc1ccc2nc(-c3cccnc3SCC(=O)N3C[C@H](C)C[C@H](C)C3)[nH]c2c1 | 0.398765 |
COc1ccccc1-c1cccc(CC2(C(=O)NC[C@H]3CCCN(C)C3)CCOCC2)c1 | CCCn1ncc(C(=O)N2CCOC[C@H]2CC(=O)N2CCSCC2)c1C | 0.527559 |
CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2CCOCC2)cc1 | NS(=O)(=O)c1ccc(CNC(=O)CNC(=O)N2CCN(c3ccccc3)CC2)cc1 | 0.355837 |
COC[C@@H]1c2c(cnn2CC2CC2)CCN1C(=O)Cc1ccsc1 | O=C(O)C[C@@H]1CCN(C(=O)C2CCCC2)C[C@@H]1CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 | 0.566596 |
CCN(Cc1noc(C2CCC2)n1)C(=O)c1cccc(-c2cncnc2)c1 | Cc1cc2c(o1)C[C@H](C(F)F)C[C@H]2O | 0.445993 |
CCCCOP(=O)(OCCCC)O/C(C)=C/C(=O)N1CCOCC1 | Cc1cccc(NC2CCN(C(=O)COCc3ccccc3)CC2)c1 | 0.311337 |
CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O | CC(C)N(C(=O)Oc1ccc(F)c(F)c1C(=O)O)C(C)C | 0.434884 |
O=C(COc1c(-c2ccc(Cl)cc2)oc2ccccc2c1=O)NC[C@@H]1CCCO1 | Cc1ncsc1CN(Cc1ccccn1)C(C)(C)CO | 0.451869 |
O=C1CC2(CCCCC2)C(=O)N1Cc1ccc(-c2ccccc2)cc1 | Cc1ccc(S(=O)(=O)OCOS(=O)(=O)c2ccc(C)cc2)cc1 | 0.249597 |
Cc1cc(NC(=O)NCc2ccsc2)n(C)n1 | O=C(NC1CC1)c1cccc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1 | 0.353403 |
Cn1ccnc1[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(C#N)cc1)c1ccccc1F | Cc1ccccc1CN1CCN(C(=O)Cn2cnc3c(cnn3C)c2=O)CC1 | 0.559915 |
O=C(CNC(=O)N1CCN(c2cccc(Cl)c2)CC1)NC1CCCC1 | O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 | 0.394619 |
CCOC(=O)c1ccc(OCc2noc(-c3ccco3)n2)cc1 | O[C@@H]1CCN(Cc2cc(-c3cccs3)cs2)C1 | 0.387879 |
CCN(C)CC(=O)N1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2 | COc1ccccc1CN(C)[C@@H](C)c1ccc(F)cc1 | 0.375594 |
O=C(O)CCC(=O)Nc1ccc2c([C@H](C(=O)O)N3CCSCC3)c[nH]c2c1 | CC(C)(CNC(=O)CCc1cc(F)ccc1F)C(N)=O | 0.342649 |
CCCc1noc(CCC(=O)N2CCc3ccccc3C2)n1 | Cc1ccc(C2CC2)c(C(=O)Nc2nnc(C)s2)c1 | 0.47141 |
Cc1noc(C2CN(C(=O)c3cc([C@@H]4CCCN4C)ccn3)C2)n1 | OCCSc1sc(=S)sc1SCCO | 0.208279 |
Cc1ccccc1-c1ccccc1CC1(C(N)=O)CCN(C(=O)C(C)(C)C)CC1 | O=C(NCCCN1CCCCC1)N[C@H]1CCOC2(CCCCC2)C1 | 0.343109 |
COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccco1 | Cc1ccc(N2C[C@H](C(=O)Oc3c(C)cccc3C)CC2=O)cc1C | 0.439024 |
C[C@H]1CN(Cc2cc(-c3cccs3)on2)CCO1 | CC(C)CNC(=O)CN1CCN(c2cccc(Cl)c2)CC1 | 0.283498 |
CCc1[nH]c(C(=O)NCCc2cnn(C)c2)c(C)c1C(=O)OC | CCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(OC)cc3)nc21 | 0.619543 |
NC(=S)c1ncn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c1N | Cn1nc2c(c1-c1ccccc1)CCN(CC[C@@H]1COCCO1)CC2 | 0.623266 |
CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C)cc2C)C1=O | CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)C2=O)cc1 | 0.681818 |
COCC(=O)Nc1ccc2c(c1)C1(CCOCC1)C(=O)N2CC(C)C | CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C)cc1 | 0.463496 |
CCCCN(C)Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c(=O)[nH]1 | COc1ccccc1CN1C(=O)NC(=O)C1=O | 0.429114 |
COc1ccc(Cc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1OC | CC(C)(C)[C@H]1CCc2sc(C(=O)N3CCC[C@H](C(=O)Nc4nncs4)C3)cc2C1 | 0.571723 |
Cc1ccc(-c2nnc(NC(=O)Cn3nc(C)cc3C)s2)cc1 | CCCc1nnc(S/C(=C\c2ccc(OC)c(OC)c2)C(=O)O)[nH]1 | 0.464923 |
COc1cccc(NC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)c1 | COc1ccc([C@@H]2[C@@H](C#N)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 | 0.578059 |
O=[N+]([O-])c1c(Nc2ccccn2)ncnc1Nc1ccccn1 | CCOC(=O)CSc1nnc(CNC(=O)c2ccc(OC)cc2)n1-c1ccc(C(F)(F)F)cc1 | 0.405221 |
COc1ccc2nnc(CCC(=O)NC3CCCCCCC3)n2n1 | Cn1ncc(C(=O)Nc2cccc([C@H]3CCCC(=O)N3)c2)c1Cc1ccccc1 | 0.534783 |
Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 | O=C(CSc1nnc2ccccn12)Nc1ccccc1[N+](=O)[O-] | 0.555672 |
COCCN1CCN(Cc2nc(NC[C@@H]3CCCO3)c3ccc(Cl)cc3n2)CC1 | Cc1ccc(NC(=S)NC2CCCCC2)nc1 | 0.346397 |
C[C@@H]1CCc2c(sc(NC(=O)c3cc(=O)c4ccccc4o3)c2C(N)=O)C1 | CC1(C)C[C@H]1CCC(=O)N[C@@]1(c2nn[nH]n2)CCSC1 | 0.536788 |
Cc1noc2ncnc(NC[C@H](CO)Cc3ccsc3)c12 | O=C(Cn1c(=S)[nH]c2ccccc2c1=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 | 0.599591 |
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)cn3)c2C)C1=O | C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCC3(CC2)OCCO3)C1 | 0.322404 |
Cc1cc(C(=O)O)cc(-c2cnn(C)c2O)n1 | COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C(=O)NC(C)(C)C)c1ccc(O)cc1 | 0.584677 |
CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nc(C)cc(C)n2)c1C | COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)c(F)c1 | 0.62115 |
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)Nc2ccccc2C#N)cc1 | COc1ccc(-c2csc3c(=O)n(CC(=O)NCc4ccco4)cnc23)cc1 | 0.503178 |
CC[C@@H]1CO[C@]2(CCN(C(=O)c3cccn(C)c3=O)C2)C1 | CC(C)[C@H](Cn1ccnc1)NC(=O)c1ccc(-n2cnnc2)cc1 | 0.464371 |
C[C@@H](OC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21)C(=O)c1ccc(F)cc1 | COCCN(C)C1CCN(c2cccc(F)c2)CC1 | 0.376904 |
CC(C)[C@@H](C)SCC(=O)NC(=O)NC1CC1 | O=C(O)[C@@H]1CCCN(C(=O)c2cccc3[nH]ccc23)C1 | 0.217778 |
CCc1nc(O)c(C(=O)NC[C@H]2CC[C@H](c3n[nH]cc3-c3ccncc3C)CC2)cc1C | C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)CCCc1nc(C(C)(C)C)no1 | 0.680785 |
COc1ccc(N(CCCC(=O)NCCSc2ccccc2)S(C)(=O)=O)cc1Cl | CCC(=O)[C@H]1CCCN(C(=O)C[C@]2(c3ccccc3Cl)CC(=O)N(C)C2=O)C1 | 0.485747 |
COCC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)CCC2 | COCC(=O)NC[C@H]1C[C@]12CCc1ccccc12 | 0.498361 |
COc1cc(CO[C@H]2CN(Cc3cccc4nccnc34)CC(=O)N(C(C)C)C2)cc(OC)c1 | CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=O)[nH]c(=O)c1[C@H]2c1ccncc1 | 0.631685 |
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC(=O)CSc3nnc(N)s3)cc21 | COCc1cccc(NC(=O)c2ccc(CN3CCOCC3)cc2)c1 | 0.375144 |
CCS(=O)(=O)N1CCC(C(=O)N2CCCC[C@@H]2c2cc3nc(C)c(C)c(O)n3n2)CC1 | Cc1ccn2cnc(C(=O)NCc3c[nH]nc3[C@H]3CCNC3)c2c1 | 0.710634 |
O=[S@@](Cc1noc2c1COCC2)c1cccc(C(F)(F)F)c1 | O=C(Nc1nnc(CC2CCCC2)o1)c1cccnc1 | 0.462253 |
Cc1cccc(NC(=O)CCC2CCN(S(=O)(=O)N(C)C)CC2)c1 | CCOc1ccc(CN(C)C(=O)C(=O)Nc2ccc(Cl)cc2C)cc1 | 0.391239 |
Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(N4CCCC4)c(C)c3)C2=O)cc1 | c1cc2c(s1)CN(CC[C@H]1CCNC1)CC2 | 0.359865 |
O=[N+]([O-])c1cccc(NS(=O)(=O)c2cccc3cncc(Br)c23)c1 | CCCc1noc(C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)n1 | 0.459394 |
O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccnc1)c1ccc2c(c1)OCCO2 | C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)C1=C(C)OCCO1 | 0.701053 |
CCN(C/C=C/c1ccccc1)CCN(C)C | CCOC(=O)C1=C(C)N(c2ccccc2)C(C)=C(C(=O)OCC)C1c1ccc(OC)cc1 | 0.158768 |
Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2cc(S(C)(=O)=O)ccc21 | CC(C)c1noc(N2CC[C@@H](C(=O)N(C)C)C2)n1 | 0.482046 |
Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(CCN2CCOCC2=O)cs1 | CSc1ccc(S(=O)(=O)NCCOc2cc(C)ccc2C)cc1C(=O)N1CCOCC1 | 0.58287 |
CCC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC(C)C | CC(=O)N[C@H](C(=O)OCC(=O)NCc1ccc2c(c1)OCO2)C(C)C | 0.402032 |
Cc1n[nH]c(SCCNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)n1 | COCCn1nnc([C@H]2CN(CC(=O)N(C)C)CCO2)n1 | 0.400731 |
COc1ccccc1N1CC[C@H](N(C)Cc2ccc([S@](C)=O)cc2)C1=O | c1cncc(-c2noc(NCc3cccs3)n2)c1 | 0.422093 |
C[C@]12OC(=O)C(C(N)=O)=C1C=C(c1ccccc1)C[C@@H]2c1ccccc1 | C#CCOC(=O)c1cccc(OCc2cccc(F)c2)c1 | 0.372043 |
CC[C@H](C)CC(=O)Oc1ccc2ccnc(O)c2c1 | O=C1[C@@H]2[C@H](ON(c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccccc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 | 0.375764 |
COc1ccccc1Nc1cc(C)c2ccccc2n1 | Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2cccs2)c1C | 0.448884 |
COc1cc([N+](=O)[O-])ccc1OC1COC1 | CC(=O)Nc1cc(NC(=O)c2ccc[nH]c2=O)ccc1F | 0.272222 |
CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]1[C@@H]1CCCN12 | CCN(C(=O)NCCc1c[nH]c2c(C)cccc12)[C@@H](C)CN(C)C | 0.529762 |
Fc1ccc2c(N3CC(n4nccn4)C3)ncnc2c1 | Cn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCc1nc2ccccc2c(=O)[nH]1 | 0.545354 |
Cc1ccc(CN2C[C@H]3CN(C(=O)Cc4cccnc4)C[C@]3(CN(C)C)C2)o1 | COc1ccc(N(C)C(=O)C[C@@H](O)c2ccc(Cl)cc2)cc1F | 0.402036 |
Cn1cc([C@H](NC(=O)C2(c3ccc(Cl)cc3)CC2)C2CC(O)C2)cn1 | C[C@@H]1Cc2c(C(=O)N3CCC(C(C)(F)F)CC3)n[nH]c2[C@H](C)O1 | 0.566058 |
CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1 | C[C@@H](C(=O)NC[C@H](O)C1CC1)c1ccccc1 | 0.319512 |
COC(=O)c1ccc(C(=O)OC)c(N/C=C/C(=O)c2ccc(Br)cc2)c1 | Cc1nc(-c2cccs2)c(CCC(=O)N2CCN(c3ccccn3)CC2)s1 | 0.43757 |
CC(=O)N1CCc2nc(C3CCN(C)CC3)nc(N(C)CCCc3ccccc3)c2C1 | COc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)Nc2ccc(Cl)cc2)cc1Br | 0.703476 |
CC(=O)NCCNC(=O)Cc1c(F)cccc1Cl | O=C(O)C[C@@H]1S/C(=N/N=C/c2ccc(O)c(O)c2)NC1=O | 0.337607 |
CCC(=O)c1ccc(OCC(=O)Nc2cccc(Cn3ccnc3)c2)cc1 | CN[C@H]1CCCN(c2ncc(F)cn2)C1 | 0.287879 |
CCc1nn(C)c(CC)c1CC(=O)N1CCC[C@](O)(CC(=O)NC)C1 | Cc1cc(C)n(C[C@H]2CCCN2C(=O)[C@@H]2COc3ccccc3O2)n1 | 0.597049 |
Cc1cccc(-n2nc(SCC(=O)NC(C)(C)C)sc2=S)c1 | CCOC(=O)C1=NN(c2cccc(C)c2)[C@]2(S1)SC(C(=O)OC)=C(C)N2c1ccccc1 | 0.587711 |
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