p1
stringlengths 9
246
| p2
stringlengths 10
231
| similarity
float64 0.09
1
|
|---|---|---|
COc1ccc([C@H]2c3c([nH]c(=O)c4ccccc34)N=C3C=CC=CN32)cc1
|
O=C1c2ccccc2C(=O)N1CCCCN(C(=O)c1ccco1)c1ccc(F)cc1F
| 0.684369 |
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1Cc1ccncc1
|
Cc1nsc(N2CCCN(C(=O)N[C@H]3CCOc4c(F)cccc43)CC2)n1
| 0.723896 |
Cc1ccc([C@]23C[C@H]2CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C3)cc1
|
COc1cccc(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)c1O[C@H](C)C(=O)O
| 0.504897 |
COc1c(CNCc2ccc(S(C)(=O)=O)cc2)c(C)nn1C
|
Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)NC[C@@H](c1ccccc1)N(C)C
| 0.538037 |
COc1ccc(Cl)cc1C(=O)Nc1c2c(nn1-c1cccc(C)c1)CSC2
|
O=C(COC(=O)Cc1c(Cl)cccc1Cl)Nc1ncc(C(F)(F)F)cc1Cl
| 0.567258 |
C[C@H](NC(=O)COC(=O)c1csc(S(N)(=O)=O)c1)[C@@H]1C[C@H]2CC[C@H]1C2
|
CS(=O)(=O)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1ccsc1
| 0.501199 |
O=C(CCCC[C@@H]1[C@H]2NC(=O)N[C@@H]2CS1(=O)=O)Nc1ccc(Br)c(C(F)(F)F)c1
|
COc1ccc(Br)c(C(=O)N2CC[C@]3(CC(=O)c4ccccc4O3)C2)c1
| 0.578728 |
COc1ccc(NC(=O)COc2cc(C(=O)O)ccc2[N+](=O)[O-])c(OC)c1
|
O=[N+]([O-])c1ccc2c(c1)nc(CSc1nncs1)n2-c1ccc(F)cc1
| 0.505028 |
CCc1cc(C(=O)N2CCC([C@@]3(C)NC(=O)N(C4Cc5ccccc5C4)C3=O)CC2)n(C)n1
|
O=C(O)CN1C(=O)/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)SC1=S
| 0.644628 |
COc1ccc(Cl)cc1-c1n[nH]c(S[C@@H](C)C(=O)N2CCNC2=O)n1
|
COCCNC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1
| 0.555914 |
CS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCCC2)cc1)c1cccc2ccccc12
|
Cc1cccc(NC(=O)Nc2cccc(CNC(=O)C(=O)c3c(C)nn(-c4ccccc4)c3C)c2)c1
| 0.515118 |
CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2cccc(F)c2)C2=C(C[C@@H](C)CC2=O)N1
|
COc1cccc(-n2cnc3c2N=C(O)C[C@H]3c2c(F)cccc2F)c1
| 0.776238 |
CN1CCn2nc(C(=O)NCc3cccn4nccc34)cc2C1=O
|
COCC(=O)N1CCC[C@@H](c2cc(-c3ccnn3C(C)C)nc(C)n2)C1
| 0.640167 |
C#CCN1C(=O)S/C(=C\c2ccc(N3CCOCC3)o2)C1=O
|
Cn1nccc1CSc1nnc(-c2ccc(Cl)cc2Cl)n1N
| 0.523446 |
CCCN1CCCC[C@H]1c1cnc(N2CCCCC2)c(C)c1
|
O=C(NC1CCCC1)c1cc([C@H]2CCCCN2c2ncccn2)n[nH]1
| 0.564368 |
Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)cc1
|
CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCc1cccc(OC(F)(F)F)c1)C2
| 0.508351 |
Cc1sc(-c2cccc(C(F)(F)F)c2)nc1C(=O)O
|
CC(C)(C)c1ccc(C(=O)N2N=C(C(F)(F)F)C[C@]2(O)c2ccc([N+](=O)[O-])cc2)cc1
| 0.522373 |
CC1(C)NC(=O)N(CC(=O)N2CCC([C@H](O)c3ccccn3)CC2)C1=O
|
CC1(C)OC[C@H]([C@@H](c2cc3ccccc3s2)N(O)Cc2ccccc2)O1
| 0.565539 |
CC(=O)Oc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2
|
CCOC(=O)C1=CN(c2ccc(F)cc2)C=C(C(=O)OCC)C1c1cccc(OC)c1
| 0.531287 |
CCc1ccc([C@@H](NC(=O)COC(=O)c2ccccc2OCC(N)=O)c2cccc(F)c2)cc1
|
CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(C(=O)Nc3c(CC)cccc31)N1CCC[C@@H]21
| 0.618526 |
C[C@H]1CN(c2ccc(NC(=O)COC(=O)CN3C(=O)c4cccnc4C3=O)cc2)C[C@H](C)O1
|
CCCn1nc(NC(=O)c2cccc([N+](=O)[O-])c2)c2cc3cc(OC)ccc3nc21
| 0.694898 |
O=C(CSc1nnnn1-c1cccc(F)c1)NCC1(N2CCOCC2)CCCCC1
|
COc1ccc(-n2nc3c(c2NC(=O)c2ccc(OC)cc2OC)CSC3)cc1
| 0.593555 |
CCCCOc1ccc2ccccc2c1/C=C(\Sc1nnc(C)o1)C(=O)O
|
Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1nnc(-c2ccccc2)o1
| 0.523707 |
CCCCN(CCCC)CC(=O)Nc1cc(N(C)C)nc2ccccc12
|
CCOC(=O)N1CCN(C(=O)CSc2nc(-c3ccco3)nc3c2c(=O)n(C)c(=O)n3C)CC1
| 0.508475 |
O=C(NCCCn1ccnc1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
|
CCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N2CCC(c4nc(C)c(C(C)=O)s4)CC2)[C@@H]3C1=O
| 0.731855 |
CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)CN1C(=O)COc2ccccc21
|
O=C(OC[C@H]1CCCN2CCCC[C@@H]12)[C@H]1CCCN1C(=O)OCc1ccccc1
| 0.53913 |
COc1ccc(-n2c(S[C@@H](C)C(N)=O)nnc2-c2ccccc2)cc1OC
|
Cc1ccc2[nH]c3nc(SCC(=O)N4[C@@H](C)CCC[C@@H]4C)nnc3c2c1
| 0.600642 |
Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)c1ccc(CN2CCOCC2)o1
|
Cn1nc(NC(=O)[C@]2(C)CCCCO2)c2c(N3CCOCC3)cccc21
| 0.73679 |
O=C([C@H]1C[C@H]1c1ccc2ccccc2c1)N1CCN(c2cc(C3CC3)n[nH]2)CC1
|
CCS(=O)(=O)Nc1ccccc1-c1nc(CNC(=O)C#Cc2ccccc2)c(C)o1
| 0.523344 |
CC(C)(C)c1ccccc1NC(=O)CSc1nnc(-c2cnccn2)n1-c1ccccc1
|
CCOc1ccc(S(=O)(=O)N(C)Cc2cccnc2)cc1C(=O)O
| 0.551363 |
O=C(c1cc2ccccc2oc1=O)N1CC=C(c2ccccc2)CC1
|
CC(C)(C)OC(=O)N1CCc2nnc(C3CCN(C(=O)c4ccccn4)CC3)n2CC1
| 0.600439 |
CN(C)C(=O)c1ccc(N[C@@H](c2ccccn2)[C@H]2C[C@H](O)C2)nc1
|
Cc1ccc(C)c2c(C)c(C(=O)NCCc3nc(O)n[nH]3)oc12
| 0.532973 |
C[C@@H](Oc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cn1)c1ccccc1
|
C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)[C@@H]3CCCO3)cc2N1
| 0.644964 |
O=C(CCn1cc(C2CCC2)nn1)N[C@@H]1CCc2ccccc2NC1=O
|
CC1CCC(N(C)C(=O)[C@@H]2CSCN2C(=O)c2ccccc2)CC1
| 0.517897 |
Cc1nn(C)cc1[C@@H]1[C@H](C(=O)Nc2ccccc2)C(=O)C[C@](C)(O)[C@@H]1C(=O)Nc1ccccc1
|
COc1ccc(CCNC(=O)[C@H](C)n2nc3c(cc2=O)CCC3)cc1OC
| 0.67437 |
COc1cccc(C[C@@H](NC(=O)c2ccc(=O)n(C)n2)C(=O)O)c1
|
CCOC(=O)c1c(C)nc2nn3c(N)c(C#N)nnc3c2c1-c1ccc(C)cc1
| 0.615226 |
O=C(O)C[C@@H]1C(=O)N2CCNC2=C1C(=O)c1ccco1
|
NS(=O)(=O)c1ccc(CNc2ncnc3sc(-c4ccccc4)cc23)cc1
| 0.60829 |
Cn1cccc1-c1nnn2c1nc(N)c1ncc(C(F)(F)F)cc12
|
O=C(O)c1ccccc1S[C@H]1CC(=O)N(c2ccccc2)C1=O
| 0.600619 |
CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1cc(=O)n3nc(C)cc3[nH]1)C2
|
O=C(c1ccc(-n2cnnn2)cc1O)N1CCC(N2CCc3ccccc3C2)CC1
| 0.601695 |
Cc1cc(C)n2nc(SCC(=O)Nc3cc(Cl)ccc3Oc3ccccc3)nc2n1
|
COc1ccc([C@H]2NCC[C@@]23C(=O)Nc2ccccc23)cc1OC
| 0.648816 |
CC(C)N1CCN(C2CCN(C(=O)c3ccn(-c4ccc(F)cc4)n3)CC2)CC1
|
COc1cc(OC)cc(N2C=C(C(=O)c3ccc(OC)c(OC)c3)S(=O)(=O)c3ccccc32)c1
| 0.565308 |
Cc1nc(NCC2CCCCC2)cc([C@H]2CCN2S(C)(=O)=O)n1
|
O=C(NC1CC1)c1ccc(S(=O)(=O)N2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1
| 0.521591 |
Cc1cccc2cc(CN(CCCO)C3(c4nnnn4C4CCCC4)CCCC3)c(=O)[nH]c12
|
Cc1ccc([C@@H](CNc2ncnc3nc(N)ccc23)N2CCCC2)o1
| 0.659794 |
COc1ccc(N2C(=O)C[C@H]([C@@H]3CCCC=C3N3CCCCC3)C2=O)cc1
|
C[C@H](NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)c1ccco1
| 0.559267 |
COC(=O)C1=C(CN2CCCC[C@H]2C)NC(=O)N[C@@H]1c1ccc(OC)cc1
|
CC(C)(C)OC(=O)N1CCC(CC(=O)NCc2nccnc2-c2cccs2)CC1
| 0.595364 |
Cc1c([C@@H](C)NC[C@]2(O)CCOC2)oc2ccccc12
|
CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1[C@@H](C)Oc1ccccc1
| 0.50547 |
Cc1oc(C)c(S(=O)(=O)N2CCN(C(=O)c3cnc(C4CC4)s3)CC2)c1C(=O)O
|
Cc1[nH]c2ccc(CNC(=O)N[C@@H]3c4ccccc4C[C@@H]3O)cc2c1C
| 0.617828 |
CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccccc1Oc1ccccc1
|
CN1C(=O)C[C@@H](C(=O)O)C12CCN(Cc1ccc3c(c1)OCO3)CC2
| 0.571728 |
CC(C)Cc1csc2ncnc(NCCO)c12
|
CN(C)S(=O)(=O)c1cccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)c1
| 0.508215 |
CCOCC[C@@H]1CCOC12CN(Cc1cccc3[nH]ccc13)C2
|
Cc1cccc2c(=O)n(CCC(=O)N[C@H]3COc4ccccc4C3)cnc12
| 0.512249 |
Cc1nc(C)c(-c2ccc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)nn2)s1
|
COCCCNC(=O)c1ccccc1NC(=O)[C@H]1COc2ccccc2O1
| 0.513187 |
COC(=O)c1cccc(NC(=O)CSc2nnc(CNC(=O)/C=C/c3ccccc3Cl)n2C)c1
|
COc1ccc(N([C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)S(C)(=O)=O)cc1
| 0.625404 |
CN1C(=O)CCc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)ccc21
|
CN1CCOc2ccc(NC(=O)c3cccc(Br)c3)cc2C1=O
| 0.526379 |
CNc1cc(C)nc([C@@H]2COCCN2C(=O)c2cn(C)nc2C)n1
|
CC(=O)N1CCc2cc(C(=O)NC3CCCCCCC3)ccc21
| 0.508287 |
COC(=O)c1cnc(N2CC[C@H](C)[C@@H](NC(=O)c3ncn(C)n3)C2)nc1
|
COc1ccc(-c2ccc(=O)n(CCNC(=O)c3cccc(C)c3)n2)cc1
| 0.505682 |
COC(=O)c1ccc(OCC(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)cc1
|
CC(=O)Nc1cccc(-c2cc(C)c3cc4c(cc3n2)OCO4)c1
| 0.537683 |
COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1sccc1C(N)=O)CC2
|
N#Cc1ccc(COc2ccc(/C=c3/sc4nc5ccccc5n4c3=O)cc2Br)cc1
| 0.697581 |
CC(C)(C)n1nnnc1[C@H](c1cccc(C#N)c1)N1CCC(Cc2ccccc2)CC1
|
COc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccccc1)cn2Cc1cc(C)ccc1C
| 0.574132 |
C[C@@H](NC(=O)c1cc2ncc(CCO)cn2n1)c1nc(-c2ccccn2)no1
|
CC(C)Cn1cncc1CNC(=O)[C@@H]1CCCN1S(C)(=O)=O
| 0.559788 |
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccn2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN21
|
CO[C@@H](C)C(=O)N[C@@H]1CCCc2c1cnn2C
| 0.628684 |
CCOc1ccc2nc(NC(=O)CCn3[nH]c(=O)ccc3=O)sc2c1
|
COCc1nc(NCCn2c(C)cc(C)nc2=O)cc([C@H]2CCOC2)n1
| 0.576017 |
CC(C)n1c(Cc2ccc3c(c2)OCCCO3)nnc1SCC(=O)NC1CCCC1
|
Cc1noc(C)c1CNC(=O)c1cc(-c2ccccc2)[nH]n1
| 0.501654 |
COC(=O)c1ccc(N2CCCC2)c(NC(=O)CCN2C(=O)c3ccccc3C2=O)c1
|
C[C@@H](Cc1ccc(N(C)C)cc1)NC(=O)c1ncoc1[C@H]1CCCO1
| 0.582781 |
COc1ccc(NC(=O)CN2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(F)cc2)cc1
|
COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2ccccc2OC)cc1
| 0.656639 |
C#CCOc1ccccc1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O
|
O=C(CSc1cn(CCNC(=O)c2ccccc2F)c2ccccc12)NC[C@H]1CCCO1
| 0.54 |
O=C(O)c1ccc(C(=O)NC[C@@H]2CC(=O)N(c3ccccc3)C2)cc1
|
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C(/NCc1ccccc1Cl)Nc1ccccc1
| 0.502818 |
O=C(Nc1ccc(Oc2ccc(F)cc2)cn1)c1cccnc1SC(F)F
|
Cn1cc([C@H]2[C@H](CN3CCCCC3)OCCN2C(=O)c2cc(C#N)cn2C)cn1
| 0.607106 |
Cc1cc(C)nc(CCN2C[C@@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)n1
|
COc1cc([C@@H](c2sc3nc(C)nn3c2O)N2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1OC
| 0.573361 |
COCC(=O)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1
|
COc1ccccc1NC(=O)c1cnc([C@@H]2CCCCN2C2CCCC2)nc1C
| 0.559091 |
CCOC(=O)COc1ccccc1/C=C1/NC(=O)N(CC(=O)O)C1=O
|
CC1(C)CC(NCc2c(O)c(Cl)cc3c4c(c(=O)oc23)CCCC4)CC(C)(C)N1
| 0.594792 |
O=C(N=c1ccn(-c2ccc(Br)cc2)[nH]1)[C@H]1CNCCOC1
|
COc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2Cc2cccnc2)cc1
| 0.563895 |
COCCN1CCN(Cc2ccc(C)s2)[C@H]2CS(=O)(=O)C[C@H]21
|
CCOC(=O)c1c(NC(=O)c2cccc(NC(C)=O)c2)sc2c1CCC2
| 0.521053 |
C=C(C)CSc1nc2sc3c(c2c(=O)n1CC(=C)C)CCC3
|
CCC(CC)NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O
| 0.514933 |
CCc1ccc(C(=O)N2CCc3[nH]c(-c4ccc(OC)cc4)nc3C2)[nH]1
|
COc1cc(C)c(S(=O)(=O)N2CCN(Cc3nc(C)c(C)o3)CC2)cc1C
| 0.554011 |
NC(=O)c1sccc1S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1
|
COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCCN(C)CC2)cc1F
| 0.559322 |
Cc1nnsc1C(=O)N1CCCC[C@@H]1c1nc(C(C)C)no1
|
COc1ccc(-c2cc3ncc4c(n3n2)C[C@H]2CC[C@H]4N2CC(=O)OC(C)C)cc1
| 0.733533 |
O=S1(=O)C[C@@H]2N=C(SCc3ccc(Br)cc3F)N(c3ccccc3F)[C@H]2C1
|
CC1(C)[C@H](C(=O)O)CC[C@]12NC(=O)NC2=O
| 0.503634 |
CC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12
|
COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1
| 0.808532 |
Cc1cnc(N2CCC[C@H]3C(=O)NC[C@H]32)nc1C
|
COC(=O)C1=C(O)c2sc(-c3ccco3)cc2S(=O)(=O)N1
| 0.599596 |
CCOC(=O)c1nnc(NC(=O)CCCc2ncc(-c3ccccc3)o2)s1
|
COC(=O)CN(c1cc(C(=O)OC)ccc1Cl)S(=O)(=O)c1ccccc1
| 0.52508 |
CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccccn1
|
Cc1ccc(OCc2nn(CC(=O)Nc3ccccc3C)c(=S)o2)cc1
| 0.600598 |
CCc1nc2cc(C(=O)N(C)Cc3cc(OC)c(OC)c(OC)c3)ccc2n1C
|
CNc1nc(N2CCC(C(=O)O)(n3cccn3)CC2)nc2c1CCC2
| 0.584043 |
O=C(O)C1=C[C@H](c2c[nH]c3ccccc23)n2nc(-c3ccccc3)nc2N1
|
Cc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2C)C1
| 0.544162 |
C[C@H](NC(=O)COC(=O)c1ccc(-n2cccn2)nc1)[C@H]1C[C@H]2CC[C@H]1C2
|
O=C(c1cccs1)[C@H]1[C@H](c2ccc(F)cc2)NC(=S)N[C@]1(O)C(F)(F)F
| 0.602472 |
c1cc(-c2noc(C3CN(C4CCCCC4)C3)n2)ncn1
|
CCCC[C@H](NC(=O)COc1cc2occ(-c3nc(C)cs3)c(=O)c2cc1CC)C(=O)O
| 0.541667 |
CCCCn1c(N)c(N(CC(C)C)C(=O)[C@H]2CCCO2)c(=O)[nH]c1=O
|
Cc1csc(=O)n1CCN1CC2(CCC2)[C@H]1[C@@H]1CCCO1
| 0.582979 |
N#Cc1c(-c2ccco2)nc(SCc2ccc(Cl)cc2)[nH]c1=O
|
CCOC(=O)[C@H](C)Oc1cccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c1
| 0.591966 |
CC1(C)C(=O)Nc2cc(C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)ccc21
|
Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)c4cc(=O)[nH]c5ccccc45)CC3)n2)cc1
| 0.630252 |
O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCc1ccc(COc2ccccc2)cc1
|
CCOc1ccc(C(=O)N2CCCCC2)cc1N[C@H]1CCN(C(C)C)C1=O
| 0.506345 |
COc1ccc(F)c(CN2CCO[C@]3(CO[C@@H](C(=O)N4CCC(C)(OC)CC4)C3)C2)c1
|
COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3ccc(NC(C)=O)cc3)C2)c1
| 0.542964 |
Cc1ccccc1-n1nc(C(=O)N(C)C2(CO)CC2)c2c1CCC2
|
COc1cccc(-c2noc(CN3c4ccc(S(N)(=O)=O)cc4C[C@H]3C)n2)c1
| 0.709677 |
CCc1ocnc1C(=O)N1CC[C@]2(CCCN(Cc3ccccc3F)C2=O)C1
|
O=C(NCc1ccc(C(F)(F)F)cc1F)[C@@H]1CCCN1C1CCNCC1
| 0.549881 |
O=C(Cn1cc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)c2ccccc21)NC1CC1
|
CCCc1cc(C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)no1
| 0.651757 |
O[C@@H]1CN(C2CCOCC2)CC[C@H]1c1ccc2c(c1)OCO2
|
C[C@H](CCc1cccn1C)NC(=O)[C@@H]1CCOc2ccccc21
| 0.508728 |
CCN(c1cccc(C)c1)S(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1OC
|
C[C@@H](Sc1nncn1-c1ccccc1)C(=O)Nc1cccc2ccccc12
| 0.539545 |
COC(=O)[C@@H]1C=C[C@@H](C)n2c(=O)c3cc4ccccc4cc3c(=O)n21
|
O=C(Cc1ccc(C(=O)O)cc1)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21
| 0.502775 |
COC(=O)c1c(N2C(=O)[C@H]3[C@@H](ON(c4ccc(Cl)cc4)[C@H]3c3ccco3)C2=O)sc(C)c1C
|
Cc1cccc(NC(=O)C[C@H]2Cn3ncc(-c4ccc(Cl)cc4)c3NC2=O)c1
| 0.765686 |
CC(=O)N1CCN(Cc2ccc(OCc3nccn3C)cc2)C[C@](O)(COc2ccc(C)cc2)C1
|
COc1ccc(CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]2CCS(=O)(=O)C2)cc1
| 0.526253 |
CCC(=O)Nc1nc(C)c(C(=O)NC2CCCCC2)s1
|
CCOc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCc3ccccc3C2)cc1
| 0.550052 |
O=C(N[C@H](CO)CN1CCOCC1)c1nccc2cccnc12
|
C[C@@H](NC(=O)CCCc1nc(-c2cccnc2)no1)c1nc2ccccc2s1
| 0.53059 |
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