p1
stringlengths 9
246
| p2
stringlengths 10
231
| similarity
float64 0.09
1
|
|---|---|---|
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCSc3ncn[nH]3)CC2)cc1 | CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 | 0.515763 |
COc1ccc(-c2cc(CNC(=O)c3ccccc3F)on2)cc1 | COc1ccc2[nH]c(C(=O)NCc3cccnc3N(C)C)c(C)c2c1 | 0.510957 |
Cc1cccc(NC(=O)CCCC(=O)N2[C@H](Cc3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)n1 | C[C@@H]1c2cccn2CCN1CC(=O)N1CCN(C(=O)c2cccs2)CC1 | 0.560573 |
O=C(c1ccccc1Br)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 | Cc1cc(C)cc(OCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)c1 | 0.503589 |
C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCc2ccccc21 | Cc1nn(C)c2sc(C(=O)N(C)CC(=O)Nc3cccc(F)c3)cc12 | 0.513274 |
Cn1c(=O)n(CC(=O)NCCc2nnc3ccccn23)c2ccccc21 | CCc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c(=O)c2C#N)cc1 | 0.508889 |
CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cc(OC)ccc2C)CC1 | CCOC(=O)Cn1/c(=N/C(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2cccc(F)c21 | 0.670744 |
CN1CCC2(CC1)c1nc[nH]c1CCN2S(C)(=O)=O | CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CCc1ccc2c(c1)OCO2 | 0.54719 |
O=C(O)c1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl | COc1ccccc1NC(=O)N(Cc1nnc2n1CCCCC2)c1cccc(Cl)c1 | 0.507883 |
COc1ccnc(N2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)n1 | Cc1ccc(-n2cc(C(=O)N(C)Cc3cnn(C)c3)c(-c3ccccc3)n2)cc1 | 0.544681 |
O=C(O)CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC1=S | COc1cc(CN2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc(OC)c1 | 0.598335 |
COC(=O)C1=C(CN2CCN(c3cc(Cl)ccc3C)CC2)NC(=O)N[C@H]1c1cccc(OC)c1 | CCN(C(=O)c1cccc(C(=O)N(CC)c2ccccc2OC)n1)c1ccccc1OC | 0.575726 |
COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(F)c(Cl)c3)CC2=O)cc1 | COc1nc(Oc2cccc(/C=N/Nc3c(F)c(F)c(F)c(F)c3F)c2)nc(N2CCCCC2)n1 | 0.505855 |
CCOC(=O)Nc1ccc2c(c1)nc1n2CCN(c2ccc(OC)cc2)C1 | CCc1c(C)sc2nc(SC[C@@H](O)C[C@]3(O)CCOC3)n(-c3cccc(C)c3)c(=O)c12 | 0.677645 |
CCc1cccc2c(C(=O)CSc3nnnn3C3CCCC3)c[nH]c12 | CCOC(=O)[C@H]1NN=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 | 0.568966 |
Cc1cc(N2C[C@H](CO)[C@@H](CO)C2)n2nccc2n1 | O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CC=C(c2ccccc2)CC1 | 0.535011 |
Cc1ccc(F)cc1C1(c2noc(C3CCN(C(=O)C(C)C)CC3)n2)CC1 | Cc1ccc(Cn2ncc3c(C(=O)N4CCN([C@H]5CCS(=O)(=O)C5)CC4)cc(C)nc32)cc1 | 0.643514 |
c1cn2[nH]c(=N[C@@H]3CCN(Cc4cscn4)C3)ccc2n1 | COc1ccc(C(=O)Oc2cc3oc(=O)c4c(c3cc2Cl)CCC4)cc1 | 0.52221 |
COc1ccc(/C=C2/CN(C)Cc3c2nc2ccccc2c3C(=O)O)cc1 | COc1ccc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)cc1OC | 0.628834 |
Cc1cn2c(=O)c(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)cnc2s1 | COc1ccc([C@H]2CCCN2CCOc2ccccc2C(C)=O)c(OC)c1 | 0.555202 |
COc1ccc(CCN(C)C(=O)C[C@@]2(c3ccccc3OC)CC(=O)N(C)C2=O)cc1OC | CCOC(=O)[C@@H]1[C@@H]2NC(=S)N(c3cccc(C)c3)[C@@]1(C)Oc1ccc(Cl)cc12 | 0.713722 |
O=C(N[C@H]1[C@@H]2CNC[C@@H]21)N1Cc2cnn(-c3ccccc3)c2C1 | CCCN(CCC)c1nc2ccccc2n2c(C)nnc12 | 0.570513 |
O=C(O)C[C@@H](Cc1cn(CCCCCCO)nn1)NC(=O)c1cc(-c2cc[nH]n2)ccc1F | C=C(C)COc1ccc2c(C)c(CCC(=O)N[C@H]3CS(=O)(=O)C[C@H]3O)c(=O)oc2c1 | 0.626168 |
O=C(NC[C@@H]1CCCN(C(=O)NCC[C@H]2CCOc3ccccc32)C1)Nc1cccc(F)c1 | O=c1[nH]c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2scc(-c3ccc(Cl)cc3)c12 | 0.544586 |
Cc1cc(C)c(NC(=O)CN(C)C(=O)CNC(=O)c2cc(Cl)ccn2)c(C)c1 | Nc1ncnc2c1sc1nc3c(cc12)CCC3 | 0.52 |
COC(=O)C1=C(C(=O)OC)[C@@]2(C)O[C@H]1c1ccccc12 | O=c1ccc(OCc2nnc(S)o2)nn1Cc1ccc(Cl)cc1 | 0.526427 |
COc1cc(NC(=O)c2ccnn2C2CCCC2)ccc1C(=O)O | COc1cc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1OCC(=O)Nc1ccccc1C | 0.584257 |
O=C(NCc1cc[nH]n1)[C@H]1Cc2cc(Cl)ccc2O1 | CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(CCCC2=O)N1 | 0.581568 |
O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(F)c1 | C[C@@H]1Cc2c(C(=O)N3CCCN(C4CC4)CC3)nn(C)c2[C@H](C)O1 | 0.582816 |
COc1ccccc1Oc1coc2cc(OC(=O)N(C)C)ccc2c1=O | CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OC | 0.593812 |
CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(-c2nnnn2C)c1 | COc1ccc(Cn2cc(C(=O)NCC(=O)c3ccc(OC)cc3)c3ccccc3c2=O)cc1 | 0.547486 |
CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)Nc1nc2c(C#N)cccc2n1C | CC[C@H](C)N(C(=O)Cn1nc(C)c(C)c(C#N)c1=O)[C@@H](C)CC | 0.5919 |
Cc1c(-c2ccccc2)sc(NC(=O)Cn2c(=O)oc3ccccc32)c1C(=O)N1CCOCC1 | O=C1C[C@H](C(=O)NCCOc2cccc(C(=O)O)c2)C2(CCCC2)O1 | 0.590816 |
COc1cccc(C(N)=O)c1OCC(=O)N1CCCc2ccccc21 | C[C@H]1CC(=O)c2cnn(-c3nc4ccccc4[nH]3)c2C1 | 0.571429 |
C#CCNC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O | CSc1ccc(S(=O)(=O)NCCOc2ccc(F)cc2)cc1NC(=O)C(C)C | 0.516437 |
COc1ccc(NC(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1Cl | CCc1c(C)sc(NC(=S)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1C(=O)OC | 0.606157 |
CN1C(=O)C[C@@H](C(=O)NCc2ccc(F)cc2)c2ccccc21 | CNC(=O)[C@@]1(COC)CCCN1C(=O)c1ccc(OC2CCC2)cc1 | 0.554324 |
COc1ccc2c(CC(=O)N3CCC(c4nnc5ccccn45)CC3)coc2c1 | O=C(CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(O)n1)NCc1ccco1 | 0.537155 |
CCNc1nc(C)c(C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)s1 | COC(=O)[C@]1(C)O[C@]1(C)c1ccccc1F | 0.590722 |
CN(C)C(=O)[C@@H](Sc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccc1 | O=[N+]([O-])c1cc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)ccc1Cl | 0.574819 |
Cc1csc(NC(=O)Cc2cc(-c3cc4ccccc4o3)on2)n1 | C[C@@H]1c2ccsc2CCN1C(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 | 0.544102 |
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4nc(C)c(C)c4C)nn3)cc2)cc1 | Cc1ccc(OCC(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCC3)cc1C | 0.684476 |
COc1cc(/C=C(\c2nc(C)cs2)c2nc3ccccc3n2C)cc(OC)c1 | O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(=O)n(Cc2ccccc2Cl)c1 | 0.556034 |
O=C(CSc1ncc(CO)n1CC(=O)NC1CCCC1)Nc1ccc2c(c1)OCO2 | Cc1ccc2[nH]c(C(=O)NC[C@H]3C[C@@H](C)N(C(=O)C4CCCC4)C3)cc2c1 | 0.553829 |
CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(Cc2ccc(OC)cc2)CC3)C1=O | COc1cc2c(cc1OC)CN(C(=O)CCNC(=O)c1ccccc1Cl)CC2 | 0.536306 |
CCOC(=O)CN1C(=O)[C@]2(OC(c3ccc(O)cc3)=NN2C(C)=O)c2cc(Br)ccc21 | COc1cc(CNC(=O)[C@H]2COc3ccccc3O2)cc(OC)c1OC | 0.533597 |
CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2ccc(CNC(C)=O)cc2)C1 | COc1cccc([C@@H]2CNC(=O)[C@@H]2C(=O)O)c1OC | 0.501129 |
CS(=O)(=O)N(CC(=O)N1C[C@H](C(=O)NCCc2ccccc2)Oc2ccccc21)C1CCCCC1 | CCN(CC)[C@@H](CNC(=O)c1cnc(-c2cnn(C)c2)s1)CC(C)C | 0.531915 |
CO[C@]1(c2nnc(CCc3ccccc3C)o2)CCOC1 | O=C(c1sc2cccc(F)c2c1Cl)N1CC=C[C@@H]1CO | 0.569717 |
CCCC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NCC(C)C | CN1CCC[C@H](CSc2nnc(-c3cccnc3)n2C)C1=O | 0.510563 |
OC1=Nc2nc(N3CCOCC3)sc2[C@@H](c2ccccc2Br)C1 | Cc1cnnc(N2CCN(c3ncccc3C(N)=O)CC2)c1C | 0.561001 |
Cn1c2c(c(=O)[nH]c1=O)[C@](NS(=O)(=O)c1ccc(N)cc1)(C(F)(F)F)C(=O)N2 | O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1 | 0.655721 |
C[C@H](NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1)c1ccccc1 | Cc1nc2n(c1C)CCN(CC(=O)N1c3ccccc3CC[C@@H]1C)C2 | 0.6013 |
CN1C(=O)C[C@@H](CNC2CCN(c3ccccc3)CC2)[C@@H]1c1cnn(C)c1 | Cc1ccc(C)c(OC[C@H](O)Cn2cnc3c(N4CCOCC4)ncnc32)c1C | 0.551255 |
C[C@@H]1CN(C(=O)c2cnc3n2CCCC3)C[C@H](C(=O)O)O1 | O=C(c1ccc2c(c1)CCO2)N1CCC2(CC1)CNc1ccccc12 | 0.577922 |
COc1ccc(-c2ccc(/C=N/N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@@H]6C[C@H]56)[C@@H]4C3=O)o2)c([N+](=O)[O-])c1 | Cc1cnc(N2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)nc1N | 0.503205 |
CCC(=O)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@@H]1CCCO1 | CC(=O)N1C[C@H](C)CN(C(=O)c2oc(C)nc2C)c2ccccc21 | 0.55235 |
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1Cc1cccnc1 | C=Cc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(CCOC)C3=O)c1 | 0.567951 |
Cc1ccc([C@@H]2N(C)C(=O)c3ccccc3N2C)cc1 | COc1ccc(C(C)=O)cc1Cn1c(=O)oc2ccc(Cl)cc21 | 0.567132 |
C=CCc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(OCC)c3)C2=O)ccc1OC | COc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)cc2OC)cc1 | 0.701245 |
COc1ccccc1-n1c(SCC(=O)NCc2ccco2)nc2ccsc2c1=O | COc1cccc(C(=O)N2CCC[C@@H](N)[C@@H]2c2ccccc2F)c1 | 0.645295 |
COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3nc(C)c(C)s3)C2=O)cc1OC | Cn1cnc2cc(C(=O)N3CCC([C@@H](O)CO)CC3)ccc2c1=O | 0.553949 |
O=C(OCc1cc(-c2ccccc2)on1)[C@@H]1CC(=O)N(c2ccccc2)C1 | CCOc1ccc(-n2c(=O)c3ccc(Cl)cc3n3c(COC(=O)[C@H](C)CC)nnc23)cc1 | 0.619243 |
O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1CCN1C(=O)CS[C@H]1c1cccc([N+](=O)[O-])c1 | COc1cccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2)c1OC | 0.666328 |
NC(=O)[C@@H]1CCCN1C(=O)c1cccc2c1OCO2 | CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1Cl | 0.560588 |
Cc1ccc(C(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C2)cc1C | O=C(Nc1ccc(Cl)cc1F)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 | 0.649793 |
C=CCN1C(=O)[C@@]2(SC1=S)[C@@H](c1ccncc1)CN(C)[C@]21C(=O)N(C)c2ccc(Cl)cc21 | Cc1ccccc1OCC(=O)N1N=C(C(F)F)C[C@@]1(O)C(F)F | 0.735812 |
Cc1cnc(C2(C)CCN(C(=O)c3cc(F)ccc3F)CC2)s1 | Cc1c(C(=O)Nc2ccc(I)cc2Cl)oc2c1C(=O)CCC2 | 0.525134 |
C[C@@H]1CCN(C(=O)C2=CC(c3ccco3)=NS(=O)(=O)N2C)[C@@H]2CCCC[C@@H]12 | O=C1CCCN1CCCNc1ncnc2scc(-c3ccccc3)c12 | 0.629016 |
C[C@H](C(=O)N1CCCC1)n1c(=O)n(CC2CC2)c2ccc(C(=O)O)cc21 | O=C(N[C@@H]1CCN(Cc2cccnc2)C[C@H]1O)c1cccc(-n2cnnc2)c1 | 0.526602 |
Cn1c(=O)[nH]c(=O)c2c1nc1n2CCCN1N | COCCNC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccco1)CC2=O | 0.724068 |
COc1cc2c(c([N+](=O)[O-])c1)N[C@H](C(C)C)[C@H]1CC=C[C@@H]21 | O=C(O)[C@@H]1COCCN1C(=O)c1cc2c(F)cc(Br)cc2[nH]1 | 0.596891 |
COCCOCC(=O)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)cc2)C1 | CCc1cccc(C)c1NC(=O)CCc1nnc2s/c(=C/c3cccc4ccccc34)c(=O)n12 | 0.580311 |
O=C(N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O)c1cn(Cc2ccccc2)nn1 | NC(=O)c1cnn2c1C[C@H](CNCc1cccc3[nH]ccc13)CC2 | 0.566921 |
Cc1ocnc1C(=O)N1CCC2(CC1)CN(C[C@H](C)c1ccccc1)C(=O)O2 | CS(=O)(=O)CCCNC(=O)c1cc2c(s1)CCCCCC2 | 0.504983 |
Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(=O)[C@H]2CC[C@H](C)CC2)n1 | CC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@@H](c1ccccc1)N2 | 0.567258 |
CC(=O)N[C@@H](c1nccs1)C1CCN(C(=O)c2c(C(C)C)noc2C)CC1 | CC(C)CCn1c(N/N=C\c2c(F)cccc2Cl)nc2c1c(=O)[nH]c(=O)n2C | 0.663276 |
CCOC(=O)[C@@H]1CC(=O)N(c2ccc(N3CCN(C(=O)c4ccc(C)cc4)CC3)cc2)C1 | CC(=O)N1C[C@H](C(=O)N2CCC[C@@H]3CCNC(=O)[C@H]32)Oc2ccccc21 | 0.605727 |
C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccc(-n2ccnc2)cc1 | Cc1ccc(S(=O)(=O)N(CC(=O)NC(C(C)C)C(C)C)c2ccc(C)c(C)c2)cc1 | 0.571429 |
C[C@@H](c1nnc(-c2cccs2)o1)N1CCC[C@@H]1Cn1cncn1 | C#CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC | 0.578669 |
CC[C@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1-c1cc(C)ccc1C | COc1ccc(NC(=O)CSc2ccnc3c2c(=O)n(C)c(=O)n3C)cc1OC | 0.668029 |
C[C@@H]1CCN(CCCN2C(=O)CNC2=O)c2ccccc21 | Cc1noc2nc(-c3cccs3)cc(C(=O)N3CCC[C@H](c4nnc5ccccn45)C3)c12 | 0.534553 |
Cc1ccc(S(=O)(=O)c2cc3c(=O)n4cccc(C)c4nc3n(CCCOC(C)C)c2=N)cc1 | COc1cccc(-c2nn3c(-c4ccc(F)cc4)nnc3s2)c1 | 0.615927 |
C[C@@H](c1nc(N2CCCCC2)c2ccccc2n1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 | COc1ccc(CN2C[C@@H]3C[C@H](c4cccs4)N4CCC[C@]34C2)cc1 | 0.630753 |
Cc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccccc32)cc1 | CCOc1ccccc1N(CC(=O)N[C@@H](C)c1cc(C)c(C)cc1C)S(C)(=O)=O | 0.587027 |
CN1CCN(C(=O)C[C@H]2CN(C(=O)c3cncs3)CC[C@@H]2Oc2ccc(Cl)cc2)CC1 | CC1(C(N)=O)CCN(C(=O)c2ccnc(Cc3ccccc3F)c2)CC1 | 0.501788 |
O=S(=O)(c1ccc(I)cc1)N1CCS[C@H]1c1ccco1 | Cc1nn(C)c(=O)c(C(=O)N2CCCCCCC2)c1C | 0.552854 |
C=CC(=O)N[C@@H]1CCC(=O)N[C@H]1c1ccnn1CC | COc1cccc(C(=O)N(C)[C@@H]2CCCN(C(=O)Cn3cncn3)CC2)c1 | 0.521143 |
CCOc1ccc2[nH]c(=O)c(CN(CCCO)C(=S)NCc3ccco3)cc2c1 | COc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1C | 0.520278 |
O=C(Nc1ccc2c(c1)OCO2)Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1 | CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1C | 0.548246 |
CC(C)NC(=O)CN1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 | COC(=O)C1=C(C)N=c2s/c(=C\c3c(C)[nH]c4ccc(C)cc34)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 | 0.763029 |
CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(OC)cc3)[C@](O)(C(F)(F)F)[C@H]2C1 | CC(C)(C)c1csc(NC(=O)C2(c3ccccc3)CCOCC2)n1 | 0.574359 |
O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)NCc2ccc(F)cc2)Nc2ccccc21 | Cc1nnc(-c2ccc(C(=O)N(C)C[C@@]3(C)CCN(C)C3)cc2)c2ccccc12 | 0.578652 |
CC(=O)N1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 | O=C(NC[C@@H]1CC2(CCOCC2)CN1C(=O)c1ccc2c(c1)COC2)c1cncnc1 | 0.51766 |
CCN(C(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1C)[C@H]1CCS(=O)(=O)C1 | Cc1ccc(-c2nnn(CC(=O)N(Cc3ccco3)[C@H](C(=O)NC(C)(C)C)c3ccc(F)cc3)n2)o1 | 0.715306 |
CO[C@@H]1CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]2[C@@H]1CO | Cc1ncc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cn1 | 0.639413 |
Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(C2CCCCC2)cc1 | O=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1)N1CCc2ccccc21 | 0.57766 |
C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc3[nH]c(=O)[nH]c3c1)CS2 | CCc1c(NC(=O)N2CC[C@@H](c3nc[nH]n3)C2)cnn1-c1ccc(Cl)cc1 | 0.623003 |
COc1ccccc1C(=O)N1CCN(c2nc(C)cc(N3CCN(C)CC3)n2)CC1 | O=C(c1cc2ccccc2oc1=O)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 | 0.625652 |
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1-c1cccc2ccccc12 | C[C@](O)(CNCc1cc2n(n1)CCCO2)C(F)F | 0.515369 |
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