p1
stringlengths 9
246
| p2
stringlengths 10
231
| similarity
float64 0.09
1
|
|---|---|---|
Cc1ccccc1-n1ncc(C(=O)N2CCCNCC2)c1C | CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc2nnnn2c1 | 0.516166 |
Cc1ccc(-c2nnc3s/c(=C/c4cccc(Br)c4)c(=O)n23)cc1 | COc1cccc([C@H](CNC(=O)c2cccc(S(=O)(=O)N(C)C3CCCCC3)c2)N2CCCC2)c1 | 0.598953 |
CC1CCN(Cc2ccc(CNC(=O)[C@H](NC(=O)c3ccco3)C(C)C)cc2)CC1 | CN1C=N[C@H]2[C@H]1C(=O)N(CCn1c(=O)c3c(ncn3C)n(C)c1=O)C(=O)N2C | 0.501548 |
O=C(NCCc1cnn(-c2ccccc2)c1)N[C@H]1CCCCNC1=O | CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](CC(=O)O)c2cccs2)ccc1OC | 0.503363 |
C[C@@H](c1nnc(SCn2nnc3ccccc3c2=O)n1-c1ccc(Cl)cc1)N(C)C | CC1(NC(=O)c2ccccc2)CN(C(=O)c2cccc3c2OCO3)C1 | 0.541053 |
CCn1c(C)cc(O)c([C@H](c2ccc(Cl)cc2)N2CCN(C)CC2)c1=O | C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O | 0.598746 |
CCOc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc(Cl)c1OC | CN1C[C@@]2(CCN(C(=O)c3[nH]nc(N)c3Cl)C2)OC1=O | 0.632845 |
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](C)C2)[C@H]1c1ccco1 | COc1c(C)cccc1C(=O)N1CCCC[C@@H]1c1nc(C)ncc1-c1ccncc1C | 0.830207 |
COc1ccnc(N2CCCN(c3nc(C4CC4)ns3)CC2)n1 | Cc1ccccc1C1(C(=O)N2CCC[C@@](O)(c3cnn[nH]3)C2)CCC1 | 0.516269 |
COc1ccc(C[C@@]2(CCC(=O)NCCc3c[nH]c4ccccc34)CCC(=O)N2)cc1OC | Cc1ccccc1NC(=O)CSc1nc2ccc(N3C(=O)[C@@H]4[C@H](C3=O)[C@H]3C=C[C@H]4C3)cc2s1 | 0.583957 |
COc1cc(OC)cc([C@@H](NC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)c2nccn2C)c1 | Cn1c(=O)c2ccccc2n2c(Cn3cnc([N+](=O)[O-])c3)nnc12 | 0.622015 |
C[C@@H]1CN(S(=O)(=O)c2ccccc2)[C@@H](C)N1C(=O)N1CCOCC1 | COc1cccc(-c2cc(C(F)(F)F)nc(N3CCN(c4ccccc4)CC3)n2)c1 | 0.512987 |
CCc1cc(N2CCO[C@@H](c3ccc(Cl)s3)C2)nc(-c2ccncc2)n1 | O=C(Cn1ncc2ccccc21)N1CCC(c2nc(-c3ccccn3)no2)CC1 | 0.656576 |
Cc1nc2ccc(NC(=O)Cc3csc(Cc4ccccn4)n3)cc2s1 | Cc1nc(CCNC(=O)[C@@H]2CCCN(c3ccccn3)C2)cc(=O)[nH]1 | 0.513143 |
CN(C)CCN(Cc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 | O=C(c1c(O)cnc2ccccc12)N1CCCc2ccccc21 | 0.592357 |
CCc1noc(NC(=O)[C@H](Cc2ccccc2)N(C)C)c1C | CCOC(=O)c1c(NC(=O)C(=O)NCCN(C)C)sc2c1CCC2 | 0.564464 |
Cc1ccc2c(c1)/C(=C1/SC(=S)N(CC(=O)O)C1=O)C(=O)N2 | O=C(Cn1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c2ccccc21)N1CCOCC1 | 0.730924 |
COc1ccc([C@@]2(C)NC(=O)N(NC(=O)c3cncc(Br)c3)C2=O)cc1 | Cc1ncc2c(n1)[C@]1(CCCN(C(=O)CCCc3cccs3)C1)CC2 | 0.640737 |
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@@H](C)CN(C)C)C2)cc1 | CC[C@H]1CCc2c(sc(NC(=O)C[C@H](C)CC(=O)O)c2C(=O)NC2CCCCC2)C1 | 0.503808 |
O=C(Nc1onc2c1CCCC2)c1cnc(O[C@@H]2CCOC2)c(Cl)c1 | C=CCOc1ccc(/C=c2/sc3ncnn3c2=O)cc1 | 0.599156 |
O=C(Nc1nc2c(s1)CCCCC2)[C@H]1CCCN(c2ccc(Cl)nn2)C1 | Cc1ccc2c(-c3ccc(C(=O)NC[C@@H]4CN(C)C(=O)CO4)cc3)cccc2n1 | 0.51634 |
CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O | CC1(C)C[C@H](NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)c2ccccc2O1 | 0.714571 |
CCOC(=O)c1c(/N=C2/S/C(=C/C(=O)OC)C(=O)N2c2ccccc2)sc(C)c1C | CCn1nc(C)c(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)c1C | 0.579858 |
Cn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 | CN1CCC[C@H](CNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1 | 0.540929 |
COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(=O)c1cccs1)N1c3ccccc3C=C[C@@H]21 | O=C(NCC[C@H]1COc2ccccc2O1)c1cccc2c1OCC2 | 0.586694 |
Cc1ccc2c(NC(=O)C3CN(C(=O)c4ccc(F)c(F)c4)C3)cccc2n1 | CC(=O)c1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1 | 0.558568 |
O=[N+]([O-])OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O | CCc1cc2cccc(C)c2nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1OC | 0.653415 |
CN1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(NC(=O)/C=C/C(=O)O)cc23)CC1 | Cc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2ccncc2)nn1 | 0.557714 |
CC(C)Oc1cccc2c1c(NC(=O)CN(C)Cc1cccnc1)nn2C | O=C(OCc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)c1ccccc1-n1cnnn1 | 0.642933 |
C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccc2c(c1)CCC2 | COc1cc(C(=O)N2C[C@H](OC)C[C@H]2c2n[nH]c(C)n2)cc(C)n1 | 0.644261 |
CCc1csc(Cn2ccnc2-c2ccc(C)cn2)n1 | Cc1cc(-c2nn3c(CN4CCOCC4)nnc3s2)c2ccccc2n1 | 0.537408 |
COc1ccccc1OCCNC(=O)c1cnc(SC)n1-c1ccccc1 | Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1cccc(C)c1C | 0.503964 |
O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC1Cc2ccccc2C1 | COc1ccc(Br)c(C(=O)OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c1 | 0.626316 |
C[C@H](NCc1ccc(Cl)cc1)c1ccccc1 | C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 | 0.530055 |
CCN1CCN(C)C2(CCN(C(=O)c3ccc(OC)cc3OC)CC2)C1=O | CCOc1ccc(S(=O)(=O)/N=C2/C=C(Nc3cccc(C)c3)C(=O)c3ccccc32)cc1 | 0.59893 |
COCCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc(OC)cc1OC | Cc1ccc(NC(=O)COc2ccc3ccccc3c2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 | 0.581741 |
COc1ccccc1OCCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC[C@H]2C)c1 | CCN(CC)c1ncccc1[C@@H]1CCCCN1CC(C)C | 0.501119 |
O=C1CCCC[C@]2(CN(Cc3ccc(N4CCCCC4)cc3F)C[C@H]2c2ccccn2)N1 | CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(C)ccc3OC)cc21 | 0.652807 |
Cc1cccc(C(=O)N[C@@H](c2ccccc2)c2nccn2C)c1 | COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC[C@H]1C(=O)NCCc1c[nH]c2ccccc12 | 0.513485 |
COC(=O)c1ccc(OC)c(NC(=O)NC[C@H](c2ccc(C)o2)N(C)C)c1 | Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)N3CCN(c4ccccc4)CC3)cs2)cc1 | 0.544643 |
C[C@@H](c1cc(-c2ccccc2)[nH]n1)N(C)C(=O)c1cn(Cc2ccccc2)cc(C(=O)NC2CC2)c1=O | COc1coc(C(=O)NCc2nnc3ccccn23)cc1=O | 0.61233 |
Cc1cc([C@H](C)NC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)c(C)o1 | C[C@H]1C[C@H](C)CN(c2nc3ccccc3nc2[C@H](C#N)C(=O)NCCc2ccccc2)C1 | 0.500555 |
Cc1c(C(=O)NCc2ccc(OC(F)(F)F)cc2)sc2nc3n(c(=O)c12)CCC3 | Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)O | 0.547595 |
CC1CCC2(CC1)NC(=O)N(Cc1cc(Cl)c3c(c1)OCCO3)C2=O | CCC(=O)NC[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(CCOC)c1 | 0.586696 |
CC(C)c1ccc(OCC(=O)NCc2cc(-c3ccc(F)cc3)on2)cc1 | C[C@H](c1noc(-c2ccc(F)c3c2CCNC3)n1)n1ccnc1 | 0.517915 |
Cc1[nH]cnc1CN1C[C@@H]2CC[C@H](C1)N(C(=O)c1c[nH]c(=O)c(Cl)c1)C2 | COC(=O)/C=C1/S/C(=N/C(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)NC1=O | 0.604726 |
COc1ccc(-n2c(SCCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)cc1Cl | COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@@]5(c6ccccc6N[C@]15[C@@H]2C)[C@@H]43 | 0.769078 |
COc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4ccncc4)no3)N(C)C2)cc1 | CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cccs1)c1ccccc12 | 0.590957 |
CCCCCCCNCc1ccc(OCc2nnnn2-c2ccc(C)cc2)c(OC)c1 | Cc1cc2c(cc1-c1c(-c3ccccc3)ncn1CCc1c[nH]cn1)OCO2 | 0.531798 |
CCOC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1C | O=C1c2ccccc2N[C@H](c2ccc(Cl)cc2)N1C[C@@H]1CCCO1 | 0.610703 |
Cc1cccc(CN2CCC[C@](O)(CN(C)Cc3cc(C)no3)C2=O)c1 | Cc1[nH]nc(CN2CCC3(CC2)C(=O)N(C)C(=O)N3C)c1Cl | 0.526377 |
Cc1c(C(=O)N2C[C@@H](O)[C@H](N3CCN(C)CC3)C2)oc2ccccc12 | Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)N[C@@H](C)c1ccccc1)O2 | 0.629167 |
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1 | Cc1cccc(CN2CCC[C@@](O)(CNCCc3c[nH]cn3)C2=O)c1 | 0.510734 |
COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)NCc1ccncc1 | C[C@@H]1Cc2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2N1S(C)(=O)=O | 0.511602 |
O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/Nc1cccc(C(=O)O)c1 | COc1cc(C)c2[nH]c3c(c(=O)c2c1)CN(CC(=O)Nc1ccc2c(c1)OCCO2)CC3 | 0.61651 |
Cc1ccc(C(=O)N2C[C@H](O)C[C@H]2c2ccccc2C(F)(F)F)cn1 | CC(C)c1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cccc(O)c1 | 0.605123 |
CN1C[C@@H](C(=O)NCCc2coc(-c3ccc(F)cc3)n2)CC1=O | Cc1cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c2c3c(c(=O)oc2c1)CCC3 | 0.551941 |
CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)c1c(C(C)C)noc1C)C2 | COc1ccc2c(ccn2CC(=O)Nc2ccc(N(C)C)cn2)c1 | 0.558793 |
CCCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccccc2)nc2cc(Cl)ccc2c1=O | CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1cccc(C)c1 | 0.546893 |
Cn1c(-c2ccc(S(=O)(=O)O)cc2)nc2c1c(=O)[nH]c(=O)n2C | CCOC(=O)Cc1csc(S[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)n1 | 0.681771 |
CC(C)=NNc1nc2ccc(-c3nc4ccccc4o3)cc2s1 | O=C1Nc2ccc(F)cc2/C1=C/C(=O)c1ccc(F)cc1 | 0.534292 |
Cc1cc([C@@H](C#N)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)nc(C)n1 | Cc1ccnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)n1 | 0.562168 |
Cc1cc([C@H](C)NC(=O)N(C)C[C@H](C)c2nccs2)c(C)s1 | CC[C@@H](C)[C@@H](C)N(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)C1CC1 | 0.5 |
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 | CCN1C(=O)C[C@@H](C(=O)NCc2ccnn2C)[C@@H]1c1ccccc1OC | 0.691268 |
COCCNC(=O)C1CCN(c2ncnc3[nH]cnc23)CC1 | COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccccc3F)no2)cc1OC | 0.519786 |
OCCCNc1ncnc2c1[C@H](c1ccccc1Cl)c1ccc(O)cc1O2 | COc1c(C)cc([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-] | 0.529666 |
O=c1[nH]c(N2CCN(c3ccccc3)CC2)nc2c(-c3ccccc3Cl)csc12 | COC(=O)c1c(C)cccc1NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O | 0.598081 |
CCCn1c(-n2nc(CC)cc2CC)nc2c1c(=O)[nH]c(=O)n2C | O=C(c1cc(COc2ccc(F)c(F)c2)on1)N1CCOCC1 | 0.53878 |
CC(=O)c1ccc(N2CCN([C@@H](C)C(=O)N3CCCc4ccccc43)CC2)c(F)c1 | Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(O)cc1C(=O)O | 0.505896 |
C[C@@H](Oc1cccc(CO)c1)C(=O)N1CCC(Nc2cccnc2)CC1 | Cc1ccc(N2C(=O)N([C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)C(=O)[C@H]2C)cc1 | 0.509648 |
Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(CC(=O)N2CCCC2)C1=O | CC1=CS(=O)(=O)c2c(Br)cccc21 | 0.521459 |
C[C@H](NC(N)=O)C(=O)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 | Cc1nsc2ncc(C(=O)NC[C@@]3(CO)C[C@H]3c3ccc(F)cc3)cc12 | 0.563333 |
CN(C(=O)[C@@]12[C@H]3[C@@H]4C[C@@H]5[C@@H]3C(=O)[C@H]1[C@H]5[C@H]42)c1ccc(N2CCOCC2)nc1 | Cc1cccc(N[C@H]2CC(=O)N(c3ccccc3Br)C2=O)c1 | 0.515403 |
Cc1ccccc1NC(=O)c1sc(NC(=O)c2cnccn2)c(C(=O)OC(C)C)c1C | Cc1cnc([C@@H](C)NC(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)o1 | 0.655067 |
C/C(Cl)=C\Cn1c(N(C)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C | CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)Cc1c[nH]c2ncccc12 | 0.588912 |
CCCCOC(=O)[C@H]1[C@H]2C(=O)N(C(c3ccccc3)c3ccccc3)C[C@]23C=C[C@H]1O3 | CCOc1ccc(C(=O)[C@H](C)[n+]2cc(-c3ccc(C)cc3)n3c2CCC3)cc1 | 0.72004 |
CCC(CC)NC(=O)[C@H]1CCc2nnc(C3CCN(C(=O)NC(C)C)CC3)n2C1 | COc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1[N+](=O)[O-] | 0.50432 |
CC[C@]1(O)CCN(C(=O)CCc2nc(-c3ccncc3)no2)C[C@@H]1O | Cn1nc2c(c1NC(=O)Cn1cnc3ccccc3c1=O)CSC2 | 0.545745 |
Cc1nn(-c2ccccc2)c(C)c1SCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 | Oc1cc(CN(Cc2ccccn2)C[C@H]2CCCO2)nc2c(F)cccc12 | 0.527533 |
Cc1nc(N[C@H](C(=O)O)[C@H](C)O)c2oc3ccccc3c2n1 | Cc1ccc2nc(COC(=O)/C(=C/c3ccccc3)n3nnnc3C)cc(=O)n2c1 | 0.693028 |
Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCc4occc4C3)CC2)o1 | C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCc2nnc(CCNC(=O)C3CCC3)n2CC1 | 0.512679 |
COc1cc(-c2nnc(COC(=O)Cc3ccc(F)cc3)o2)cc(OC)c1OC | O=C(NCCc1c[nH]c2ccccc12)[C@@H]1[C@H]2C(=O)N(c3ccccc3)C[C@]23C=C[C@H]1O3 | 0.585567 |
N#Cc1c(NC(=O)CSc2nc3cc(Cl)ccc3[nH]2)sc2c1CCCC2 | CN1CCN(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 | 0.505972 |
CCc1c(-c2ccccc2)oc2nc3c(c(=O)n(C)c(=O)n3C)n12 | CCc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1 | 0.627907 |
OC1=C2C(=Nc3ncnn3[C@H]2c2cc(F)cc(F)c2)CCC1 | Cc1[nH]c2ccc(C(=O)N3CCN(C4CCSCC4)CC3)cc2c1C | 0.553957 |
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(N3CCc4ccccc4C3)nc12 | Cc1[nH][nH]c(=O)c1CC(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 | 0.688574 |
O=C(CSc1nnc(-c2cccnc2)n1C1CC1)NC[C@H]1COc2ccccc2O1 | CCOC(=O)C1=C(COC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)NC(=O)N[C@@H]1C | 0.649793 |
COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCCC[C@@H]1C | COc1ccc(-c2noc([C@@H]3CC=CC[C@H]3C(=O)N3CCOCC3)n2)cn1 | 0.632568 |
CN(Cc1ccno1)C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(CC(C)(C)C)C(=O)[C@@H]13)O2 | C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)cc21 | 0.673196 |
COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCCCN1c2ccccc2C[C@@H]1C | CCC(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(Cl)ccc3C)cc21 | 0.674576 |
CC(C)c1ccccc1NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O | O=C(CN1CCOCC1=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 | 0.565702 |
Cc1ccc(NC(=O)CSc2nc(=O)cc(O)n2C2CCCC2)cc1 | COc1ccccc1N1CCN(C(=O)Cn2cnc3nc(N4CCCCC4)sc3c2=O)CC1 | 0.612802 |
CN(C)c1nc(N2CC[C@](Cc3ccccc3)(C(=O)O)[C@@H](O)C2)cc(C(F)(F)F)n1 | COc1coc(CN2CC[C@@]3(CCCN(CCO)C3=O)C2)cc1=O | 0.561462 |
CCc1nc2ccccc2n1CC(=O)Nc1cnc2c(cnn2C(C)C)c1 | O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)NC(=O)NCc1ccco1 | 0.66178 |
Cc1cccn2c(=O)c3c(nc12)N1CC[C@H](C)C[C@@H]1C1(C3)C(=O)N(C)C(=O)N(C)C1=O | CC(=O)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 | 0.523713 |
CSCC[C@@H](NC(=O)CNC(=O)c1ccc(F)cc1)c1nc2ccccc2s1 | O=C(Nc1cccc(Cn2ccnc2)c1)c1occc1CS(=O)(=O)c1ccccc1 | 0.543991 |
C[C@H]1CCc2onc(C(=O)N[C@H]3CCCc4c3cnn4Cc3ccccc3Cl)c2C1 | O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1/N=C/c1ccc(F)cc1 | 0.68934 |
Cn1c2ccccc2c2cc(C(=O)N3CCc4nncn4CC3)ccc21 | CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@H]32)C1 | 0.552061 |
CC(=O)c1cn(CC(=O)N2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@@H]45)[C@H]32)c2ccccc12 | Cc1ccc(O)c(Nc2cc(C)c(C#N)c3nc4ccccc4n23)c1 | 0.661856 |
CN(C)c1ncc(-c2cc(C(=O)NCc3cc(F)cc(F)c3)n(CC3CC3)c2)cn1 | COc1ccc(C)cc1NC(=O)CSc1nccnc1N1CCN(c2ccccc2OC)CC1 | 0.557127 |
Subsets and Splits