p1
stringlengths 9
246
| p2
stringlengths 10
231
| similarity
float64 0.09
1
|
|---|---|---|
COc1ccc(Cc2nc3c(n2C(C)=O)SC(c2ccc(Cl)cc2)=NN3C(C)=O)cc1 | COc1ccc(C(=O)OCc2cn3cccc(C)c3n2)cc1S(=O)(=O)N1CCCC1 | 0.738048 |
Cc1csc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@]2(C)CCN(C)C2=O)c1Cl | Cc1csc(-c2noc([C@@H]3NCCOc4ccccc43)n2)n1 | 0.582011 |
CCC(CC)n1ncc(C(=O)N2CCN(c3ncns3)CC2)c1C | CO[C@@H]1C[C@H](CNC(=O)c2c(C3CC3)cnn2C)N(c2ccncn2)C1 | 0.630688 |
O=c1[nH]c2c(s1)[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 | CCO[C@@H]1CCOC2(C1)CN(C(=O)c1ccc3ccccc3c1)C2 | 0.514706 |
CN1CCN(c2ccc3c(-c4ncc(C(=O)NCc5ccco5)s4)noc3c2)CC1 | Cc1c(N[C@H]2CCCOC2)cnn1-c1ccccc1 | 0.502119 |
O=C1N(CCO)CCC[C@]12CCCN2Cc1cnc(-c2ccccc2)s1 | Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)Cc1cccc(F)c1 | 0.539891 |
CCOc1cc(/C=C2/NC(=O)NC2=O)cc(I)c1OCc1ccccc1F | O=C(NCc1ccc2c(c1)CCCO2)c1ccc2c(c1)OCCCO2 | 0.51195 |
Cc1nc2cc(F)cc(C(=O)OCc3nc4ccccc4nc3C)c2nc1C | O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 | 0.606029 |
COc1c(C)cnc(CN(C)C(=O)C2(CO)CCOCC2)c1C | CC(C)c1noc(C2(NC(=O)[C@H]3CCN(CC(F)(F)F)C3)CCOCC2)n1 | 0.543333 |
C[C@@H]1CN(C(=O)Nc2cc(C(F)(F)F)ccn2)C[C@@H](c2ccccc2)O1 | COc1ccc(-c2c[n+](CC(=O)Nc3ccc(C(C)=O)cc3)c3n2CCC3)cc1 | 0.549311 |
CSc1nc2nc(C)c(CCC(=O)Nc3nnc(-c4ccccc4)s3)c(C)n2n1 | CCN(C(=O)/C=C/c1c(C)nn(Cc2ccccc2Cl)c1C)[C@H]1CCS(=O)(=O)C1 | 0.608741 |
COc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)c3ccccc3C(F)(F)F)CC1)O2 | Cc1ccc(N2C(=O)N(Cc3cc4ccc(C)cc4nc3Cl)C(=O)[C@H]2C)cc1 | 0.61651 |
C[C@H]1CCN(C(=O)COc2cccc(-n3cnnn3)c2)c2ccccc2S1 | COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)c(OC)c1 | 0.671952 |
COC(=O)c1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2-c2ccccc2)cc1 | Cn1cc(/C=C/c2nc3ccc(C(=O)O)cc3s2)c(=O)n(C)c1=O | 0.594652 |
CN1CCO[C@@H](CN[C@H](c2cncc(F)c2)C2CC2)[C@@H]1c1ccnn1C | COc1cc2nc(-c3cccc([C@@H](C)N(C)C)c3)nc(N)c2cc1OC | 0.609015 |
COC(=O)c1cn(C2CCN(C(=O)c3ccco3)CC2)cc2c(=O)[nH]nc1-2 | O=C(NCc1cccs1)C1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(F)cc2)C3)CC1 | 0.751773 |
O=C(NCC(=O)N1CCN(c2ccccc2F)CC1)c1ccc2noc(-c3ccccc3)c2c1 | O=C1N[C@](c2ccccc2)(C(F)(F)F)C(=O)N1CCCOCc1ccccc1 | 0.654952 |
O=C(Nc1cc([C@@H]2CCCOC2)[nH]n1)[C@@H]1CCCN1c1nccs1 | CCNS(=O)(=O)c1ccc(C(=O)O[C@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)cc1 | 0.597471 |
CN1CC[C@H](COc2ccccn2)CC12CN(C(=O)c1cnccn1)C2 | CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)O | 0.563441 |
Cc1ccc2nc(C)c(C(=O)N(C)CC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2c1 | COc1ccc([C@H]2CC(=O)c3c([nH]c(C(=O)OCc4ccc(C)cc4)c3C)C2)cc1OC | 0.598947 |
C[C@@H](NC(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1C[C@@H]2CC[C@@H]1C2 | O=C(Nc1ccc2c(c1)CCN2)N1CC[C@@H](n2cccn2)C1 | 0.532796 |
O=C(CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)N1CCc2ccccc21 | CCOc1ccc(N(CC(=O)NCc2cccc(OCC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 | 0.643426 |
CN(C)c1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3ccccc3)CC2)cc1 | C[C@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)Cc1ccccc1 | 0.566381 |
Cc1ccc2oc(-c3ccccc3[N+](=O)[O-])cc(=O)c2c1 | Cc1ocnc1-c1noc([C@H]2OCC[C@H]2Cn2cccn2)n1 | 0.570675 |
C[C@H](Nc1cc(C(F)(F)F)nc(N2CCCC2)n1)c1nncn1C | Cc1nc(CN2CC[C@]3(CN(C(=O)c4ccn(C)n4)C[C@@H]3c3cn(C)cn3)C2=O)cs1 | 0.634694 |
CN1N=C(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)CCC1=O | O=C(c1cccc[n+]1[O-])N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 | 0.610989 |
Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(SCCO)c([N+](=O)[O-])c3)C2=O)c1 | O=C1Nc2cc(Cl)ccc2S[C@@H]1CC(=O)N1CC[C@@H](OCc2ccncc2)C1 | 0.6388 |
C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1cccc3c1OCO3)C2=O | CNC(=O)CN1CCC(N[C@@H]2CC(C)(C)Cc3occc32)CC1 | 0.538883 |
CCOC(=O)[C@@]1(c2ccccc2)N[C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 | CN1N=C(C(=O)NC[C@H](c2cccs2)N2CCCC2)CCC1=O | 0.611168 |
COc1ccc(C(=O)n2cc(C#N)c3ccccc32)cc1[N+](=O)[O-] | Cc1ccc(C(=O)N2CCC[C@]3(C[C@@H](Oc4ncccn4)CO3)C2)cn1 | 0.588745 |
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 | O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccc(SC(F)F)cc1 | 0.599596 |
O=C(Nc1c(C(=O)NC2CCCCC2)cnn1-c1ccccc1)c1cccs1 | Cc1cc(C)n2nc(C(=O)OCC(=O)NCCc3ccc(F)cc3)nc2n1 | 0.559574 |
CCn1c(SCc2ccc(OC)cc2)nnc(N(c2ccccc2)C(C)C)c1=O | COc1c(C)cnc(CN2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3=O)c1C | 0.621339 |
COc1ccc2cc(NC(=O)[C@@H]3CCCN(c4nc(C)cc(C)n4)C3)cnc2c1 | CC1(C)OC[C@H]2C[C@@]21NC(=O)Nc1ccc2c(c1)CCC2=O | 0.564588 |
O=C1N(Cc2ccccc2)CCC[C@@]12CCCN2Cc1ccc(F)cc1F | CCOc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)cc1OC | 0.514161 |
Cc1cccc(C)c1-n1c(S[C@H]2CCCCNC2=O)nc2ccccc2c1=O | COc1ccc([C@@H](NC(=O)N2CCC(c3cc(C)no3)CC2)C(F)F)cc1 | 0.555436 |
CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(N3CCCC3=O)cc2)c2c[nH]c3ccccc23)cc1 | COc1ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c2c1Cl | 0.550214 |
Cc1ccc(C2(CNC(=O)c3ccoc3C)CCOCC2)cc1 | N#Cc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)c3c(n(-c4ccccc4)c(=O)[nH]c3=O)N2)cc1 | 0.54251 |
Cc1cnc(C(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cn1 | Cn1ncc(CN2C(=O)N[C@@](C)(C3CCCCC3)C2=O)n1 | 0.614754 |
CCOC(=O)c1sc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@@H]2c2cccs2)nc1C | C=CCO[C@H]1CC2(CCN(c3ccc(C)nn3)CC2)c2ccccc21 | 0.700787 |
O=C(CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C[C@@H]1CCCO1)Nc1ccccc1 | CCC[C@]1(CO)CCN(C(=O)[C@@H]2CCc3ncncc3C2)C1 | 0.570231 |
Cc1n[nH]c([C@H]2CN([C@@H](C)c3nc4ccccc4c(=O)[nH]3)CCO2)n1 | Cc1n[nH]c([C@H]2CN(Cc3cc(F)ccc3Cl)CCO2)n1 | 0.625628 |
Cc1nc([C@@H]2CCN(C(C)C)C2)c2sccn12 | CCOc1ccccc1/C=c1\sc2nnc(-c3cccc(Cl)c3)n2c1=O | 0.595657 |
CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2nccn3ccnc23)n1 | Cc1c(C(=O)C(=O)N2CCCCC2)c2ccccc2n1C | 0.555917 |
O=C(OCn1nnc2ccccc2c1=O)c1csc(NCc2ccccc2)n1 | Cc1n[nH]c(C)c1S(=O)(=O)Nc1ncn(Cc2ccc(F)cc2)n1 | 0.512088 |
C[C@@H](OCC1CC1)C(=O)N[C@@H]1CC2(CN(C(=O)c3ccn(C)n3)C2)n2ccnc21 | Cc1noc(C)c1CN(C)C(=O)[C@H]1C[C@H]1[N+](=O)[O-] | 0.513713 |
Cc1nc2c(s1)CCC[C@@H]2NC(=O)Cn1cnc2ccccc2c1=O | Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1C(C)C | 0.739044 |
CSc1nc(C2CC2)cc(C(=O)O[C@H](C)C(N)=O)c1C#N | Cc1noc([C@H]2CCCN2C(=O)c2cc(-c3cncnc3)nc3c(C)c(C)ccc23)n1 | 0.680938 |
CCOC(=O)[C@@H]1CCc2sc3ncnc(SCC(=O)NC(=O)Nc4ccccc4)c3c21 | CCCCCCn1c(SCCCO)nc2c1c(=O)[nH]c(=O)n2C | 0.706468 |
CN1CCC2(CC1)CN(c1cc(C(N)=O)ccn1)CCO2 | O=C(Nc1ccc(-n2cncn2)nc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 | 0.521176 |
COc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1S(=O)(=O)N1CCCCC1 | C[C@@H]1Cc2ccccc2N1C(=O)CN1CCSC1=O | 0.504444 |
Cc1cc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)no1 | C[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 | 0.52746 |
Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccc(Br)cc3C(N)=O)cccc2c1=O | CCn1ncc(CN2CCC(C(=O)Nc3ccccc3-c3cccc(OC)c3)CC2)c1C | 0.605208 |
O=C1CO[C@@H]2[C@@H](c3ccccc3)CN(Cc3ccncc3)[C@@H]2CN1 | C/N=C1/S[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1C | 0.538202 |
C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)c1 | O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN3C(=O)c3ccccn3)[nH]c(=O)c2C1 | 0.734203 |
CO[C@H]1C[C@@H](O)C12CCN(c1cc(C(F)(F)F)ccn1)CC2 | COC(=O)[C@H]1[C@H]2NC(=S)N(c3cccc(Cl)c3)[C@@]1(C)Oc1ccc(Br)cc12 | 0.52343 |
O=C(Cc1ccsc1)N1Cc2nccn2C[C@H](COCC2CC2)C1 | CC[C@@]1(C[C@@H]2C[C@]3(C(=O)OC)c4[nH]c5ccccc5c4CCN3C2=O)COC2(CCCCC2)O1 | 0.62996 |
COc1ccc(C2(C(=O)N3CCC[C@@H](Cc4ccc5cc[nH]c5n4)CC3)CCOCC2)cc1 | COc1ccc(C(=O)N[C@@H]2CCCN(Cc3cccs3)C2)cc1F | 0.5 |
COc1ccc([C@@H]2/C(=C(\O)c3ccc(C)cc3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1OC | CCc1nccc(-c2nccn2Cc2n[nH]c3c2CCC3)n1 | 0.734064 |
CCOC(=O)CN(C(=O)CSc1nnc2c(n1)[nH]c1c(C)cc(C)cc12)c1ccccc1 | COc1ccccc1S(=O)(=O)N(CCC(=O)O)Cc1ccccc1 | 0.523305 |
CCN1CCN(C(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)CC1 | Cc1c([C@@H]2NC(N)=Nc3nc4ccccc4n32)n(C)n(-c2ccccc2)c1=O | 0.79822 |
O=C(Nc1ccn(Cc2cccc(F)c2)n1)c1cc(-c2ccccc2)on1 | Cc1c(Cl)cccc1N1CCN(S(=O)(=O)C[C@@]23CC[C@H](CC2=O)C3(C)C)CC1 | 0.514786 |
COc1ccc(C)cc1CC(=O)N1CCO[C@@H](CCc2ccncn2)C1 | COc1cccc2c1OC[C@@H](NC(=O)C13CC(C(=O)O)(C1)C3)C2 | 0.540173 |
Cn1nnc2c1[C@@H](COCc1ccccc1)CN(Cc1ccc(F)cc1)C2 | Cc1cc(NC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)nn1-c1cccc(C(F)(F)F)c1 | 0.650415 |
COCCCN1C(=O)/C(=C/c2c(NCc3ccc(C)cc3)nc3ccc(C)cn3c2=O)SC1=S | COc1ccccc1[C@H]1CCCN1Cc1cc(C)c(C(=O)O)o1 | 0.653333 |
CC[C@@H](C1=NN2C(=N)/C(=C\c3ccc(C(=O)O)cc3)C(=O)N=C2S1)c1ccccc1 | CN1C(=O)NC(=O)[C@@]2(Cc3cc(C(F)(F)F)ccc3N3CCOC[C@H]32)C1=O | 0.734735 |
Cn1ncc2c1CCC[C@@H]2NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1 | COc1ccc(C(N)=O)cc1NC(=O)N1CCC[C@@H]1c1ccccc1C | 0.644086 |
Cc1c[nH]ccc1=NCCNC(=O)c1ccccc1OC(F)(F)C(F)F | Cc1ccc2c(C)c(C(=O)NC[C@H]3COc4ccccc4O3)oc2c1C | 0.509648 |
C[C@@H](C(=O)N1CCn2nc(CNc3cnccn3)cc2C1)N1CCOCC1 | O=C(c1cncc(-c2ccccn2)c1)N1CCO[C@@H](Cn2cccn2)C1 | 0.60455 |
CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 | COc1ccc2ccccc2c1[S@](=O)N1CCN(c2ccccn2)CC1 | 0.50365 |
CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 | CCN1C(=O)N(CC(=O)N2CCCCCC2)c2cccnc2N1CC | 0.704868 |
Cc1ncccc1O[C@@H]1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 | CCN(Cc1ccncc1)[C@@H]1CN(C(=O)c2cccnc2)C[C@H]1O | 0.52567 |
Cc1ccc2nc(CN3CCO[C@@H]4CCCC[C@@H]43)cc(=O)n2c1 | CCc1ccc(CN(C)C(=O)c2coc(COc3ccccc3F)n2)nc1 | 0.554556 |
COc1cc2c(cc1/C=C/C(=O)Nc1ccccc1OC(F)(F)F)O[C@H](C)C2 | O=C(c1c[nH]nc1-n1cnnn1)N(Cc1ccsc1)C1CCCCC1 | 0.507088 |
Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCCN2CC(=O)NC2CCCCC2)n1 | O=C(c1ccc(CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1)N1CCCC1 | 0.573319 |
CCCCn1c(CN2CC[C@]3(C2)C(=O)Nc2ccccc23)nc2c1c(O)nc(=O)n2Cc1ccccc1 | COC[C@@H](C)N1/C(=N/c2cccnc2)SC[C@]1(O)c1cc2ccccc2o1 | 0.873031 |
COc1ccc(-c2nc(C(=O)N[C@@H](C)c3cnn(C)c3C)cs2)cc1 | COc1ncc(-c2nc(NCc3ccc(F)cc3)ncc2-c2ccsc2)c(OC)n1 | 0.606681 |
Cc1nnc(SCC(=O)Nc2ccccc2N2CCCC2=O)n1Cc1ccccc1 | CCOc1ccccc1N(CC(=O)N1CCC(C)CC1)S(=O)(=O)c1ccccc1 | 0.540043 |
NC(=O)c1nn(-c2ccccc2)nc1NC(=O)CSc1nnnn1-c1ccccc1Cl | CC[C@@H](C)[C@H](NC(=O)CCc1ccc2c(c1)nc(C)c(=O)n2C)C(=O)O | 0.597906 |
CCCCO[C@H]1C[C@@H](N(C)C(=O)CCNC(=O)c2cnccn2)C1(C)C | Cc1cc2c(cn1)CN(C(=O)[C@@H]1CCC(=O)N(C(C)C)C1)C2 | 0.516456 |
CC[C@H](NC(=O)Nc1ccnn1Cc1cccc(F)c1)c1ncnn1CC | COC(=O)c1sc2ncn3nc(CCn4cnc([N+](=O)[O-])n4)nc3c2c1C | 0.694726 |
Clc1ccc(-c2nc(-c3ccncc3)ncc2-c2nnnn2-c2ccccc2)cc1 | COc1cccc(C[C@H]2[C@H]3C[C@H](CN(C(=O)c4ccn(C)c4C)C3)[C@@H]3CCCCN32)c1 | 0.556021 |
CCc1nc(C(=O)N2CC[C@]3(CNc4ccccc43)C2)no1 | Cc1ccsc1CN(C)C(=O)c1nc(N)nc2c1CCCC2 | 0.6174 |
CC1(C)C[C@H]2[C@H](CCCN2C(=O)CCCc2cn[nH]c2)N1c1cccc(C(F)(F)F)c1 | COc1ccc(-c2cc(C)cc3c2O[C@@H](CNC(=O)c2ccccc2C(F)(F)F)C3)nn1 | 0.633437 |
CN(C)c1ccc(/C=N\N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 | COc1cc2c(cc1OC)[C@@H](CC(=O)Nc1ccccc1)C(=O)N=C2C | 0.518729 |
COc1cc(C[C@]2(CCC(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)CCC(=O)N2)ccc1F | CCOc1cc([C@@H]2/C(=C(\O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)ccc1O | 0.604531 |
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/NC(=O)NC2=O)c1C | Cc1ccc(CN2Cc3cccn3[C@H](CCOCC3CCOCC3)C2)o1 | 0.521882 |
Cc1c(Nc2ccc([N+](=O)[O-])ccc2=O)c(=O)n(-c2ccccc2)n1C | O=C(NOCC(F)F)c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1 | 0.66802 |
COCC(=O)NCCn1nc(-c2cccnc2)cc1-c1cccs1 | COCCOc1ccc2c(c1)CCOC21CCN(c2ccncc2F)CC1 | 0.555556 |
CCN(Cc1cnn(C)c1)C[C@H]1CN(c2ccccc2)C(=O)O1 | O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 | 0.521998 |
Cc1c(Br)c(C(=O)NCc2ccc(-n3cccn3)cc2)nn1C | Cc1nccn1-c1ccccc1CNC(=O)c1cnoc1-c1ccccc1 | 0.565022 |
Cc1nc(C(C)(C)C)nc2sc(C(=O)N[C@H](C)c3cccnc3)c(C)c12 | CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(SC)cc3)CC2)cc1 | 0.561895 |
CC1CCN(C(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCC[C@H]4C)ccc32)CC1 | CC1(C)CC(NC(=O)CCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC(C)(C)N1 | 0.627137 |
CN(C)c1ccc(C(=O)N2C[C@@H]3OCCN(c4ccnc(N(C)C)n4)[C@@H]3C2)cc1 | CCc1nc2sc([C@H](c3ccccc3Cl)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 | 0.742944 |
Cc1cn2c(n1)CC[C@H](NCc1ccc(F)c(C(F)(F)F)c1)C2 | COCCN1CCC(C(=O)N2CCO[C@H](CO)[C@H]2c2ccccc2)CC1 | 0.510983 |
O=C(Nc1nnc(C2CC2)s1)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 | CNC(=O)c1cn(C)nc1CC1CCN([C@@H]2COC[C@H]2O)CC1 | 0.538462 |
Cc1cccc(C)c1N(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 | COc1ccc(CN2COc3ccc4c(oc(=O)c5cc(OC)ccc54)c3C2)cc1 | 0.628245 |
CC(C)(C)c1ccc(COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 | CC(=O)N1CCC2(CC1)C[C@@H](C(=O)O)N(C(=O)CCc1nc(C)n[nH]1)C2 | 0.508523 |
Cc1ccc(C)c(-c2csc(NC(=O)CSc3nnc4ccccn34)n2)c1 | O=C1C[C@@H](c2nc3ccccc3n2C[C@@H](O)COc2ccc(Cl)cc2)CN1Cc1ccccc1 | 0.625387 |
Cc1[nH]c2c(C(=O)N3C[C@@H]4c5ccccc5OC[C@]4(CO)C3)cccc2c1C | COC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(C)cc3)c2)cc1 | 0.565445 |
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