p1
stringlengths 9
246
| p2
stringlengths 10
231
| similarity
float64 0.09
1
|
|---|---|---|
O=C([C@@H]1CSC(c2ccccc2)=N1)N1Cc2conc2C1 | Cc1noc(C)c1CN1CC[C@@H](NC(=O)CN2CCCCCC2)[C@H](O)C1 | 0.557039 |
O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2CN(Cc3cccnc3)C[C@@H]21 | CC[C@@H](NC(=O)c1cc(=O)c2ccc(C)cc2o1)c1cn2cccnc2n1 | 0.686552 |
C[S@@](=O)c1ccc(NC(=O)C(=O)N2CC3(CCCC3)c3c(F)cccc32)cc1 | O=C1COc2cc(C(=O)N[C@H]3CCCN(Cc4cccs4)C3)ccc2N1 | 0.590095 |
CCOC(=O)c1ccc(N(CC(=O)OC)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 | CN(C[C@@H]1CCc2nccn2C1)S(=O)(=O)c1ccc(Br)s1 | 0.546943 |
Cc1c(C(=O)N2CC3(COc4ccccc4C3)C2)cnn1-c1ccccn1 | COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CCCC[C@H]4C)c3N2)c1 | 0.755578 |
CC(C)n1cc(NC(=O)c2cc(-c3ccn(C)c3)[nH]n2)cn1 | Cn1c(=O)c2nc(SCC(=O)NCc3ccccc3)n(C)c2n(C)c1=O | 0.531847 |
C#CCn1cc(/C=C2/C(=O)N=C(O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21 | COc1ccc(OC)c(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)c1 | 0.690428 |
COC(=O)c1sccc1S(=O)(=O)N1CCN[C@@H](C)[C@H]1C | C[C@@H]1CCCN([C@H](c2cccs2)c2nnnn2CCc2ccccc2)C1 | 0.555317 |
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2)cc1C | CN(Cc1n[nH]c2c1CCCCC2)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C | 0.503885 |
CN(C)C(=O)C[C@]1(O)CCCN(c2ccnc(-c3ccccc3)n2)C1 | COc1ncc(C2(O)[C@@H]3CCC[C@H]2CN(Cc2cc4c(cc2OC)CCC4)C3)c(OC)n1 | 0.578891 |
CC#CCN1C(=O)N[C@@](CCc2ccccc2)(C2CCN(Cc3ccc(F)cc3F)CC2)C1=O | CCCC[C@@H]1C(=O)N(C)CCN1S(=O)(=O)c1ccc(O)c(C(=O)O)c1 | 0.641081 |
CCCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](N(C)CCc1ccccn1)C2 | C/C=C/c1ccc(OC[C@@H](O)CN2C(=O)N[C@](CC)(c3ccc(OC)cc3)C2=O)c(OC)c1 | 0.715587 |
CCCNC(=O)c1ccccc1NC(=O)c1cncc(Br)c1 | CCOc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3)c3ccc(CC)cc3c2=O)cc1 | 0.533991 |
COc1ccc2nc(COC(=O)C(C)(C)C)c(C(C)=O)[n+]([O-])c2c1 | O=C1CC2(CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)Oc2ccccc21 | 0.535754 |
CCc1nn(C)cc1C(=O)N1C[C@H](O)C[C@H]1c1cccc(OC)c1 | O=C(NCCc1nc2ccccc2[nH]1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl | 0.582609 |
COC(=O)[C@]1(c2ccccc2)N[C@H](c2ccc(F)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 | Cc1nnc2ccc(SCC(=O)N[C@@H]3CCCC[C@H]3c3ccccc3)nn12 | 0.654271 |
CC[C@]1(C(=O)O)CCCN(C(=O)c2cnc(N(C)C)nc2C)C1 | Cc1nc(C)c(C(=O)N2CCC(CC(=O)N[C@@H](C)c3ccccc3)CC2)s1 | 0.539016 |
CC(=O)N1CCCN(Cc2ncc(-c3ccc(C#N)cc3)o2)c2ccccc21 | CCS(=O)(=O)N1CCc2cc(C(=O)Nc3ccccc3C)ccc21 | 0.552775 |
Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1 | O=C(CSc1ncnc2ccccc12)c1ccc(S(=O)(=O)N2CCCC2)cc1 | 0.584256 |
CC[C@H]1SCCn2c(-c3nc[nH]c3C(=O)NC)nnc21 | O=C(Nc1ccccc1)c1nc(-c2ccncn2)no1 | 0.54034 |
Cc1cccc(CN2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)n1 | C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC[C@H]2c2cnn(C)c2)o1 | 0.577007 |
O=S1(=O)NC/C(=N\O)c2sccc21 | CCOCCCn1/c(=N/C(=O)c2cccnc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 | 0.591322 |
CN1CCN(CCCNC(=O)COc2c3c(c(Br)c4c2C(=O)N(C)CC4)OCO3)CC1 | COC(=O)C1=C(C)N=c2sc(=Cc3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(C(=O)OC)cc1 | 0.822026 |
O=C(CSc1nnc(NC2CCCCC2)s1)OCCN1C(=O)c2ccccc2C1=O | COc1ccc(N(C(=O)c2ccccc2F)[C@H]2C=CS(=O)(=O)C2)cc1 | 0.540511 |
COc1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(CN(CC4CC4)C3)C2=O)cc1 | CC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cn3c(n2)CCCC3)C1 | 0.627706 |
O=C(c1cccc2c1OCCO2)N1CC[C@H](Oc2cccnn2)C1 | CCn1c([C@H]2CCCN(C(=O)Cn3ccnc3-c3ccccc3)C2)n[nH]c1=O | 0.546218 |
Cn1ccc(C(=O)NC[C@]2(O)CCN(c3ncccn3)C2)n1 | O=c1c(C(F)(F)F)cc(C2CC2)nn1C[C@@H](O)CN1CCOCC1 | 0.509605 |
COC(=O)CN1CCN(c2nc(C3CCCC3)nc3c2cnn3C)[C@H](C)C1=O | Cc1cc(C)c(N2/C(=N/C(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 | 0.713139 |
CC(C)(C)c1cc(C(=O)N2CCC[C@H]([C@@H]3CC(=O)c4c(ccc5ccccc45)O3)C2)[nH]n1 | C=CCN1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O | 0.57492 |
O=C(NC[C@](O)(c1ccco1)c1cccs1)c1cc(-c2ccco2)on1 | CC(C)/N=c1\ccccn1C(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 | 0.548589 |
c1csc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)n1 | CCNC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1 | 0.519058 |
O=c1[nH]cnc2c1cnn2-c1ccc2c(c1)OCCO2 | COCCN1CC[C@@]2(CN(C3CCC3)C[C@@H]2c2cn(C(C)C)cn2)C1=O | 0.551509 |
O=c1[nH]c(CSc2nnc(-c3ccccc3F)n2C2CC2)nc2ccc(Cl)cc12 | Cc1ccc(C)c(NS(=O)(=O)c2ccn(S(=O)(=O)c3ccccc3)c2)c1 | 0.569328 |
CCc1nc2c(c(=O)n1CCOC)CCN(C(=O)c1cccs1)CC2 | CCOc1c(Cl)cccc1NCc1cc(=O)n2nc(C)sc2n1 | 0.673532 |
CCCc1ccc(C(=O)Cn2cnc3onc(C)c3c2=O)cc1 | CCN(CC(C)C)C(=O)/C=C/c1c(C)nn(Cc2ccccc2Cl)c1C | 0.517357 |
COC(=O)Cc1c[nH]c2cccc(OC[C@H](O)CNC(C)C)c12 | CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@@H](NCc1ccncc1)CC2 | 0.552854 |
CCC(=O)Nc1ccc(C)c(NC(=O)N(CCO)Cc2nccn2C)c1 | CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)nn(CC)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 | 0.556324 |
COc1ccccc1CC(=O)N1CCC(c2noc(-c3cccnc3)n2)CC1 | Cc1cc(C)n2nc(SCC(=O)N(Cc3ccco3)C3=CCCCC3)nc2n1 | 0.56902 |
C[C@@H]1CC[C@@H]2[C@@H](O1)c1ccc(C(=O)N(C)Cc3ccccc3)c(OCC(=O)O)c1OC2(C)C | CC(C)(C)c1ccc(-c2nc(NCCCN3CCOCC3)c3ccccc3n2)cc1 | 0.596054 |
Cn1ccnc1C(=O)c1ccc(NC(=O)c2csc3c2CCCC3)cc1 | O=C(Cc1cccc(F)c1)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 | 0.570968 |
C[C@@H]1CN(C(=O)c2ccnn2CC(F)F)[C@@H](c2ccccc2)CO1 | Cc1cc(C(=O)N[C@H]2CN(C(CO)CO)C[C@@H]2C(C)C)n(C)n1 | 0.580499 |
COc1ccccc1-c1cc(C(=O)NCCCc2cnc3ncnn3c2)[nH]n1 | CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(O)c(OC)c1 | 0.66077 |
Cc1csc(SCC(=O)N2CCC[C@H]2c2nc3cccc(C)c3[nH]2)n1 | CCN(C(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1)c1ccccc1 | 0.542611 |
COc1ccc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccc(F)cc2F)c(OC)n1 | Cc1noc(C)c1S(=O)(=O)N1CCN(CCn2cccn2)CC1 | 0.606996 |
C[C@@H]1CN(C(C)(C)CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)C[C@H](C)O1 | O=c1c2ccccc2nnn1CSc1nnc(Cc2cccs2)n1C1CCCCC1 | 0.523965 |
Cc1ccc(-c2nnc3sc(Cc4noc5ccc(C)cc45)nn23)cc1 | Cc1nc(CN(C)[C@@H]2CCc3c(c(C(=O)N(C)Cc4ccco4)nn3C)C2)cs1 | 0.713706 |
CCOC(=O)c1[nH]c(CO)c(C(=O)OCC)c1C | CCOc1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@@H]3C2=O)cc([N+](=O)[O-])c1O | 0.504367 |
Cc1cc(C(=O)Nc2ccc(Oc3ncccn3)cc2)c(C)n1C1CC1 | Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@@H](C(=O)NC(C)(C)C)c3ccncc3)n2)o1 | 0.6 |
O=C(Cn1c(NCCO)nc2ccccc21)NC1CCCCCCC1 | CCOc1cc2c(cc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC3CC3)c1)O[C@@H](C)C2 | 0.533113 |
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2C)cc1Cl | CC(C)=C[C@H]1[C@H](C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)C1(C)C | 0.616549 |
Cc1nnnn1-c1cccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)c1 | Cc1cccc(N(CC(=O)NCc2ccccc2CN2CCCCC2)S(=O)(=O)c2ccccc2)c1 | 0.542825 |
c1ccc(CN2C[C@@H]3CN(c4ncnc5n[nH]cc45)C[C@H]3C2)cc1 | CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)c(Cl)c3)=C(O)C(=O)N2CCCN(C)C)cc1 | 0.586498 |
Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)N1CC=CCC1 | CC(C)c1cc(-c2nc(C3CC3)nn2-c2ccccn2)nc2ncnn12 | 0.553279 |
CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(-c3cccs3)n[nH]2)cc1 | CCOCCOc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 | 0.590662 |
CCOc1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1OC | CS[C@@H](C)C(=O)NCc1ccc(-n2nc(C)cc2C)nc1 | 0.53159 |
COc1ccc(CN(C)C(=O)N[C@H](CC(C)C)c2cccnc2)cc1O | O=C1C[C@]2(CCN(C(=O)NCc3ccc(N4CCc5ccccc5C4)nc3)C2)CN1 | 0.530445 |
Cc1ccc(Cl)c2c1NC(=O)[C@]2(O)CC(=O)c1ccc(Cl)s1 | Cc1ncc(CN[C@H]2CCCC[C@]23CCN(C(=O)OC(C)(C)C)C3)o1 | 0.522774 |
CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCCC3 | Cc1cc(NC(=O)N[C@H]2c3ccccc3C[C@H]2O)ccc1C(N)=O | 0.59142 |
C=CC(=O)N[C@H]1CCOc2c(C)cccc21 | COc1ccc(NC(=O)CSc2nnc(NC(=O)c3cc(Cl)ccc3OC)s2)cc1 | 0.50241 |
COc1ccc(S(=O)(=O)N(CCc2cccc(C)c2)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1 | Cc1nn(C)c(Cl)c1C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 | 0.543011 |
COc1ccc(C(=O)N2CC[C@@H](NC(=O)c3cccnc3)[C@H](O)C2)cc1O | Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC[C@H]1CCCO1 | 0.535059 |
CCCc1c(C)nc2nc(=NC(=O)C[C@H]3C=CCC3)[nH]n2c1O | CCOC(=O)c1c(N2C(=O)C[C@@H](S/C(=N/c3ccccc3)NC#N)C2=O)sc2c1CCCC2 | 0.730924 |
O=S1(=O)c2cccc3cccc(c23)N1C[C@@H](O)COCc1ccccc1F | CCc1ccccc1NC(=O)N1CCC[C@]2(CCc3c(O)nc(N(C)C)nc32)C1 | 0.652439 |
CN1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CCN(S(=O)(=O)c2ccccc2)CC1 | CCc1nc2ccccc2c(N2CC[C@H]3OCC(=O)N[C@H]3C2)c1C | 0.564655 |
Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1/C(O)=N/CCc1ccccn1 | Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(I)cc1 | 0.554087 |
COCCCNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1 | CC(C)[C@@H](C)N(Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)C1CC1 | 0.508399 |
O=C1CN(Cc2noc(-c3ccsc3)n2)[C@H]2CCCC[C@@H]2N1 | COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CSc2nnc(C(F)(F)F)n2N)cc1 | 0.58125 |
O=C1C[C@H](N2CCC3(CC2)OCCO3)C(=O)N1c1ccc2c(c1)OCO2 | CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 | 0.56615 |
C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(=O)n(C)c(=O)n1C | O=C1C[C@]2(CCN(C(=O)/C=C/c3ccco3)C2)Oc2ccccc21 | 0.562836 |
CC(=O)NC[C@H]1CC[C@H]([C@@H](NC(=O)c2csc(C)c2)c2ccccn2)CC1 | O=C(Cc1cn2ccsc2n1)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 | 0.520263 |
O=C(O)c1ccc(COc2ccc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)cc2)cc1 | O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(F)cc2)N1Cc1ccco1 | 0.747967 |
C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1cc2ccccc2o1 | COc1ccc(-n2c(=O)[nH]c3cc(-c4nc(-c5ccc(F)cc5)no4)ccc3c2=O)cc1 | 0.655636 |
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1cccnc1 | CCN1C(=O)N/C(=C/c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)C1=O | 0.672859 |
Cc1nn(Cc2ccc(F)cc2)c(C)c1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2C1 | Cc1cc(C)c(NC(=O)COc2cc(C)nc(N3CCc4ccccc4C3)n2)c(C)c1 | 0.595812 |
O=C1/C(=c2/sc3nc(=O)c(-c4ccccc4)nn3c2=O)c2ccccc2N1Cc1ccccc1 | CCc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)CCC4=O)c(C)c3)CC2=O)cc1 | 0.64095 |
CC(C)(C)c1nc(CS(=O)(=O)c2ncc(-c3ccccc3)n2CC(F)(F)F)no1 | O=C1/C(=N\c2cccc(F)c2)c2ccccc2N1CN1CCN(c2ccccc2)CC1 | 0.663926 |
FC(F)(F)c1ccnc(N2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)n1 | C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)c1nc(C(C)(C)C)no1 | 0.602754 |
CN(C(=O)NCC1CCN(CCO)CC1)[C@H](c1ccccn1)C1CC1 | COc1ccc(C(=O)N2CCC[C@H](c3nc4c(nnn4Cc4ccc(C)cc4)c(=O)[nH]3)C2)c(OC)c1 | 0.55704 |
CCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(F)cc3c2C)cc1C | CN(Cc1csc(-c2ccccc2)n1)C(=O)[C@H]1CCOC1 | 0.504782 |
CCCN1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1c(C)cc(C)cc1C | CN(CCN1CCOC(C)(C)C1)[C@H]1CCN(c2ccn(C)n2)C1=O | 0.56413 |
O=C(c1ccccn1)N1CCC[C@H]1CS(=O)(=O)c1ccccc1 | COc1cc(-c2nc3ccc(Br)cn3c2NC2CCCC2)ccc1O | 0.536325 |
C=CC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)cc1 | O=C(Cc1ccc(Cl)cc1)N1CCC([C@@]2(c3ccccn3)NC(=O)N(C[C@H]3CCCO3)C2=O)CC1 | 0.525284 |
COc1cc(C)c(NC(=O)N(Cc2ccc(C)o2)C(C)C)cc1OC | Cc1ccc(Oc2nccn3c(=O)n(CC(=O)Nc4ccccc4C(F)(F)F)nc23)cc1 | 0.606992 |
Cc1oc(CN(C)C(=O)[C@H](C)NS(=O)(=O)c2cccs2)cc1C(=O)O | CCS(=O)(=O)N1CCCc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc21 | 0.58147 |
CC[C@@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@@H]([C@H]2[C@@H]5O)[N@+]3(Cc2ccc(C(=O)OC)o2)[C@@H]1O | Cc1ccc(C)c([C@@H](NC(=O)CN2CCCC2=O)c2cccnc2)c1 | 0.557864 |
CC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)s1 | CCOC(=O)[C@H](C)Sc1nc2c(c(-c3cccs3)c1C#N)CN(C)CC2 | 0.555439 |
CC(=O)Nc1ccc(-c2c(C)noc2C)c2cccnc12 | CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O | 0.529543 |
C[C@@H](OC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)c1c[nH]c2ccccc12 | Cn1cc(CN2CCO[C@@H](Cn3nnc4c(Nc5ccccc5)ncnc43)C2)cn1 | 0.606591 |
CN1CCN(C(=O)c2ccc(C3CCN(C(=O)C[C@H]4CCCO4)CC3)nc2)CC1 | Cc1ccc(COC(=O)c2[nH]c3c(c2C)C(=O)C[C@@H](c2ccccc2)C3)cc1 | 0.606486 |
COC[C@@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Cl | CCCS(=O)(=O)c1ncc(CN(CCO)Cc2ccccc2)n1C[C@H]1CCCO1 | 0.564186 |
C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@H](c2ccccc2)CO1 | COC[C@H]1CCCN(C(=O)c2cccc(-c3ccsc3C(C)=O)c2)C1 | 0.570964 |
CCN(CC)CCCNC(=O)[C@@H](C(=O)c1ccc(F)cc1)n1cc(Cl)ccc1=O | Cc1nn(C)c(C)c1CC(=O)N[C@H](C(N)=O)c1ccccc1 | 0.508731 |
CCOC(=O)c1ccc(N2CCC[C@H]2c2nncn2CC(C)C)nc1 | Cc1nn(-c2ccc(F)cc2F)c(C)c1CC(=O)N1CCCC1 | 0.622503 |
Cc1cc(O)cc(=O)n1CCCC(=O)N[C@@H](C)c1nc2ccccc2n1CC(C)C | Cc1cc(Cl)ccc1N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)S(C)(=O)=O | 0.581124 |
Cc1nc(C(F)(F)F)ccc1C(=O)Nc1c2c(nn1C)CCC2 | COc1ccc(CCN(C(=S)Nc2ccccc2)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 | 0.637681 |
Oc1nc(-c2cccnc2)nc2c1CC[C@]21CCCN(c2noc(C3CCC3)n2)C1 | CN(C(=O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2o1 | 0.610272 |
Cc1nn(CCC(=O)O)c(C)c1NC(=O)c1csc(C(C)(C)C)n1 | N#Cc1cc2c(nc1S[C@H]1CCCC[C@@H]1O)CCCC2 | 0.526767 |
Cc1ncn(-c2ccc(NC(=O)C3(n4cccn4)CCC3)cc2)c1C | CCc1ccc(N(CC(=O)Nc2cc(Cl)ccc2OC)C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 | 0.627955 |
CNC(=O)c1cc(S(=O)(=O)NCc2cccc(CN3CCCCC3)c2)ccc1OC | CC1CCN(C2(NC(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)CC1 | 0.549714 |
CCC(C)(C)NC(=O)[C@H](c1cccc(OC)c1)N(Cc1ccco1)C(=O)CNC(=O)c1cccs1 | CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 | 0.679128 |
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