p1
stringlengths 8
252
| p2
stringlengths 8
204
| similarity
float64 0.02
0.99
|
---|---|---|
CCCCN1C(=O)C[C@H](C(=O)N(CC)CC)[C@@H]1c1ccc(OC)cc1 | O=C(/C=C/c1ccc(Br)o1)N1CCC[C@@H]1c1cccs1 | 0.549708 |
Cn1c(C(=O)NC2CCN(C(=O)N3CCCC3)CC2)cc(=O)n(C)c1=O | COc1ccc(-c2nsc(Cl)n2)cc1OC | 0.374248 |
Cc1ccc(/C=C2/S/C(=N\c3ccc(Cl)cc3Cl)NC2=O)o1 | COc1ccc(CCN2C(=O)O[C@H]3CN(Cc4ccc(F)c(F)c4)C[C@H]32)cc1 | 0.512568 |
COc1ccc(-c2nnc(S)n2CC(=O)N[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 | CNC[C@@H](C)C(=O)NC[C@H](O)c1ccccc1C | 0.291615 |
CN(C(=O)c1cc2scnc2[nH]1)C1(C(=O)O)CC1 | CCn1c(C)ccc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 | 0.661631 |
CC(C)C[C@@H](NC(=O)c1cccc(CO)c1)c1nc2ccccc2[nH]1 | C=CCn1c(-c2c(C)oc3ccccc23)cs/c1=N\S(=O)(=O)c1ccccc1 | 0.530271 |
O=C(Cn1cnnn1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 | CC(=O)N1CCC(C(=O)N(C)Cc2ccc(C)o2)CC1 | 0.369935 |
Cc1cccc(C(=O)N2CCN(C(=O)CC(F)(F)F)CC2)c1 | O=C(Nc1nc2c(s1)CCCC2)[C@@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1 | 0.337376 |
C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 | CCc1cccc(CC)c1N=C1NCCN1 | 0.331689 |
Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@H]1COc2ccccc2O1 | O=C(O)CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)C1 | 0.495982 |
COc1ccc(OC[C@@H](O)CN(Cc2cccc3ccccc23)[C@H]2CCS(=O)(=O)C2)cc1 | CC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1cnn(CC)c1 | 0.426087 |
O=C(O)CCc1cc2n(n1)CCN(C(=O)CCn1cnc3ccccc31)C2 | CN(Cc1c(F)cccc1Cl)C(=O)Nn1cnc2ccccc21 | 0.551724 |
C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)CCn1ccnn1 | CCc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCCCOC)cc2c1 | 0.47235 |
COc1ccc([C@@H]2Nn3c(C)nnc3S[C@@H]2C(=O)Nc2ccc(Br)cc2F)cc1 | CN(C(=O)c1ccc(-c2cncnc2)cc1F)c1ccc(S(C)(=O)=O)cc1 | 0.56499 |
O=C(c1ccccn1)N1CC[C@H](c2ncn3ccsc23)C1 | CCCCN[C@@H](C)c1ccccc1OC1CCCC1 | 0.405988 |
Cc1nc(C(=O)N(C)C)nc(N2CC[C@@H](NCc3cnc[nH]3)C2)c1C | COCCn1c(=O)nc(O)c2ccc(-c3cc4c(C)c(C)c(=O)oc4c(C)c3O)nc21 | 0.69254 |
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](C)c1cccc(OC(C)C)c1 | COC(=O)C1CCN(C(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)CC1 | 0.532902 |
O=C(COc1nsnc1N1CCOCC1)Nc1cccc(F)c1 | Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N(C)[C@@H](C)c1ccco1 | 0.477547 |
CCN(CC)c1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1 | CCOc1ccc(CN2CCC[C@H](N)CC2)c(OCC)c1C | 0.414474 |
C=CCN1C(=S)N(c2cccc(OC)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 | Cc1ccc(Cn2nc(C)c3cc(C(=O)OCC(=O)NCC(F)(F)F)sc32)cc1 | 0.654206 |
CSc1ccc(/C=C2\CCn3c2nc(=O)c2ccccc23)cc1 | O=C(CCc1cc(Cl)cs1)NO[C@@H]1CCCCO1 | 0.369412 |
Cn1cncc1CN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 | O=C(C[C@@H]1COCCN1C(=O)c1nc(-c2ccccc2)cs1)c1ccccc1 | 0.54793 |
Cc1cc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)on1 | CCCCNC(=O)N1CCC[C@H](c2nc(CC(C)C)no2)C1 | 0.417513 |
O=C(Nc1cccc(Cl)c1Cl)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 | Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1Cl | 0.531938 |
O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1cc(N2CCCC2=O)ccc1F | O=C(c1cccc2c1NCCC2)N1CCC[C@]2(CCc3c(O)nc(C4CC4)nc32)C1 | 0.53112 |
CN(C)[C@@H](CNC(=O)C(=O)Nc1ccncc1)c1cccs1 | O=C(c1cc(OCc2ccccc2)no1)N1CCN(c2ccccc2F)CC1 | 0.4425 |
COc1ccc(-c2nnc(SCC(=O)N[C@H](Cc3ccccc3)C(=O)O)o2)cc1 | CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N/c3ccc(Cl)cc3)S2)cc1 | 0.482418 |
COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1cc2c3c(c1)[C@@H](C)C(=O)N3CCC2 | O=C(Nc1cccc(Cl)c1)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O | 0.414661 |
C[C@H]1C[C@]2(CCCN(C(=O)OC(C)(C)C)C2)NC1=O | Cc1ccc(-c2cc(C(=O)OCC(=O)NC(=O)NCC(C)C)c3ccccc3n2)o1 | 0.440223 |
COc1ccc(CN[C@H]2CCN(C(=O)C3CC3)C[C@H]2C)cc1Cl | O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccn1-c1ccccc1 | 0.439866 |
CCOc1cnc(C(=O)N2CCO[C@H](c3ccccc3)CC2)cn1 | Cc1ccc2c(CSc3nnc(-c4ccncc4)n3CC(F)(F)F)ccc(O)c2n1 | 0.527687 |
Cc1c(C(=O)Nc2cncnc2N(C)C)cnn1-c1ccccc1F | O=C(O)CCc1nc2ccccc2oc1=O | 0.434879 |
Cc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)cc1 | CN1C(=O)N(Cc2ccc(F)cc2)C(=O)C12CCCCC2 | 0.402614 |
CCN(CC)[C@@H](CNC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1)c1ccc(OC)cc1 | CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccncc2)c1 | 0.510563 |
CCCCCn1c(O)c(C(=O)Nc2ccc(Br)cc2)c(=O)c2ccccc21 | CN(C(=O)[C@@H](N)c1ccccc1)[C@@H]1CCSC1 | 0.413019 |
COc1ccc2c(/C=C3\SC(=S)N(c4cccc(O)c4)C3=O)c[nH]c2c1 | CSc1ncc(C(=O)N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)cn1 | 0.503247 |
C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1cnc2ccccc2n1 | CCSC1(CNC(=O)c2ccc3[nH]c(C)c(C)c3c2)CCOCC1 | 0.549199 |
COCCn1c(SCC(=O)N2CCCc3ccccc32)nc(O)cc1=O | CCc1nnc(C)cc1C(=O)N1CC(c2nc3ccccc3s2)C1 | 0.611285 |
COc1ccccc1N(C[C@H](O)CN1[C@@H](C)CCC[C@@H]1C)S(=O)(=O)c1ccccc1 | CCc1cc(N2CCN(c3ncnc4c3Cc3ccccc3OC4)CC2)ncn1 | 0.571429 |
Cc1ccc(NC(=O)CN(C)C(=S)NC[C@@H]2CCCO2)cc1 | CCOC[C@@H]1CN(C(=O)Cc2ccc(F)cc2OC)Cc2ccnn21 | 0.387316 |
CCCCCCSc1nn(CCC#N)c(=O)[nH]c1=O | O=C(O)C[C@@H]1CNC(=O)c2cc(-c3ccccc3F)cn21 | 0.49115 |
C/N=C(/NCCc1cccs1)N[C@@H](C)c1ccccc1 | C/C(=N\Nc1nc2ccccc2[nH]1)c1ccccc1Br | 0.288431 |
Cc1n[nH]c(C)c1-c1nc2c([nH]1)C[C@H](c1ccc(Cl)cc1)CNC2=O | O=c1[nH]c(=S)[nH]c2c1CN(c1ccc3c(c1)OCCO3)CC2 | 0.611814 |
COCCCN1CCC[C@@]2(CCCN(C(=O)Cn3cnnn3)C2)C1 | COc1ccc(CN2[C@H]3CC[C@H]2CC(NC(=O)/C=C/c2ccccc2)C3)cc1 | 0.330871 |
CCOC(=O)c1ccc(-c2ccc(/C=N/N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C34CC4)o2)cc1 | C=CCn1c(SCC(N)=O)nc2sc3c(c2c1=O)CCC3 | 0.680612 |
CCn1c(S[C@@H](C)C(=O)Nc2nnc(C)s2)nnc1-c1ccc(OC)c(OC)c1 | CC(C)c1ccc(-c2cc3c4nn(Cc5cccc(C#N)c5)c(=O)n4ccn3n2)cc1 | 0.68997 |
C[C@H](Sc1nnc(C2CC2)n1CC(N)=O)c1nc(N)nc(N(C)C)n1 | Cc1cc(N)nc(SCc2noc(C(C)(C)C)n2)n1 | 0.418903 |
N[C@@H](Cc1nc(-c2cccnc2)no1)c1ccccc1 | O=C(c1ccc(N2CCCC2)cc1)N1CCN(c2ccc(F)cc2)CC1 | 0.349185 |
Cc1nccn1[C@@H]1CCCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 | CN(C)C(=O)C[C@H]1OC[C@H]2CN(Cc3cccc4ccccc34)CC[C@H]21 | 0.491566 |
CCCCCNC(=O)N1CCCN(C(=O)[C@@]2(C)CCN(C)C2)CC1 | O=C(NCc1ccncc1)[C@@H]1CNCCN1C(=O)CCn1ccccc1=O | 0.356305 |
C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCC#Cc1ccccc1)C2=O | CN(C(=O)NCc1nnc2n1CCCC2)[C@H]1CCCc2ccccc21 | 0.530837 |
Cc1cc(Br)cnc1-c1nc[nH]n1 | C[C@H](NC(=O)c1ccc(Br)s1)C(=O)Nc1cnc(C(C)(C)C)nc1 | 0.377632 |
O=C(Cc1ccc(-n2cccc2)cc1)N1CCN(CCOc2ccccc2)CC1 | CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3cccc(OC)c3)[C@](O)(C(F)(F)F)[C@@H]2C1 | 0.404915 |
COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccccn4)cc3N2)cc1 | CS(=O)(=O)Nc1ccccc1C(=O)N1CCCN(c2ccccc2)CC1 | 0.581081 |
Cc1nn(C)c(C)c1CCNC(=O)N[C@@H]1c2ccccc2O[C@H]1C | CCS[C@@H]1CCC[C@H](NC(=O)c2ccc(NC(C)=O)cc2)C1 | 0.401442 |
C#CCCC1(CCC(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C(=O)OC)N=N1 | C[C@H]1CN(C(=O)c2cc3c(s2)CCOC3)c2ccccc2NC1=O | 0.599583 |
CC(C)COc1cccc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)c1 | C[C@@H](NC(=O)CNc1cc(Cl)ccc1F)C(=O)N1CCCCC1 | 0.384824 |
COc1ccc(Cl)cc1CN1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1 | CCCNS(=O)(=O)c1cc(C(=O)N[C@H](C)CC)ccc1OC | 0.522235 |
COc1ccc(S(=O)(=O)N(C)c2ccccn2)c2cccnc12 | CCN(CC)c1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1 | 0.495624 |
C[C@@]12O[C@H]1[C@H]1CC[C@H]2c2c(F)c(F)c(F)c(F)c21 | C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)Nc1ccc(C(F)(F)F)nc1 | 0.475556 |
COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(F)c2)cc1F | CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)c1 | 0.794872 |
Cc1csc([C@](O)(CC(=O)NCc2c(C)noc2C)C(F)(F)F)n1 | CC(=O)N(C[C@@H]1CCN(C(=O)[C@@H](N)C(C)C)C1)C(C)C | 0.260658 |
O=C(N1CCCC1)N1C[C@H]2CCN[C@H]2C1 | Cn1ccnc1CNC(=O)NC[C@H](O)c1ccc(Cl)c(F)c1 | 0.277017 |
N#CCCSc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 | CCOC(=O)Cc1csc2nc3ccccc3n12 | 0.461714 |
Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Nc1cccc(S(N)(=O)=O)c1 | Cc1ccc(CC(=O)Nc2ccc(C(N)=O)cc2)cc1C | 0.358244 |
CC[C@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(OC)nc1 | COc1cc(C(=O)CC(=O)CCC(=O)Nc2cc(C)ccc2C)ccc1O | 0.527412 |
CC(C)(C(=O)N1CCO[C@H](CC(=O)O)C1)c1ccc2c(c1)OCCO2 | Cc1c(C(=O)OCCCN(CC(F)(F)F)C(C)C)cnn1-c1ccccn1 | 0.483616 |
c1c(C23CC4CC(CC(C4)C2)C3)nnn1Cc1n[nH]c2c1COCC2 | Cc1ccc(F)cc1S(=O)(=O)NCC1(N(C)C)CCCC1 | 0.462754 |
CCNC(=O)[C@@H](C)Sc1nnc(-c2cccc(OC)c2)n1C | O=C(CCS(=O)(=O)C1CCCC1)NCc1ccccc1 | 0.299202 |
CCc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1 | O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NC12CC3CC(CC(C3)C1)C2 | 0.548559 |
OCc1cccc2c1[C@@H](O)c1ccccc1-2 | O=C(c1ccc(Br)cc1)N1CCC(Oc2ccncc2)CC1 | 0.325681 |
COc1ccc(N2C[C@@H](C(=O)Nc3cc(C)cc(C)c3)CC2=O)c(OC)c1 | Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN1CCN(C)CC1 | 0.426994 |
CCc1nnsc1C(=O)NCCN1CCCCCC1 | Cn1ncc2c1CCC[C@H]2NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1 | 0.424888 |
O=C(O)CN(Cc1ccccc1)C1CCN(c2ccccc2F)CC1 | Cn1c(CN2CCCCC2)nnc1[C@H]1CCCN(Cc2ccncc2)C1 | 0.424845 |
COc1ccccc1/C=C/C(=O)N1CCO[C@H](C(=O)O)C1 | COc1cc(NC[C@H]2C[C@@H]2CN)cc(OC)c1OC | 0.310938 |
CNC(=O)[C@@H]1CN(CCc2ccccc2)CCN1C(=O)c1ccnc(N2CCOCC2)c1 | CNC(=O)[C@H](Cc1ccccc1)Nc1ncnc2c1oc1ccccc12 | 0.587852 |
C[C@H](CN(C)C(=O)Cc1ccc(S(C)(=O)=O)cc1)N1CCOCC1 | CC(=O)N1CCC(N[C@H]2C[C@H]3CO[C@@H](c4ccc(Cl)cc4)CN3C2)CC1 | 0.474359 |
Cc1nnsc1C(=O)N1CCC[C@@H](CNC(=O)c2cn3cccc(C)c3n2)C1 | CSc1ccc2cc(-c3nccn3C[C@H](CO)C(C)C)c(O)nc2c1 | 0.562236 |
CC1(C)SC[C@H]1NS(=O)(=O)c1ccccn1 | CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 | 0.402286 |
C[C@H]1CN(C)[C@@H](C)C[C@@H]1Nc1ccccc1 | COc1ccccc1OC[C@@H](O)Cn1c([C@H]2CC(=O)N(c3cccc(C)c3)C2)nc2ccccc21 | 0.334083 |
Cc1ccc(-n2ccnc2SCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)cc1C | Cc1cc(N)n(CC(=O)N[C@H](c2ccccn2)[C@H]2C[C@@H](O)C2)n1 | 0.546943 |
NCC(=O)N1CCC[C@](O)(CN2CCOCC2)CC1 | C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1ccc([S@@](C)=O)c(F)c1 | 0.283747 |
CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(C)c3)N21 | CCOc1ccccc1N1CCN(CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)CC1 | 0.801005 |
COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Cc2cccnc2)cc1C | Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)c2onc3c2CCCC3)C1 | 0.71093 |
O=C(Nc1cccc(C(=O)N2CCC[C@H]2c2ccsc2)c1)[C@@H]1CCCO1 | CCCCSc1nc2ccccc2c2nc(-c3cccnc3)nn12 | 0.573081 |
Cc1nn(-c2ccccc2)cc1CNC[C@H]1CCC2(CCOCC2)[C@H]1O | C[C@@H](CN1CCCCC1)NC(=O)N1CCN(C(=O)C(C)(C)C)CC1 | 0.249645 |
O=C(NCc1nc2c3ccccc3ncn2n1)c1ccccc1 | CCCCNc1nc(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)cs1 | 0.446961 |
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)cc1 | O=c1c2ccccc2n(Cc2ccc(F)cc2)c(=O)n1Cc1ccccc1 | 0.489433 |
CSc1ncc(C#N)c(N(C)Cc2ccc3c(c2)OCCO3)n1 | c1ccc(-c2nnc[nH]2)c(OCc2nnc3n2CCCCC3)c1 | 0.488346 |
COCc1ccc(CN2Cc3ccccc3O[C@H](c3ccccc3OC)C2)o1 | COc1ccc(C(=O)COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1 | 0.436145 |
Cc1ccccc1N(C(=O)CCc1nnc(C2CCCC2)o1)C(C)C | CS(=O)(=O)NC[C@H]1CCCCN1C(=O)COc1ccc(F)cc1 | 0.383905 |
Cc1noc([C@@H]2CC[C@H](CNS(=O)(=O)c3c[nH]c4ncccc34)O2)n1 | Cc1c(CN[C@@H]2CCc3c(sc4ncn(CCC(C)C)c(=O)c34)C2)cnn1C | 0.721608 |
COc1cc(OC)cc(N2C=C(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccccc32)c1 | O=C(NC1CC1)c1ccnc(N2CCC(N3CCC[C@H](O)C3)CC2)c1 | 0.493671 |
CCN1CCC(N(C)C(=O)CCc2nc(-c3cccc(Cl)c3F)no2)CC1 | c1coc(Cn2c(COc3ccc4ccccc4c3)nnc2SCCN2CCCC2)c1 | 0.514541 |
C[C@@H]1CN(C(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)CCO1 | O=c1c2cnc(NCc3cc(F)cc(F)c3)nc2nc(O)n1Cc1ccccc1 | 0.512766 |
Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O | COc1ccccc1/C=[N+]1\NC(=O)[C@@H](NC(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 | 0.792934 |
CCn1nc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c2cc3cccc(C)c3nc21 | Cc1cc(C(N)=O)c(NCCc2csc(C(C)C)n2)nc1C | 0.604361 |
OCCC/N=C/c1c(C(F)(F)F)nn(-c2nc3ccccc3s2)c1O | COC[C@H](O)CN(C)C(=O)NCCc1ccc(F)cc1 | 0.303233 |
CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C1Cc2ccccc2C1 | Cn1cc(C(=O)NCC[C@@](O)(c2ccccc2)C(F)(F)F)cn1 | 0.427995 |
Cn1c(=O)c2nc(/C=C/c3cccc(Cl)c3)n(C)c2n(C)c1=O | Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCC(C)C)s2)cc1 | 0.518478 |
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