p1
stringlengths 9
246
| p2
stringlengths 10
231
| similarity
float64 0.09
1
|
|---|---|---|
CCOC(=O)C1(Cc2ccccc2Cl)CCN(S(=O)(=O)c2cccnc2)CC1 | COc1ccc(OCCn2cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c3ccccc32)cc1 | 0.534685 |
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cn(C[C@@H]2CCCO2)cc2c(=O)n(-c3ccccc3)nc1-2 | Cn1cc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cn1 | 0.553279 |
C=CCO[C@@H]1CN(Cc2cccc(OC)c2)[C@@H]2COC[C@@H]21 | N#Cc1cnc2c(Cl)cccc2c1NCc1cc2c(nc1O)CCCC2 | 0.541977 |
O=C(O[C@H](c1cccc(F)c1)c1ccccn1)c1ccc(-n2ccnc2)nc1 | C[C@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCO1)c1ccccc1 | 0.582265 |
O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccccc1OS(=O)(=O)c1ccccc1 | CCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(C)cc1Cl | 0.528846 |
CCC[C@]1(C(=O)O)CCN(Cc2cc(C(F)(F)F)ccc2F)C[C@@H]1O | COc1ccc(C(=O)N2CCC3(CC2)CCn2c(-c4ccccc4)cnc23)cc1 | 0.529809 |
Cc1cc(S)n2ncc(-c3ccccc3)c2n1 | CC[C@@]1(C)Oc2ccc(NS(=O)(=O)c3cc4oc(=O)n(C)c4cc3Cl)cc2O1 | 0.579224 |
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 | CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CC[C@H](n2cncn2)C1 | 0.576271 |
O=C(C[C@H]1CCS(=O)(=O)C1)OCC(=O)N1c2ccccc2CCc2ccccc21 | O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1ccccc1 | 0.630676 |
COc1cc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)c([N+](=O)[O-])cc1OC | O=C(c1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 | 0.601732 |
C=CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C | Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Br)cc1)C1=C(CCCC1=O)N2 | 0.732742 |
O=C(NC[C@@H]1CN(C(=O)Nc2ccccc2)[C@H]2CCN1C2)c1nc(Cl)ccc1Cl | O=C(Nc1nccs1)[C@H](c1cc(Br)cs1)N1CCOCC1 | 0.546053 |
CCn1ncc(CN(C)C(=O)c2nn(C)cc2C(=O)O)c1C | COc1cc([N+](=O)[O-])c(C(=O)NC2CCCCC2)cc1SC | 0.512432 |
CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)c4ccc(OCC(=O)O)cc4)[C@@H]1[C@H]3C2 | CCCn1ccc2ccc(NC(=O)N3CC(=O)N(C)[C@@H](C)C3)cc21 | 0.51693 |
C[C@@H](OC(=O)c1nccnc1N)C(=O)N1CCCc2ccccc21 | COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCC(=O)Nc1ccccc1F | 0.565976 |
CCc1ncc(S(=O)(=O)N2CCC(n3ncc4c3CNC4)CC2)s1 | Cc1nc(N(C)C[C@@H]2C[C@H](F)CN2c2ccncn2)c2cc[nH]c2n1 | 0.595657 |
CCN(CC)C(=O)c1cccc(NC(=O)c2ccccc2OCc2ccncc2)c1 | COc1ccc(C)cc1CC(=O)N1CCC[C@@]2(CCCCCOc3ccccc3C(=O)NC2)C1 | 0.539604 |
CCc1nc2ccccc2n1CC(=O)O[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 | CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccccc1OC(F)F | 0.641566 |
CC(C)(c1ccccc1)c1n[nH]c(=NC(=O)N2CCC[C@@]2(C)CCCO)s1 | CCCCn1cnc2c(SCc3ccccc3)nc(N)nc21 | 0.541935 |
CC(C)(C)OC(=O)N[C@H]1CC[C@H](N[C@@H]2CCCc3cccnc32)CC1 | O=C(Cn1ccn2nc3c(c2c1=O)CCCC3)NCCCc1ccccc1 | 0.613347 |
NC(=O)C[C@@]1(O)CCCN(C(=O)c2ccncc2C(F)(F)F)C1 | Cc1ccc(C(=O)NCC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)s1 | 0.504084 |
C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)s1 | Cc1cc([C@@H]2CCCCN2C(=O)COc2cccc(-n3cnnn3)c2)no1 | 0.519001 |
CCCCNc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 | CCCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N\CC)S2)cc1 | 0.640796 |
COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CSc2nnnn2-c2cccc(C)c2)cc1 | CC(C)(O)[C@@H]1CC[C@](C)([C@H]2CC3(CCN(C(=O)CCc4ccc(Cl)cc4)CC3)CO2)O1 | 0.53125 |
O=C1CCCC2=C1[C@@H](c1ccccc1F)Nc1nonc1N2 | CCOC(=O)c1cc(/C=C\c2ccccc2[N+](=O)[O-])ncc1CC | 0.574665 |
O=C(NCc1ccccc1Cn1cccn1)[C@@H]1Cc2ccccc2O1 | Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(O)c1)N(C[C@@H]1CCCO1)C3=O | 0.643947 |
COc1cnccc1N1CCN(C(=O)Cc2nsc3ccccc23)CC1 | C=CC(=O)N(C)CC(=O)N1CCC2(CC1)CNC(=O)c1ccccc1O2 | 0.523864 |
CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(Cc1ccc(OC(C)C)cc1)c1ccc(C)cc12 | Cn1nc(C(=O)NCc2nc3ccccc3[nH]2)cc1-c1ccccc1Cl | 0.697743 |
Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)c2ccccc2C)cc1 | COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 | 0.631868 |
CS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc(Br)cc3)c2)nn1 | CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2C[C@H](C(=O)OC)Oc3ccccc32)cc1 | 0.529602 |
CC[C@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc([N+](=O)[O-])cc1 | C=CCn1c(=O)c(CN2CCN(c3ccccc3)CC2)cc2cc(C)ccc21 | 0.538373 |
C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](NCc1cc(-c3ccccc3)on1)C2 | Cc1cc(C)cc(N2C(=O)[C@H]3N=NN(c4ccc(Br)c(C)c4)[C@@H]3C2=O)c1 | 0.757028 |
COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)N1CCCCC1 | COc1ccc(-c2noc(Cn3ccn4nc(-c5ccc(C)cc5)c(CO)c4c3=O)n2)cc1 | 0.672727 |
C[C@H](c1ccccc1)N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)c2)CC1=O | COc1ccc([C@@H](C)Nc2cc([C@H]3C[C@@H](O)C3)nc(N)n2)cc1 | 0.54185 |
CNC(=O)c1ccc(CN(C)[C@@H](C)C(=O)N2CCc3ccccc32)cc1 | COc1cn(-c2ccccc2)nc1C(=O)NCc1ccccc1 | 0.50463 |
CC[C@H](C)[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12)C(=O)N[C@@H](C)CO | Cc1nc(C)c(C(=O)OCc2nc(N)c3c(C)c(C)sc3n2)s1 | 0.654434 |
CCCCc1nnc(NC(=O)CN2C(=O)/C(=C/c3ccc(OCC)cc3)SC2=S)s1 | COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nnnn2[C@@H]3c2ccc(C(C)C)cc2)cc1 | 0.701092 |
Cc1cc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)c2c(=O)[nH]n(C)c2n1 | NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1cc2c(cc1Br)OCCO2 | 0.649735 |
COc1cc(C(=O)N[C@@]2(C(F)(F)F)N=C(O)N(c3ccccc3F)C2=O)cc(OC)c1OC | Cc1nnc(-c2ccc(C(=O)N[C@H]3CC(=O)N(Cc4ccccc4C(F)(F)F)C3)cc2)o1 | 0.654043 |
CCc1ccc2oc(-c3ccccc3)c(OCC(N)=O)c(=O)c2c1 | Cc1nn(C2CCOCC2)cc1NC(=O)c1cc(C#N)[nH]c1C | 0.565957 |
CCc1nccn1CC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N(C)Cc2ccccc2)C1 | COc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1S(N)(=O)=O | 0.526256 |
CNS(=O)(=O)c1ccc(CCC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 | CCCc1cc(C(=O)NCc2cc(C)oc2C(F)(F)F)n(C)n1 | 0.540839 |
CC(=O)N1[C@@H]2CN(C(=O)c3cc(-c4cccc(F)c4)no3)[C@@H]3CCC[C@H]1[C@]3(C)C2 | Cn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CCc2ccccc2C1 | 0.591051 |
C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N(C)CC2(O)CCCCCC2)cc1 | CCCCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1(F)CC1)C2 | 0.519717 |
COc1cc(C(=O)N(C)CC(=O)NC(C)(C)C)cc2c1OCCO2 | Cc1cccc(Cn2c(=O)c3c(nc4n3CCN4c3ccccc3)n(C)c2=O)c1 | 0.518595 |
C[C@H]1CN(C(=O)COC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)C[C@H](C)O1 | Cn1nc(-c2ccccc2)c2c1CCN(C(=O)[C@@H](N)Cc1ccccc1)CC2 | 0.530612 |
COc1ccc(C(=O)N(C)[C@H]2CCc3ccccc32)cc1OC(F)F | CNC(=O)[C@@H]1[C@H]2C=C[C@]3(O2)[C@H](C(=O)NCc2ccc(OC)cc2)N(CCOC)C(=O)[C@@H]13 | 0.611169 |
Cc1nc(-c2cccnc2)sc1C(=O)N(C)c1ccc(F)cc1 | O=C(/C(=C/c1cccc(Br)c1)n1ccccc1=O)N1CCCCCC1 | 0.521036 |
CN1CC[C@@]2(CCC1=O)CN(Cc1ccc(C#CCO)cc1)CCN2C | Cc1nc2sc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)c(C)c2c(=O)[nH]1 | 0.523656 |
COc1ccc(NC(=O)CSc2ccc(NC(=O)C3CC3)nn2)c(OC)c1 | CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)OC)c(OC)c1 | 0.528115 |
Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3Cl)c(=O)n(C)c2=O)cc1 | Cn1nc(C(N)=O)c2c1CCN(c1cnc3ccccc3n1)C2 | 0.737056 |
O=C(O)c1cccc([C@@H]2CCCN(C(=O)c3[nH]nc4c3CCC4)C2)c1 | CC1(C)Cc2cccc(OCCNC(=O)c3cc[n+]([O-])cc3)c2O1 | 0.517857 |
C[C@@H](OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(=O)N(C)Cc1cccc(F)c1 | COC(=O)c1ccc2nc(COC(=O)c3cc(C)n(C)n3)[nH]c2c1 | 0.528785 |
COc1ccc(OC)c(-n2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)c1 | CC1(C)CN(CC(F)(F)F)CCN1C(=O)c1cnc(O)c2ccccc12 | 0.515279 |
O=C1CO[C@]2(CCCN(Cc3ccncc3F)C2)CN1c1cccc(F)c1 | CSc1ccc(Cl)c(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 | 0.563396 |
NN1CC(=O)N2[C@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c3C[C@H]2C1=O | C[C@@H]1COc2ccccc2CN1C(=O)[C@H](C)N(C)CC(F)(F)F | 0.607254 |
Cc1cc(NC(=O)c2cnc3c(c2)ncn3C)cc(N2CCN(C(C)C)CC2)c1 | Cc1ccc2c(CN3CCC[C@@H]3c3cccs3)cc(=O)oc2c1 | 0.541935 |
CSC1=NSC2=NC(=O)/C(=C\c3ccc(N(C)C)c(Br)c3)C(=N)N12 | CCOC(=O)C1=CN(CC(=O)Nc2cccc(Cl)c2)S(=O)(=O)N=C1C | 0.605998 |
Cc1c(C(=O)N(C)CCc2nccs2)cnn1C1CCOCC1 | COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N1CCCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1 | 0.619147 |
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OC(C)C)c(Br)c3)C2=O)o1 | Cc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)S(C)(=O)=O)cc1C | 0.663244 |
Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@@H](C)c1nnc(-c2cccs2)o1 | N#Cc1nc(COc2ccccc2)oc1N1CCN(c2cccc(Cl)c2)CC1 | 0.530786 |
Cc1nn(CCO)c(C)c1NC(=O)CCc1cc2n(n1)CCNC2 | O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)N1CCO[C@@H]([C@@H]2CCCO2)C1 | 0.527426 |
O=C(Nc1nncs1)c1cc(-c2ccccc2)nc2ccccc12 | COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)[C@@]31C | 0.644202 |
O=C(c1cc(-c2cccc(Cl)c2)no1)N1CCOc2ncccc21 | CN(CCn1ccnc1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 | 0.501071 |
Cc1cc(-c2noc([C@@H]3CCO[C@H](C)C3)n2)cc(N)n1 | COCC(=O)N1CCN(C(=O)c2ccnn2C)[C@H]2CS(=O)(=O)C[C@H]21 | 0.500549 |
O=C(c1ccc(F)cc1)c1cn(Cc2ccc(Cl)cc2)c2cc3c(cc2c1=O)OCCO3 | CCc1cccc(CC)c1NC(=O)c1c(C)nc2ccc(C)cn12 | 0.605839 |
O=C(Cc1ccccc1)Nc1ccnn1C1CCN(C2CCCCCCC2)CC1 | Cc1ccc(C)c(C(=O)CN2N=C(c3ccccc3)c3ccccc3S2(=O)=O)c1 | 0.520343 |
C[C@@H]1CCc2[nH]nc(C(=O)NCc3nc(N)n[nH]3)c2C1 | C[C@H](NC(=O)[C@@H](C)Sc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)c1ccccc1 | 0.578548 |
CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)S1 | O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCC[C@](O)(c2ccc(F)cc2)CC1 | 0.562712 |
CCOc1ccc2nc(NC(=O)c3c([N+](=O)[O-])cnn3CC)sc2c1 | Cc1nccn1CC(=O)N1CCC[C@]12CCCN(CCO)C2=O | 0.581179 |
C[C@@H]1CN(C(=O)c2ccc(COc3ccccc3)o2)CCC1=O | Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccc(N(C)C)cc1 | 0.551795 |
CS(=O)(=O)Nc1cccc(CNC(=O)c2ccc(COc3ccccc3)o2)c1 | CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-n1cccc1 | 0.509455 |
CCOc1c(Cl)cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)cc2)cc1Cl | Cc1nc[nH]c1CN1CCNC[C@@H]1c1ccc(OC(C)C)cc1 | 0.526953 |
CCc1nnsc1C(=O)N1CCC[C@H]1Cn1cc(C)cn1 | O=C([C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)c1ccccc1)N1CCCC1 | 0.63278 |
COC[C@H](C)n1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 | Cc1ccc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)cc1[N+](=O)[O-] | 0.561688 |
Cn1ccc2ccc(C(=O)N3C[C@@H]4COC(=O)[C@@H]4C3)nc21 | COC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1ccc2c(c1)OCO2 | 0.692 |
CC(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)C)[C@H]1c1cccnc1 | OC[C@@]12CN(Cc3ccccc3F)C[C@@H]1CN(c1ncnc3[nH]cnc13)C2 | 0.557794 |
Cc1ncsc1CN(C[C@H]1CCNC1)C(=O)[C@@H]1CNC(=O)C1 | CC[C@@]1(c2cccc(-c3ccnn3C)c2)C2=CNNC2=NC2=C1C(=O)N[C@@]1(CCCOC1)C2 | 0.514342 |
COc1ccc(-c2ocnc2C(=O)Nc2ncc(-c3cccnc3)s2)cc1 | CN(C(=O)c1nnc2c(F)cccc2c1O)[C@@H]1CCCC[C@@H]1c1ccccc1 | 0.634221 |
COc1ccccc1OCCNC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 | Cc1nn(-c2ccccc2)c(C)c1CN1C[C@@H]2OCCN(C)[C@H]2C1 | 0.596174 |
Cn1nc(C(=O)N2CCC(C(N)=O)CC2)c2ccccc2c1=O | CC(C)Cn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1cccnc1 | 0.544968 |
Cc1nc([C@@H]2COCCN2C(=O)C2=CCCC2)cs1 | CCOC(=O)C1=C(COC(=O)CCCNC(=O)c2ccco2)NC(=O)N[C@@H]1c1ccc(C)o1 | 0.609231 |
C=CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(OC)c(F)c1 | COc1ccc(CCNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 | 0.523757 |
CC[C@@H](OC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(C(C)(C)C)cc2)C1)C(=O)c1ccccc1 | CCn1nc(C)cc1C(=O)N1Cc2ccnn2[C@H](CC(=O)NC)C1 | 0.577495 |
O=C1[C@@H]2C3C=CC([C@@H]2C(=O)N1c1nccs1)[C@@H]1C(=O)N(c2nccs2)C(=O)[C@H]31 | COc1cc(Br)cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c1O | 0.515254 |
Nc1c(C(=O)NCCc2ccccc2F)c2nc3ccccc3nc2n1-c1cccc(Cl)c1 | O=C(N1CCN(c2cnccn2)CC1)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@@H]1N2 | 0.662258 |
COc1cc(OC)c([C@H]2C[C@H](c3ccc4c(c3)OCO4)Nc3nnnn32)cc1OC | COc1cc(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)cc(OC)c1OC | 0.710499 |
CC1CCN(C(=O)[C@H]2CC(c3ccccc3F)=NO2)CC1 | COc1nc2c(cc1C(=O)NCc1nnc3n1CCC3)CCC2 | 0.515344 |
O=C1CC[C@@H](C(=O)N2CC[C@H](c3ccccc3Cl)S(=O)(=O)CC2)CN1 | COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccc2c(c1)CCCC2 | 0.545353 |
CO[C@H]1CCN(Cc2nc(-c3ccc4c(c3)OCO4)no2)[C@@H](C(=O)O)C1 | Cn1c(SCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)nnc1[C@@H]1CCS(=O)(=O)C1 | 0.637022 |
Cc1ccc(Cl)cc1NC(=O)CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 | Cc1cc(OCC(=O)Nc2cccc3ncccc23)ccc1Cl | 0.531361 |
c1ccc(-n2ncc3c(N4CCCOCC4)ncnc32)cc1 | CCOc1cc(-c2cc(-c3cc(Br)c(O)c(OCC)c3)nn2CCO)ccc1O | 0.535059 |
CCCN1C(=O)[C@](O)(CC(=O)c2ccc(OC)cc2OC)c2cc(Cl)ccc21 | CCOc1nc(C)ccc1C(=O)N1CCc2ccc(OC)cc2CC1 | 0.611168 |
N#CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 | CCc1ccc([C@@H](NCC(=O)Nc2cccc(C)c2)c2cccs2)cc1 | 0.514501 |
CC(C)[C@H](Sc1nnc(C2CCCCC2)o1)C(=O)NCc1cccnc1 | Cc1ccc(C)c(C(=O)Cn2nc(N)n(Nc3cccs3)c2=S)c1 | 0.516164 |
CC12CN3CC(C)(CN(C1)C3c1ccco1)C2/N=C1/C(=O)Nc2ccccc21 | C[C@H]1CN(C(=O)c2cccc(C(=O)O)c2)C[C@@H]1N1CCOCC1 | 0.503378 |
COCCn1cnnc1CN(C)Cc1ccc(OCc2ccc(C(=O)O)o2)c(OC)c1 | COc1ccccc1/N=C1\S/C(=C2\C(=O)Nc3ccccc32)C(=O)N1c1ccccc1OC | 0.636273 |
COc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2F)n3C)cc1OC | CN1C(=O)[C@H](CC(=O)NCc2cccnc2N2CCCCCCC2)N(C)C1=O | 0.636089 |
Cc1cccc(C)c1NC(=O)CN(C)C(=O)C[C@H]1OC(=O)c2ccccc21 | CS(=O)(=O)N(CC(=O)Nc1ccc(CC#N)cc1)c1cc(C(F)(F)F)ccc1Cl | 0.538198 |
COc1ccc(OCCNC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 | CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2oc(-c3ccccc3)nc2C)C1 | 0.510571 |
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