p1
stringlengths 8
252
| p2
stringlengths 8
204
| similarity
float64 0.02
0.99
|
|---|---|---|
Cn1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)nn1 | COc1ccc(-c2ncc(C(=O)NCc3ccco3)c(C)n2)cc1 | 0.376159 |
CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 | CN(C)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc2c(F)cccc2s1 | 0.504803 |
Cc1oc(-c2cccc(Br)c2)nc1CSc1nc2c(=O)[nH]cnc2n1C | C[C@H](CN(C)C)CN1c2ccccc2Sc2ccccc21 | 0.411447 |
Nc1ccc2cc(-n3nnc4ccccc43)c(=O)oc2c1 | O=C(NCC(=O)N1CCOCC1)c1ccc(=O)[nH]c1 | 0.377934 |
CCS(=O)(=O)N1CCC(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)CC1 | CN(CC(=O)Nc1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 | 0.481777 |
COC(=O)CN(C(=O)c1cc(Cl)ccc1F)C(C)C | Nc1c(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc2n1-c1ccc(Cl)cc1 | 0.460568 |
O=S(=O)(Nc1cnc(Cl)c(Br)c1)c1cccc2ccccc12 | Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O | 0.474344 |
CN(C)C(=O)CCN1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 | COc1cccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)c1 | 0.377384 |
CCN(CC)c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1 | CN1CCN(CCCN(C)C(=O)OC(C)(C)C)CC1 | 0.179104 |
COc1ccc(/C=N/Nc2nc3ccccc3n2C)cc1OC | C[C@@H](O)c1ccc(CCNC(=O)c2noc3c2CCCC3)s1 | 0.447126 |
CN(C[C@H](O)CN1CCCC[C@H]1CNC(=O)CCN)C1CC1 | CCc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2CCCC2)cc1 | 0.282443 |
O=C(c1ccc(Cl)cc1N1CCCC1=O)N1CCC(C(=O)N2CCCCCC2)CC1 | CNc1ncccc1C(=O)N1CCC[C@](COc2ccccc2)(OC)C1 | 0.596087 |
COC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C | CC(C)(C)OC(=O)N1CC[C@@H]2O[C@@H]3c4cc(O)ccc4OC(C)(C)[C@H]3C[C@H]21 | 0.592473 |
C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1n1ccnc1 | COC1CCC(CC(=O)NC2(C(=O)O)Cc3ccccc3C2)CC1 | 0.444444 |
CCCCOc1ccc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)cc1OC | O=C(NC1CC1)[C@@H]1CCCN(C(=O)CCc2cccs2)C1 | 0.355746 |
O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc2c(c1)OCO2 | O=C(C[C@H](c1ccccc1)c1cc(Cl)ccc1O)N1CCN(Cc2ccccc2)CC1 | 0.497429 |
C[C@@H]1CN(S(=O)(=O)NCC23CC4CC(CC(C4)C2)C3)C[C@H](C)O1 | COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n2[C@H]1/C=C/c1ccccc1 | 0.358393 |
Cc1c(Br)cnc(NC(=S)NC2CCCCC2)c1Cl | CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(Cc2c(C)nn(C(C)C)c2C)C1 | 0.473456 |
CC(=O)N1CCC[C@@H]1c1nnc2n1CCN(C(=O)CCC1CCCC1)CC2 | CCOc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)COC3)cc1 | 0.565539 |
C[C@H](O)[C@@H]1CCN(C(=O)N[C@@H](Cc2nccn2C)c2ccccc2)C1 | COc1cccc(CN2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)c1 | 0.450798 |
O=C(NCc1cc(-c2ccccc2)n[nH]1)[C@H]1C=CCN1 | c1cnnc(NC[C@@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)c1 | 0.400763 |
Cc1ccccc1CNC(=O)[C@@H](C)N1CCC(Oc2ccncc2C)CC1 | CN(Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)c2ccc3[nH]nnc3c2)CC1 | 0.467974 |
CC[C@H](Oc1ccc(F)cc1)C(=O)NCCc1ccc(OC)cc1 | COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H]2c2cccc(F)c2)c1 | 0.385256 |
O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)c1ccc(Cn2cncn2)cc1 | CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)N2CCOCC2)cc1 | 0.490521 |
COc1cccc(-c2noc([C@@H](C)NC(=O)c3cccnc3C)n2)c1 | COc1ccc(N2CCN(C(=O)c3ccc(OCc4ccccc4Cl)cc3)CC2)cc1 | 0.48157 |
C[C@@H](c1ccc(Cl)cc1)[S@](=O)Cc1noc(-c2ccccc2)n1 | CCSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 | 0.419506 |
COCCN(C(=O)CCC(=O)Nc1ccccn1)[C@@H](C(=O)NCc1ccccc1)c1ccc(F)cc1 | O=C(NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccco1 | 0.398585 |
O=C(Cn1cccn1)N(Cc1cccnc1)C[C@@H]1CCCN(C2CCCCC2)C1 | COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2)c2ccc(C)cc2)cc1 | 0.452184 |
O=C(CN1CCc2sccc2[C@H]1c1ccccc1)Nc1ccc2c(c1)OCO2 | Clc1nc2ccc3ccccc3c2s1 | 0.348276 |
CC1CCN(C(=O)CSc2nc3ccccc3n2CC(=O)NC2CC2)CC1 | CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccc(C(C)C)cc1 | 0.455056 |
O=C(O)C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1[N+](=O)[O-] | Cc1cccc(C)c1OCCCN(C)C(=O)C(=O)c1cccn1C | 0.519466 |
O=C(NC1CCN(Cc2ccncc2)CC1)c1cccc(-c2ccccc2)c1 | CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@H]1CCc2ccccc21 | 0.464602 |
C1CCc2sc([C@H]3CCCN(Cc4nnc(C5CC5)n4C4CC4)C3)nc2C1 | CNS(=O)(=O)Cc1ccccc1CNC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 | 0.429967 |
Cc1cc(N2CCCC[C@@H]2C)nc2cc(Cl)ccc12 | C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)C1=NN(C)C(=O)CC1 | 0.564516 |
CCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(F)cc3)ccc2s1 | COc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1C | 0.518436 |
Cc1c(C(=O)N2CCN(C(=O)c3ccnc(N4CC[C@H](C)C4)c3)CC2)sc2ccccc12 | O=C(O)c1cc(NS(=O)(=O)c2ccc3ccccc3c2)cc(C(=O)O)c1 | 0.428731 |
COc1cncc([C@@H](NC(=O)c2nc(C(C)C)cs2)[C@H]2C[C@H](O)C2)c1 | COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc(C)c1)c1ccc(F)cc1 | 0.582809 |
O=C(Nc1nc(-c2ccccc2)ns1)c1ccc2c(c1)OCO2 | CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCC(=O)O | 0.447799 |
COc1cccc(/C=N/c2ccc([N+](=O)[O-])cc2)c1O | COc1cccc(-n2c(/C=C/c3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)c1 | 0.407451 |
Cc1cc(N2CCN(C3CCCCC3)CC2)n2nc(-c3ccccc3)c(C)c2n1 | O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCN(Cc2nc3ccccc3s2)CC1 | 0.677222 |
COc1ccc(C(=O)Nc2cccc3cccnc23)cc1S(=O)(=O)N1CCCC[C@@H]1C | C[C@H](Sc1nc2ccccc2c(=O)n1C)C(=O)c1c[nH]c2ccccc12 | 0.643979 |
O=C1NC[C@H]2CN(C[C@H]3CC=CCC3)CCN2C1=O | Cc1cc(O)nc(SCC(=O)c2ccc([C@@H]3CC3(Cl)Cl)cc2)n1 | 0.268398 |
CN(CC(=O)NCc1ccccc1F)Cc1ccc2ccccc2c1 | O=S(=O)(NCC[C@H]1CCCO1)c1ccc2c(c1)CCC2 | 0.274962 |
CC(C)(O)CCc1ccc(C(=O)N2CCC[C@@H](CN3CCCC3)C2)cc1 | C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1ncc(-c2ccc(F)cc2)o1 | 0.420177 |
O=C(NC1COC1)c1cccc(-c2nnco2)c1 | c1cncc(-c2nnc(-c3cccnc3)nn2)c1 | 0.254209 |
O=C1CN(C(=O)c2cc3ccccc3c(=O)o2)c2cccc(F)c2N1 | COc1cccc(-c2nc(C(=O)N3CCNCC3)c(C)[nH]2)c1 | 0.549676 |
CC1(C)NC(=O)N(CCCSc2ncc(-c3ccccc3)n2C2CC2)C1=O | COc1ccc(N2CCN(C3=N[C@H](c4ccccc4OC)n4c(nc(C)cc4=O)N3)CC2)cc1 | 0.69798 |
O=C(Nc1ccc2c(c1)OCCO2)c1n[nH]c2ccccc12 | Cc1ccc(F)c(-c2ccc3c(c2)C(=O)NC3)c1F | 0.414251 |
O=S(=O)(C1CC1)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 | Cc1cc(C)cc(/N=C2\S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2C[C@@H]2CCCO2)c1 | 0.643655 |
COc1ccc(S(=O)(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1NC(C)=O | COc1ccc(N2C[C@@H](C)N(C(=O)c3cnn(C)c3)CC2=O)cc1 | 0.511574 |
COc1ccc(C(=O)N2CCN(c3nc(C)ncc3Cl)CC2)cc1 | Cc1ccc(C)c(N2N=C(C(=O)N[C@@H]3CCC[C@H]3O)CCC2=O)c1 | 0.497213 |
COc1cc(CC(=O)O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OC | Cc1nc2c(c(NCCc3[nH]nc4c3CCCC4)n1)CCNCC2 | 0.459035 |
O=C(CSc1ncnc2ccccc12)N1CCCCCC1 | CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 | 0.467775 |
COC(=O)c1cn([C@H]2CCCN(c3ccc(C#N)nc3)C2)nn1 | CCCCCCn1c(=O)c2c(nc3n2CCN3c2cccc(C)c2C)n(C)c1=O | 0.673653 |
O=C1[C@H](N2CCC(C(F)(F)F)CC2)CCN1C1CC1 | Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cc3c(C)nn(CC(C)C)c3s2)CC1 | 0.370409 |
COc1ccc(N2CCN(C(=O)CCCN(c3ccccc3)S(C)(=O)=O)CC2)cc1 | Cc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1[N+](=O)[O-] | 0.447072 |
CCN1CCN(CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)CC1 | Cc1c(CN2CCC[C@@H](n3nnc4cc(C(F)(F)F)ccc43)C2)c(=O)n(C)c(=O)n1C | 0.344062 |
CC(C)NC(=O)C[C@H](C)NC(=O)c1ccccc1 | Cc1cn(C2CCCCC2)nc1NC(=O)N(C)Cc1cccc(O)n1 | 0.28133 |
O=C(c1ccc2c(c1)OCCO2)N1CCc2nnc([C@@H]3CCCN3)n2CC1 | CC[C@@H](NC(=O)COC)c1ccccc1OCC(=O)N1CCCC1 | 0.519101 |
CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CC(c3cc(O)no3)C1)OC2=O | Cc1ccc(OCCNC(=O)C2CCN(c3ccc(C#N)cn3)CC2)cc1 | 0.473804 |
COc1cc(N2CCCC2)c(OC)cc1/C=C1\SC(=Nc2cc(C)cc(C)c2)NC1=O | COc1ccccc1NC(=O)CN1CCN(c2ncccn2)CC1 | 0.436195 |
COc1ccc(CC(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)cc1OC | COc1cc(Br)ccc1CCCS(C)(=O)=O | 0.325495 |
COc1ccc(NC(=O)C(=O)NCC2(c3ccc(F)cc3)CC2)cc1Cl | O=C(c1ccc(-c2noc(C(F)(F)F)n2)cc1)N1CCOCC1 | 0.387578 |
CC(C)(C)C(=O)Nc1cccc(NCC(=O)NCc2ccccc2F)c1 | CC[C@H](Oc1cccc(C)c1)C(=O)NC(C(C)C)C(C)C | 0.299353 |
N#C[C@H](NC(=O)[C@H]1CCOC1)c1ccc(OCc2ccccc2)cc1 | COc1ncccc1C(=O)N1CCO[C@@H](c2nnc(C(C)C)o2)C1 | 0.458904 |
Cc1cc(C(=O)CSc2nnc(-c3ccco3)n2C)c(C)n1Cc1ccco1 | COc1ccc(NC(=O)[C@H]2CC(=O)N=C(Nc3cc(Cl)ccc3OC)S2)cc1 | 0.595459 |
CN(C)C(=O)c1cccc(NC(=O)N2CCC(n3cccc3)CC2)c1 | COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1O[C@@H](C)C(=O)O | 0.345109 |
O=C(OCc1ccccc1)[C@@H]1C[C@@H]2CCC[C@@H]2N1 | O=C(Nc1cccc(C(F)(F)F)c1)c1ccn(COc2ccccc2F)n1 | 0.368286 |
CCc1c(C)[nH]c2c(-c3ccc(Cl)cc3)c(-c3ccccc3)nn2c1=O | Cc1cc(Nc2ccc(N)cc2)ncn1 | 0.292952 |
O=C(NC[C@@H](O)c1ccco1)c1c(F)cccc1Cl | CN(C)C(=O)c1ccc(CN[C@H]2CCCN(c3ccccc3C#N)C2)[nH]1 | 0.429268 |
C[C@H](NC(=O)C(=O)Nc1cnc2ccccc2c1)c1ccccc1Cl | Cc1cc(C)n(C[C@H]2CCCN2C(=O)COc2cccnc2)n1 | 0.459207 |
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)C2=O)c1 | C[C@@H](OC(=O)c1ccccc1S(C)(=O)=O)C(=O)NCc1ccccc1Cl | 0.567511 |
N#Cc1ccccc1NC(=O)C[C@H](NCc1cccnc1)C(=O)O | Cc1ccsc1C(=O)Nc1cccc(C(=O)N2CCC[C@@H](O)C2)c1 | 0.470812 |
C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N(C)CC1CC(O)C1 | Cc1ccccc1CNC(=O)[C@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1 | 0.414765 |
CCn1ccnc1[C@@H]1OCCC[C@H]1NC(=O)c1csc2cncn12 | C[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 | 0.411892 |
COCCC[C@@H]1CCCN(C(=O)CCc2cnn(C)c2)C1 | COc1c(C)[nH]ccc1=NC(=O)[C@H]1CC(=O)N(c2nccs2)C1 | 0.335337 |
COc1ccccc1NC(=O)C(=O)N(c1cccnc1)[C@H](C(=O)NC(C)(C)C)c1ccccc1F | O=C(CN1CCN(c2ccc3c(c2)OCCO3)C1=O)NCc1ccccn1 | 0.638889 |
CCN(CC)C(=O)[C@H](C)Oc1cccc(OC)c1 | CCn1ncnc1[C@@H](C)NC(=O)CCC(=O)Nc1c(C)cc(C)cc1C | 0.285714 |
Cc1cc2cc3c(cc2nc1SCC(=O)Nc1nc2c(s1)CCCC2)OCO3 | CC(C)N1C(=O)c2ccccc2[C@]1(O)c1ccccc1 | 0.627883 |
Cn1ccnc1C(=O)N1C[C@@H]2CCN(c3cccnc3)C[C@@H]2C1 | Cc1ccc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c(Br)c1 | 0.346205 |
Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)C=C2CCCCC2)n1 | CCOC(=O)[C@]1(C(=O)O)NC(=O)C[C@H]1c1ccccc1 | 0.546926 |
Cc1cc(Br)oc1C(=O)N(C)[C@H]1CCC[C@@H]1S(C)(=O)=O | CN1CCC2(CCN(C(=O)Nc3ccc(F)cc3OC(F)F)CC2)C1=O | 0.494881 |
CC(C)=CCN1CCN(C(=O)c2ccccc2)CC1 | CCCc1noc([C@@H](C)Sc2ccc(S(=O)(=O)N3CCCCCC3)cn2)n1 | 0.267327 |
CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NCc3ccccc3OC)c(=O)cc21 | Cc1nc2nc(N)nn2c(O)c1Br | 0.540569 |
CCCCn1c(SCC(N)=O)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 | N#Cc1ccccc1C(=O)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 | 0.691221 |
O=S(=O)(C[C@@H]1C[C@H]2CC[C@H]1C2)NCCCc1c[nH]c2ccc(F)cc12 | O=C(c1ccncc1)N(c1cccc(F)c1)C1CCOCC1 | 0.425718 |
O=C(Nc1nc[nH]n1)c1ccc(Cl)cc1[N+](=O)[O-] | O=C(O)Cn1cc([C@H](C(=O)O)N2CCN(Cc3ccccc3)CC2)c2ccc(F)cc21 | 0.497783 |
CCCCCCC[C@@](O)(CCN1CCCCC1)c1ccc(O)cc1 | CC(Nc1ccc(Sc2ccc(Br)cc2)cc1)=C1C(=O)NC(=O)NC1=O | 0.295676 |
Cc1cccc(-n2c(C)cc(C(=O)CN3CCCS3(=O)=O)c2C)c1 | C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccc4ccccc4n3)cc2)C[C@@H](C)O1 | 0.475485 |
CC(=O)N[C@@H](Cc1ccc2c(c1)OCO2)C(=O)N1CC(N2C[C@H]3CCC[C@H]3C2)C1 | O=C(c1cccc(C(F)(F)F)c1)N1CCN2CCC[C@H]2C1 | 0.456579 |
C[C@H]1CC[C@H](C(=O)NCCc2ccccc2C(=O)O)O1 | CCOC(=O)c1sc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nc1C | 0.404133 |
O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCN([C@@H]2CCOC2)CC1 | Cc1cnc(C(=O)Nc2ccc(F)cc2Cl)c(F)c1 | 0.448521 |
C[C@@H](/C(O)=N/C1CCCCC1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 | C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccc(OCC)cc1 | 0.36988 |
Cc1cc(CCC(=O)N[C@@H](Cn2ccnn2)C(C)C)ccc1F | O=C(O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)c(Cl)c2)n1 | 0.407577 |
C[C@H]1C[C@H](C)CN(C(=O)CSc2nc(-c3ccccc3F)n[nH]2)C1 | COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1I | 0.397077 |
CCS(=O)(=O)c1ccc(C(=O)N2C[C@H](C3CC3)C[C@@H]2C2CC2)cc1 | Cc1cc(C(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)cc(C)n1 | 0.489247 |
OC[C@H]1CCCCN1CCCNc1ccc2ccccc2n1 | Cn1ccnc1CN1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 | 0.397837 |
C[C@@H]1C[C@H](C)CN(C(=O)CSc2nnc(CN(c3ccccc3)S(C)(=O)=O)n2C)C1 | Cc1cc(Nc2cccc(C(=O)O)c2)ncn1 | 0.35434 |
Cc1ccc(OCc2ccc(C(=O)NCC(=O)Nc3ccccc3C)o2)cc1 | Cn1cc([C@@H](NC2CCN(C(=O)c3cccs3)CC2)[C@H]2C[C@@H](O)C2)cn1 | 0.462264 |
N#C[C@@H]1CCC2(CN1Cc1ccccc1)OCCO2 | Cc1c(CCC(=O)NC[C@H]2CCCO2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 | 0.468785 |
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