p1
stringlengths 9
246
| p2
stringlengths 10
231
| similarity
float64 0.09
1
|
|---|---|---|
O=C(CSc1ncn(-c2ccccc2)n1)N1c2ccccc2S[C@@H]2C=CC=C[C@@H]21 | CCOc1cc(N2CC[C@@H]3OCCC[C@H]3C2)ncn1 | 0.525708 |
COc1ccc2c(c1)cc(C(=O)N(C)Cc1cnn(-c3ccccc3C)c1)n2C | CN(C)Cc1cccc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c1 | 0.539474 |
COc1ccc2[nH]cc(C3=CCN([C@H](C)C(=O)Nc4ccccc4C)CC3)c2c1 | CN(C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccn3nnnc3c2)C1 | 0.61242 |
O=C(Cc1cccc(F)c1F)NCc1nnc(C2CC2)n1C1CC1 | CC(C)CNC(=O)CN1C(=O)S/C(=C\c2ccccc2OCc2cccc(F)c2)C1=O | 0.547357 |
Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)c3nonc3C)C2)n1 | CCOC(=O)C[C@@H](NC(=O)c1ccc(=O)n(CCOC)n1)c1cccc(OC)c1 | 0.60274 |
N#Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3CC3CC3)C2)cn1 | CC[C@@H](C)NC(=O)[C@H](CCSC)NC(=O)N1CCn2c1nc1ccccc12 | 0.606874 |
N#CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(Cl)c1 | O=S(=O)(NC[C@]1(O)CCCc2occc21)c1ccc2c(c1)CCO2 | 0.679918 |
CNS(=O)(=O)c1ccc([C@H](C)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)cc1 | Cc1cnc2ccccc2c1C(=O)Nc1cnn(C(F)F)c1C | 0.554817 |
CS(=O)(=O)c1ccc([C@H](O)CN2CCC[C@@H]2CN2CCc3ccccc32)cc1 | CSCC[C@H](C(=O)O)N1C(=O)/C(=C2/C(=O)N(CC(=O)O)c3ccccc32)SC1=S | 0.636272 |
CCCOc1ccc(CN2Cc3ccccc3N(C(C)=O)CC[C@H]3CC[C@@H](C2)N3S(C)(=O)=O)cc1 | Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C(=O)O)on2)cc1 | 0.572805 |
CN(c1ccccc1)c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1 | CO[C@H]1CC[C@H](NC(=O)c2cc(C)nc3onc(C)c23)CC1 | 0.589608 |
CN(C)CC(=O)N1CCCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2cccnc2)n1 | CC(C)(C)c1ccc(=O)n(C2CCN(S(=O)(=O)c3ccc(OCC(N)=O)cc3)CC2)n1 | 0.618491 |
COCCC1(CNS(=O)(=O)c2cccc3c2OC(C)(C)C3)CC1 | O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(O)cc1)c1ccc2c(c1)OCCO2 | 0.630593 |
CCS(=O)(=O)N1CCc2cc(C3=NN=C(Nc4ccccc4)SC3)ccc21 | Cn1cnc2cc(C(=O)NCCCc3nc4ccc(Cl)cc4[nH]3)ccc2c1=O | 0.522995 |
CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C | COCCOCC(=O)N1CC(=O)N(c2ccccc2C#N)C[C@@H]1C | 0.535755 |
O=C(OCC(=O)N1CCNC1=O)c1cc2c(s1)CCCCCC2 | O=C(Nc1cccc(F)c1F)C(=O)N1c2ccccc2C[C@H]1CNC(=O)C(F)(F)F | 0.570664 |
O=C1CC[C@H]2CN(c3ccc4ncc(Br)n4n3)CCN12 | CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@H]12)c1ccccc1 | 0.599562 |
C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2C(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)C1 | CC(C)(C)N/N=C(C(/O)=N/c1n[nH]c(=S)[nH]1)\[C@@H]1C(=O)Nc2ccccc2[S@@]1=O | 0.653251 |
Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)Nc4ccc(F)cc4F)ccc32)cc1 | C[C@H](O)CNc1nc2ccccc2n1Cc1cccc([N+](=O)[O-])c1 | 0.52443 |
COc1ccc(S(=O)(=O)N2CCc3[nH]c4ccccc4c3C2)cc1[N+](=O)[O-] | C[C@@H](NC(=O)c1ccc2c[nH]nc2c1)C(=O)Nc1ccc(-n2cnc3ccccc32)cc1 | 0.644792 |
C[C@H](NC(=O)OC(C)(C)C)c1noc(C[C@H]2C=CCC2)n1 | CC(=O)N1CCN(c2cc(-c3cc(C(F)(F)F)c4c(N)ncnn34)ccc2C#N)C(=O)C1(C)C | 0.519757 |
CCc1nn(C)c(NC(=O)N(C)Cc2noc(C3CCCC3)n2)c1CC | CC[C@@]1(C(=O)OC)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 | 0.744786 |
Cc1ncnc(N2CCN(C(=O)c3ccccc3-n3cncn3)CC2)c1C | Cc1ncnc(C)c1C(=O)N[C@@H](CCN(C)C)c1ccccc1 | 0.504046 |
O=C(c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1)N1CCN(c2cccc(Cl)c2)CC1 | O=C(C[C@H]1C(=O)Nc2nc(-c3ccccc3)nn21)Nc1ccccc1Cl | 0.567132 |
O=C(N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1ncccc1O | C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1 | 0.652749 |
NS(=O)(=O)c1ccc(N/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 | Cc1csc2c(N3Cc4ccccc4[C@@H](O)C3)ncnc12 | 0.588418 |
O=C1OC(c2ccccc2)=C(C(=O)c2ccccc2)C1=O | COc1ccc(-c2nnc([C@]3(OC)CCOC3)o2)cc1C1CC1 | 0.599579 |
O=C1C[C@@H](C(=O)N[C@@H]2CCc3c(F)cccc32)c2ccccc21 | CC(C)n1cc(Nc2ncnc3sc(-c4ccccc4)cc23)cn1 | 0.568376 |
O=C(CSc1nnc2ccc(-c3cccs3)nn12)NC[C@@H]1CCCO1 | CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)c5cccc(Cl)c5)C[C@@H]4C3)nn12 | 0.646872 |
COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 | CCN(CC)C(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(F)c1 | 0.604925 |
O=C(CSc1nc2cc(Cl)cnc2[nH]1)N1c2ccccc2OC[C@@H]1c1ccccc1 | C=CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 | 0.635135 |
O=c1c2oc3nc4c(cc3c2ncn1Cc1ccccc1Cl)CCCC4 | COc1cc(CC(=O)OCC(=O)Nc2sc3c(c2C#N)CCCC3)cc(OC)c1OC | 0.714859 |
C=CCNC(=S)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] | CCCCC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(F)c1 | 0.339056 |
COc1ccc(-n2nc(C)c([C@H]3CCC(=O)N3)c2C)cc1Cl | CCn1cnc2c(N3C[C@@H]4CN(C(=O)NC5CCOCC5)C[C@H]4C3)ncnc21 | 0.607621 |
O=S(=O)(NC[C@]1(O)CCOc2ccccc21)c1ccc(N2CCCCS2(=O)=O)cc1 | O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1cnc2n1CCCC2 | 0.624355 |
COc1ccc(CNC(=O)[C@@H]2CCCN(c3ccc(-c4ccc(C)c(C)c4)nn3)C2)cc1OC | Cc1ccc2nc(-n3nc4c5c(cccc5c3=O)-c3ccccc3-4)sc2c1 | 0.694641 |
COc1ccccc1[C@H](CCN[C@@H]1CCO[C@@H](C(C)C)C1)c1ccco1 | CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)[C@]1(C)Cc2ccccc2C(=O)O1 | 0.588235 |
Cc1cc(-c2nnc(S)n2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)[nH]n1 | O=C(c1ccc(Cl)cc1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 | 0.60733 |
COc1ccc(C(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2C)cn1 | O=c1oc2cc(O)ccc2cc1-c1nnc(NC2CCCCC2)s1 | 0.674797 |
COc1ccc([C@@H](CNC(=O)c2cc(-c3cccnc3)nc3ccccc23)N2CCOCC2)cc1 | Cc1nc(-c2ccccc2)nc2c1[C@@H]1[C@@H](C2)C1(C)C | 0.563966 |
Cc1ccc(N2C(=O)c3cccc4c(NC(CO)(CO)CO)ccc(c34)C2=O)cc1C | CC1=NN(c2ccccc2)C(=O)/C1=C\n1c(=S)[nH]c2ccccc21 | 0.565775 |
Cc1ccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCCN(C)C)o1 | COCCN1CC[C@]2(CCC1=O)CN(c1ncccn1)CCN2C | 0.564128 |
CN1C(=O)COC[C@@H]2CCN(Cc3ccc(F)c(F)c3)C[C@@H]21 | CCOc1ccc(-c2nc(Cn3nnc(C(=O)Nc4cccc(C)c4)c3N)c(C)o2)cc1OC | 0.516029 |
CCN(Cc1ccccc1)C(=O)c1n[nH]nc1Nc1ccccc1F | O=C(c1cncs1)N1CCC[C@H]1c1ccn[nH]1 | 0.543353 |
NC(=O)CN1CCC(Nc2nc(CSc3ccc(Cl)cc3)nc3sc4c(c23)CCC4)CC1 | O=C(CN1CCOCC1)Nc1ccccc1NC(=O)c1cccc2nccnc12 | 0.602285 |
CN1CCN2[C@H](C1)C(=O)N(CC1CC1)C21CCN(C(=O)c2cn3ccccc3n2)CC1 | C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N(C)c1ccccc1 | 0.501071 |
O=S(=O)(Nc1ccccc1)C1CN(Cc2nc(O)c3sccc3n2)C1 | CNC(=O)CC1(Cc2nc3cccnc3n2CC(C)C)CCCC1 | 0.547149 |
COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@H]23)c(OC)c1 | Cc1cccc(CS(=O)(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1 | 0.514964 |
COc1ccc(CCNC(=O)c2ccccc2NC(=O)COC(=O)c2ccc(-n3cccn3)nc2)cc1 | Cc1ccccc1N1C(=O)C[C@H](N2CCN(c3ccccc3O)CC2)C1=O | 0.568928 |
Cc1ccc(C2(C(=O)Nc3ccc(N4CCOCC4)c(Cl)c3)CCCC2)cc1 | COc1ccc(N(CC(=O)NCCOc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 | 0.506961 |
O=C(Cn1cnc2ccccc2c1=O)N1C[C@@H]2C[C@@H](C1)[C@@H]1CCCC(=O)N1C2 | COc1ccc(-c2nc(CC(=O)NCc3ccco3)cs2)cc1OC | 0.508343 |
CCOC(=O)[C@@H]1O[N+]([O-])=C(c2ccc(OC)cc2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 | Cn1c([C@@H]2CCCN2CCCN2C(=O)NC(C)(C)C2=O)nc2ccccc21 | 0.630817 |
CC(C)(C)C(=O)Nc1ccc(N2CCN(c3nccnc3C#N)CC2)cn1 | CC[C@@H](C)Cn1c([C@@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 | 0.557609 |
COc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 | CCCCN(C)C(=O)CSc1nccn2nc(-c3ccc(C)c(C)c3)cc12 | 0.612245 |
CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC)CC1 | COc1ccc([C@@H]2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1OC | 0.628514 |
CC[C@@H](OC(=O)c1ccccc1CN1C(=O)CNC1=O)C(=O)Nc1ccccc1 | CC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(C)C)cc3)C2)c1 | 0.525761 |
COC1(CC(=O)N2CCC3(CC2)OCCn2c(CN(C)CC4CC4)cnc23)CCC1 | C[C@@]1(O)CCN(C(=O)C2CCOCC2)C[C@H]1n1ccc(O)nc1=O | 0.637045 |
C[C@H](C(=O)N1CCc2sccc2C1)n1cncn1 | O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 | 0.5 |
CCn1cnnc1[C@@H]1CN(c2cc(C)nc(C)c2C#N)CCO1 | CCOC(=O)c1ccc(N2C(=O)[C@H](Oc3ccc(OC)cc3)[C@@H]2c2ccccc2OC)cc1 | 0.645621 |
COc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@@H](N2CCc3ccccc3C2)C1=O | O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc2c(c1)OCO2 | 0.635684 |
COc1cc(N2CCN(Cc3ccc(C)o3)[C@H](CCO)C2)nc(N)n1 | CCn1nc(C)c2c1cnn2CC(=O)N(C)Cc1ccnn1C | 0.551836 |
CC(=O)c1cc(C#N)c(S[C@@H](C)C(=O)Nc2cc(C)on2)nc1C | O=C(O)c1cncc(-n2cc(C[C@@H](CC(F)(F)F)NC(=O)c3cncc(F)c3)nn2)c1 | 0.620942 |
O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCC[C@H](c2nc3ccccc3s2)C1 | Cn1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)n1 | 0.575157 |
O=C(COC(=O)[C@@H]1CCCc2cn[nH]c21)NCCc1nc2ccccc2s1 | O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)NC(=O)NCc1ccccc1 | 0.673868 |
O=C(NCCc1c[nH]c2ccccc12)[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 | CC(C)(C)n1cnc(C(=O)N[C@H](Cc2ccccc2)c2ncon2)n1 | 0.523915 |
Cc1ccn2c(CN3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)c(C)nc2c1 | Cc1cccc([C@@H](NC(=O)c2cccnc2N(C)C)C2CC2)n1 | 0.603875 |
CCOc1ccc(NC(=O)Nc2ccc(SCc3cc(=O)n4oc(C)cc4n3)cc2)cc1 | CCc1nn2c(N3CCN(c4ccccn4)CC3)cc(C)nc2c1-c1ccccc1 | 0.671473 |
CCc1nnsc1C(=O)N1CCC[C@@H]1c1ccnc(O)n1 | CC(C)c1cc(C(=O)N2CC[C@H](Oc3cccnc3)C2)cc(O)n1 | 0.568606 |
C[C@H]1CCN(Cc2nnc3c(=O)n(C)ccn23)C[C@@H]1O | O=C1C[C@H](C(=O)O)C2(CCN(c3cc(C4CC4)ncn3)CC2)N1 | 0.517467 |
CCN(CC)[C@H](c1cc2ccc(C)c(C)c2[nH]c1=O)c1nnnn1Cc1ccccc1 | Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 | 0.614984 |
CC(C)[C@@H](NC(=O)CN1Cc2ccccc2C[C@H]1C(N)=O)c1ccc2c(c1)OCCCO2 | O=C(NN1C(=O)/C(=C/c2ccccn2)SC1=S)c1ccc(F)cc1 | 0.577991 |
O=c1[nH]c(CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)nc2ccccc12 | CC(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)c(=N)s1 | 0.574689 |
Cc1cc(OC[C@H](O)CN2CCN(c3ccccc3F)CC2)ccc1C(C)C | COc1ccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCC(C)CC3)cc1OC | 0.505051 |
Cc1ccccc1-c1noc(-c2ccc(N[C@H](C)Cc3cnccn3)nc2)n1 | CC(C)(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 | 0.619348 |
CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(CCc2ccc3c(c2)CCO3)C1 | N#Cc1c(NC(=O)CCN2CCN(C(=O)c3ccccc3)CC2)sc2c1CCCCC2 | 0.564693 |
COc1cc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)nc2ccccc12 | O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 | 0.628866 |
O=C(COC(=O)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1C(=O)O[C@H]3C2)Nc1cccc([N+](=O)[O-])c1 | COc1ccccc1N1/C(=N/C(=O)CC#N)S[C@@H]2CS(=O)(=O)C[C@@H]21 | 0.520945 |
CCN1CCN(C(=O)c2cc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)ccc2Cl)CC1 | O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 | 0.647761 |
C[C@H]1CCCCN1c1ccc(N2CCN(C(=O)/C=C/c3ccco3)CC2)nn1 | COc1ccc(OC)c(/C=C2\Oc3c(ccc4c3CN(Cc3cccnc3)CO4)C2=O)c1 | 0.504803 |
Cc1ccc(O)c(C(=O)c2cc(C(=O)Nc3ccccc3C)c(=O)n(-c3ccccc3C)c2)c1 | CCOC(=O)[C@]1(Br)C(=O)Oc2ccccc2[C@@H]1c1ccccc1 | 0.65109 |
Cc1nc(NC(=O)[C@@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2cccnc2N3)sc1C | Cc1ccc(N2C[C@H](NC(=O)N3CCN(c4ccccn4)CC3)CC2=O)cc1 | 0.57508 |
CCS(=O)(=O)N1CCC2(CC1)CN(c1ccsc1)C(=O)CO2 | O=C(O)c1ccccc1S[C@@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O | 0.522926 |
COCC(=O)Nc1cc(NC(=O)c2ccccn2)ccc1OC | Cc1cncc(N2C[C@@H]3[C@H](CNC(=O)c4cc(C)oc4C)[C@H]4CC[C@]3(C2)O4)n1 | 0.50929 |
CC(=O)NCCOc1ccc(-c2nc(C3CC3)nn2CCO)cc1 | CCOc1ccccc1N1C[C@@](O)(c2ccc(Cl)cc2)[N+]2=C1SCCC2 | 0.641624 |
CCCN1c2cc(F)c(C(=O)O)cc2C(C)=CC1(C)C | CC(=O)OCC/C(SC(C)=O)=C(\C)N(C=O)Cc1cnc(C)nc1N | 0.501657 |
Cc1csc(C(=O)O)c1S(=O)(=O)NCCCn1cccn1 | Cc1nc2c(c(N3C[C@H]4CN(C(=O)c5cnn(C)c5)C[C@@H]4C3)n1)CCC2 | 0.594049 |
CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1nc2sccn2c1[N+](=O)[O-] | O=C(c1cc(Cl)c2c(c1)OCCCO2)N(C[C@H]1CCOC1)c1ccccc1 | 0.608008 |
CC(C)(C)C(=O)Nc1ccc(-c2nc3ccccc3s2)c(OCC(=O)O)c1 | COc1cc2c(cc1/C=C/C(=O)Nc1ccc(F)cc1F)O[C@H](C)C2 | 0.502203 |
CCCCN1CC(=O)N2[C@@H](c3ccc(OC(C)C)c(OC)c3)c3[nH]c4ccccc4c3C[C@H]2C1=O | COc1nc2ccccc2cc1-c1cnsc1 | 0.548454 |
O=C(NCc1nnc2ccccn12)c1ccc2[nH]nnc2c1 | CO[C@H]1C[C@@H](C(=O)Nc2nc3cccnc3n2C)N(C)C1 | 0.523179 |
Cc1ccc(C(=O)N2CCC[C@@]3(CC(C(=O)NCc4ccncc4)=NO3)C2)cc1C | CCN1CCC[C@H]1Cc1c(C(=O)NCCOC)sc2ccccc12 | 0.584137 |
C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)C[C@@H](c2ccccc2)O1 | CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N/C(=O)c1ccncc1 | 0.64004 |
CC(C)(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 | Cc1sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)c(C(N)=O)c1-c1ccccc1 | 0.647059 |
CN(Cc1cc(Cl)ccc1OCc1ccccc1)[C@@H]1CCC[C@@H](N2CCNC(=O)C2)[C@@H]1O | O=C(NCc1ccc2c(c1)OCO2)c1nc(Cn2c(C(F)(F)F)nc3ccccc32)no1 | 0.537726 |
Cc1ccc(F)cc1C(=O)N1CC[C@@]23OC[C@@H](c4ccccc4)N2C(=O)C[C@@H]13 | CN(CC1=CC(=O)n2c(nc3ccccc32)[C@H]1C#N)Cc1ccccc1Br | 0.768849 |
CC[C@@H](Nc1nc(C)c(C)c(C)n1)c1ccnn1C | Cc1cc(C(=O)CSc2ccc(S(=O)(=O)N(C)C)cn2)c(C)n1C[C@@H]1CCCO1 | 0.503282 |
O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCN(c2nccs2)CC1 | COc1ccc(C(=O)N2CCOC[C@@H]2Cc2c[nH]c3ccccc23)cc1Cl | 0.596234 |
COc1ccccc1CNC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 | Cc1ccccc1-c1nnc(SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)n1C | 0.594187 |
Cc1ccccc1-n1c(CNc2ccccc2)nnc1SCC(=O)Nc1nccs1 | O=c1nc2n(c3sc4c(c13)CCCC4)[C@@H](CSc1ccccc1)CS2 | 0.718593 |
CSc1ncc(C)c(OCC2CCN(Cc3c4c(nn3C)CCC4)CC2)n1 | COCCCN1C(=O)S/C(=C/c2cccn2-c2ccccc2)C1=O | 0.58661 |
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