p1
stringlengths 9
246
| p2
stringlengths 10
231
| similarity
float64 0.09
1
|
|---|---|---|
COC(=O)c1c(NC(=O)c2c(C)cc(C)cc2C)sc2c1[C@@H](C(=O)OC)CC2 | CCCCN(C(=O)c1ccc(F)c2ccccc12)c1cccnc1 | 0.596095 |
Cn1ncc2c1CCC[C@H]2NC(=O)Cn1ccc2ccc(F)cc21 | COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2cccc(OC)c2OC)cc1OC | 0.736634 |
COc1cc2c(cc1NS(C)(=O)=O)[C@H](c1c(C)noc1C)CC(=O)N2 | CCOC(=O)c1sc(NC(=O)c2ccc3c(c2)OCO3)c(C(=O)NC2CCCCC2)c1C | 0.748 |
O=C(Nn1ccc2c(nnc3ccnn32)c1=O)c1ccc(Cl)cc1Cl | Cc1cc(-c2cn(-c3nccs3)nc2C)c2ncnc(O)c2c1 | 0.70082 |
Cc1ccccc1[C@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)c1ccccc1 | CCc1nn2c(=O)cc(CN(C)CCc3scnc3C)nc2s1 | 0.51634 |
Cc1nscc1C(=O)Nc1ccnn1Cc1ccsc1 | CCOc1ccc([C@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1 | 0.587024 |
CCNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 | O=C(Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C=C(c1ccccc1)N2)c1cccc([N+](=O)[O-])c1 | 0.701417 |
O=C(N[C@@H]1C[C@H]2CO[C@@H](CCO)CN2C1)c1ccccc1-c1ccccc1F | Cc1cnn(C[C@@H]2CCCN2CC(=O)Nc2cc(C(C)(C)C)no2)c1 | 0.528153 |
CN(C(=O)C1CCOCC1)[C@H](Cc1ccccc1)C1CCN(Cc2cccn2-c2nccs2)CC1 | CNC(=O)C12CCCCN(C(=O)c3csc(N)n3)CCOc3ccccc3C(=O)N(CC1)CC2 | 0.650169 |
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)o2)cc1Cl | Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)s1 | 0.57362 |
C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 | COC(=O)CNC(=O)c1cnc(N2CCC[C@@H]2c2ccc(Cl)cc2)nc1CCc1ccccc1C | 0.655789 |
O=C(C[C@@H]1CCCO1)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1 | CC(=O)c1c(C)nn(CC(=O)N2C[C@@H](Cc3ccnc4ccccc34)[C@H](O)C2)c1C | 0.583512 |
Cn1cncc1[C@H]1C[C@H](NCc2ccc(Cl)c3cccnc23)CCO1 | CC[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1)c1ccc(C)c(C)c1 | 0.551087 |
C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)NC2=O)c(C)c1 | Cc1ccc(N[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 | 0.510799 |
CCOC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(F)cc2)c1 | Cc1cc(C)c2c(c1)N(CN1CCN(C(=O)C(C)C)CC1)C(=O)C2=O | 0.582781 |
CN(Cc1ccccc1)C(=O)CSc1nc2ccsc2c(=O)n1CCCN1CCOCC1 | Cn1ncc2c1N=C(O)C[C@@H]2c1ccc(F)c(F)c1F | 0.674686 |
Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 | CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)C1=O | 0.575135 |
CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1c(F)cccc1Cl | COCC[C@]1(C(=O)O)CCCN(CC(=O)NCc2ccccc2F)C1 | 0.500724 |
Cc1ccc(N2C(=O)/C(=C\NCCCN3CCOCC3)c3ccccc3C2=O)cc1 | Cn1cc(Cl)cc1C(=O)N[C@H]1COC2(CCCCC2)C1 | 0.571278 |
O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NC[C@@H](CO)c1ccc(Cl)cc1 | COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)CC1 | 0.570981 |
CN(C)c1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)[C@H]3C[C@H]4C=C[C@H]3O4)cc2)n1 | CS(=O)(=O)c1ccccc1-n1cc(N[C@H]2CCCSC2)cn1 | 0.559874 |
O=C(COc1ccc(F)cc1)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 | Cc1noc(CC(=O)N2CC[C@@]3(C2)C(=O)N(C)C[C@@H]3c2ccccc2)n1 | 0.607735 |
O=C(NCc1cccnc1N1CCOCC1)C1CCN(c2ccc(-n3cncn3)nn2)CC1 | Fc1ccc(C2=CCN(Cc3c(C4CC4)[nH]c4ncccc34)CC2)cc1 | 0.6283 |
CS/C(=C\c1ccc(C(=O)c2ccc(C)cc2)n1C)[S@](C)=O | COc1cccc([C@@H]2CC(=O)N(c3cccc(Cl)c3)C3=C2C(=O)OC3)c1 | 0.56765 |
COc1ccc(-n2c(-c3ccc(O)cc3)n[nH]c2=O)c(C)c1 | O=C(Nc1ccccc1[N+](=O)[O-])[C@H]1CC(O)=Nc2nc3ccccc3n21 | 0.592092 |
COC(=O)C1=C(C)Nc2nc(SC)nn2[C@@H]1c1ccc(C)o1 | C[C@@H](NC(=O)Nc1nnc(C2CC2)s1)c1ccc2c(c1)CC(=O)N2 | 0.655378 |
C=CCN1CCN(c2ccncc2S(=O)(=O)N2CCN(C)CC2)CC1 | Cc1nsc(N2C[C@@H]3CCC[C@H](NC(=O)[C@H]4CC45CC5)[C@H]3C2)c1C#N | 0.508949 |
Cn1c(=O)n(C)c2cc(CNC34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)ccc21 | CCC(C)(C)n1nnnc1[C@@H](c1ccccc1OC)N1CCN(c2cccc(C)c2C)CC1 | 0.527542 |
CN1C(=O)C2(CCN(CC(N)=O)CC2)C[C@@H]1Cc1ccccn1 | C[C@@H]1CCCC[C@@H]1NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O | 0.545852 |
CN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1 | O=C(N[C@@H]1CCS(=O)(=O)C1)c1nc(C(=O)N2CCCC2)c2ccccn12 | 0.578947 |
C[C@@H](N=c1[nH]c2c(F)cccc2n1C)C(=O)N1c2ccccc2C[C@@H]1C | O=C1O[C@H]2c3ccc([N+](=O)[O-])cc3C(=O)N2c2ccccc21 | 0.730769 |
CCN(Cc1cccc(S(=O)(=O)N2CCOCC2)c1)Cc1ccc(Br)s1 | Cc1ccc(C)c(Oc2ccc(CNC(=O)[C@@H](C)NC(=O)c3cccs3)cn2)c1 | 0.504222 |
O=C(c1ccc2c(c1)OCCO2)N1CCC[C@@H](c2cccc(Nc3cnccn3)n2)C1 | C#CCn1cnc(-c2ccccc2)c1-c1cccc(Cn2cccn2)c1 | 0.542194 |
CCc1nccn1CCCNC(=O)[C@@H]1NCCc2nc[nH]c21 | COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cn1nc(C)cc1C | 0.529543 |
Cc1nn2c(ncc3c(=O)n(CCCC(=O)O)ccc32)c1-c1ccc(Cl)cc1 | C[C@@H](C(=O)Nc1ccccc1N1CCOCC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O | 0.531983 |
N#C/C(C(=O)NCc1ccccc1)=c1\s/c(=C/c2ccc(F)cc2)c(=O)n1-c1ccccc1 | O=c1[nH]nc(S(=O)(=O)Cc2ccccc2)n1C[C@@H]1CCCO1 | 0.603889 |
C[C@@H](NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@@H]1O2)c1ccc2c(c1)OCO2 | CCOc1ccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3cccc(C)c3)c2=O)cc1 | 0.681864 |
C=CCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C(C)N2CCC | CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccccc1-n1cnnn1 | 0.598706 |
Cc1cc(O)n2nc([C@H]3CCCN3C(=O)c3cccnc3)cc2n1 | C[C@@]1(c2ccsc2)NC(=O)N(C[C@@H](O)C2CCCCC2)C1=O | 0.634146 |
CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1nccs1 | Cc1cccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3nc(C(F)(F)F)nn32)c1 | 0.53666 |
O=C(O)CCCc1nc(-c2cc3ccccc3nc2O)no1 | CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCCCN2C(=O)c2ccc(-n3cccn3)nc2)n1 | 0.606591 |
CCN(C[C@H]1CCCO1)C(=O)C[C@@]1(c2ccc(OC)cc2)CC(=O)N(C2CCCC2)C1=O | COc1cccc2sc(NCc3ccc([S@@](C)=O)cc3)nc12 | 0.528962 |
O=C(CN1CCCC1=O)N[C@]1(C(F)(F)F)NC(=O)N(C2CCCC2)C1=O | Cc1noc([C@]23CCC[C@H]2CN(C(=O)CCC2(O)CCC2)C3)n1 | 0.515385 |
COc1ccc(-c2c(C)nn3c(N4CCC(O)CC4)c4c(nc23)CCCC4)cc1 | CN1O[C@H](COC(=O)c2cccc(C(F)(F)F)c2)C[C@H]1c1ccccc1 | 0.578521 |
Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)C[C@H](C)n1nc(C)c(Cl)c1C | COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)COc1ccccc1F | 0.679321 |
O=C1CN(Cc2ccccc2O)C(=O)N1[C@H]1C[C@H](Oc2ccccc2)C1 | O=C(NCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccc(Br)cc1 | 0.589109 |
CNC(=O)c1nn(Cc2cc(F)cc(Br)c2)c(=O)c2ccccc12 | COc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccc(C)c(C)c2)c1N | 0.592789 |
N#Cc1cccc(COC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 | O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)N1CCN(C(=O)c2ccco2)CC1 | 0.549127 |
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(OCC(=O)NC3CC3)cc2)cc1 | CN(c1ccc(OCC(=O)N2CCN(c3ccccn3)CC2)cc1)S(=O)(=O)c1cccs1 | 0.644068 |
COc1ccc(NC(=O)c2sc3nc4cc5c(cc4cc3c2N)OCO5)cc1 | Cc1c(Cl)c(C(=O)N2C[C@H]3COCC[C@@]3(O)[C@@H]3COCC[C@@H]32)nn1C | 0.636456 |
Cc1ccc(C(=O)N2CCC[C@H]2c2nnc3ccccn23)c(=O)[nH]1 | Nc1c[nH]nc1[C@H]1CCN(C(=O)C2CCC(n3cccc3)CC2)C1 | 0.564533 |
CC(C)(NC(=O)c1nccnc1N)C1CCN(C(=O)[C@@H](O)Cc2cnc[nH]2)CC1 | COc1ccc(F)c(F)c1C(=O)N1CCC(c2cc(=O)[nH]c(C)n2)CC1 | 0.555556 |
O=C(CCN1CCC[C@H]1Cn1cncn1)N1CCc2ccccc21 | O=C(Nc1cccc(Cn2ccnc2)c1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 | 0.557286 |
CCN1C(=O)C(=CNc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)C(=O)N(CC)C1=S | CCN1C[C@@H](c2ccccc2)CC2(CCN(C(=O)Cn3cccnc3=O)CC2)C1 | 0.534807 |
Cc1c(Nc2scc(-c3ccccc3)[n+]2C)c(=O)n(-c2ccccc2)n1C | Cc1nccc([C@@H]2CCCN(C(=O)c3cnco3)C2)n1 | 0.579918 |
CC1(C)CCCN1C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 | CCN(Cc1cccc(NC(=O)N[C@@H]2CCOc3ccccc32)c1)C(C)=O | 0.519651 |
COc1cccc(-n2c(S[C@H]3CCOC3=O)nc3ccccc3c2=O)c1 | Cc1ccccc1Cn1c(NN)nc2c1c(=O)[nH]c(=O)n2C | 0.634021 |
COc1ccc([C@H](CC(=O)NCCN(C)C)c2c(O)cc(C)oc2=O)c(OC)c1OC | C=CCOc1ccccc1C=c1sc2n(c1=O)CCN=2 | 0.626834 |
CCc1cc2c(N3CCCN(S(=O)(=O)c4c(C)noc4C)CC3)ncnc2s1 | C=CCSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCCC4 | 0.834826 |
C[C@H](Sc1nnc(C(C)(C)C)n1N)C(=O)Nc1ccc(OCc2ccccc2)cc1 | CC(C)CN1C[C@@H](OCc2ccccn2)CN(Cc2cccn2-c2cccnc2)CC1=O | 0.503893 |
CCCn1c(CN2CCC[C@H](C)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 | COc1ccccc1Nc1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(Oc3ccccc3)cc1)CC(=O)N2 | 0.628834 |
COC(=O)c1ccc(NC(=O)CSc2nnc3c(n2)-c2cccc4cccc-3c24)cc1 | C#CCOc1ccc([C@@H]2CC(=O)N=C3NC=NN32)cc1OCC | 0.612096 |
COc1ccc2c3c1O[C@H]1[C@@]4(OC)C=C[C@@]5(C[C@@]4(C)C(C)(C)O)[C@@H](C2)N(C)CC[C@]315 | Cc1ccccc1[C@@H]1NS(=O)(=O)N=C1N | 0.507921 |
Nc1nc(N2CCC[C@H]2c2ncc(-c3ccccc3F)[nH]2)[nH]c2ncnc1-2 | O=c1c(-c2nc(C3CC3)no2)cccn1Cc1noc(-c2ccccc2F)n1 | 0.674636 |
CC[C@@H](NC(=O)[C@@H](n1cc(CNC)nn1)C(C)(C)C)C1CCCC1 | C[C@@H]1Oc2ccccc2N(C/C(O)=N/c2nc3ncccn3n2)C1=O | 0.516542 |
Cc1c(C(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)cnn1C | COc1ccc(-c2ncc(C(=O)N3CCc4ccccc4C3)c(C)n2)cc1 | 0.566583 |
CCOc1cc(C(=O)N2CCc3sccc3C2)ccc1OC | Cc1nc(-c2ccco2)ccc1C(=O)N1CCC(c2cn[nH]c2)CC1 | 0.524862 |
COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cccnc2)n1N | COc1ccc(OC)c([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN2CCOCC2)c1 | 0.708835 |
COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccccc2)cc1 | CCCCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC(C(N)=O)CC1 | 0.589717 |
Cc1cc(C)cc(Oc2nccn3c(=O)n(CC(=O)Nc4c(C)cc(C)cc4C)nc23)c1 | CCCCc1ccc(NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1 | 0.607595 |
CCc1nnsc1C(=O)N1CCC[C@H](c2ccc(Nc3ccccn3)cn2)C1 | COc1ccc2[nH]c(CN3CCC(O)CC3)c(C)c2c1 | 0.516022 |
O=C(NC1CC1)[C@H]1C[C@@H](NC2CCOCC2)[C@H](c2cnc(-c3ccccc3)[nH]2)[C@@H]1O | C=CCc1cc(C=C2C(=O)NC(=S)NC2=O)cc(OCC)c1OCc1ccc(F)cc1 | 0.562434 |
O=C(CCCc1ccccc1)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 | O=C(c1ccc2c(c1)OCO2)N1CCn2cccc2[C@@H]1c1ccccc1 | 0.635796 |
NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)Sc1nnc(O)n1C[C@H]1CCCO1 | COc1ccc(C[C@@H]2CN(C(=O)c3cc(C)oc3C)CCO2)cc1 | 0.530864 |
COC(=O)c1ccc(N2CCC[C@H](c3nccs3)C2)nc1C | CCOc1ccc(S(=O)(=O)N(CC)c2cc(Cl)ccc2C)cc1 | 0.505411 |
Cn1ccc(NC(=O)NC[C@@H]2CCO[C@H]2c2ccc(F)cc2)n1 | CCc1nnc2ccc(N3C[C@H]4CN(C(=O)c5cccc(F)c5)C[C@H]4C3)nn12 | 0.540154 |
COCCn1c(CN2CCCC[C@@H]2C)cnc1S(=O)(=O)CC1CCCCC1 | O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F | 0.672802 |
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@H]1C(=O)Nc1ccc(CC)cc1 | COc1cc([C@@H]2CC(O)=Nc3c2c(=O)n(C)c(=O)n3C)ccc1OCC(C)C | 0.733267 |
CCc1nn2c(C)c(C(=O)Nc3ccc(OC)cc3)nnc2c1-c1ccccc1 | C[C@@H](C(=O)NS(C)(=O)=O)c1ccc2c(c1)S(=O)(=O)CC2 | 0.5154 |
CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)cc21 | Cc1nn(C)c(C)c1[C@H](C)NC(=O)N(Cc1ccccc1)C(C)C | 0.522246 |
CC1(C)Oc2ccc(NC(=O)[C@@H](OC3CCCC3)c3ccccc3)cc2O1 | Cc1noc(C)c1CN(C)c1nc2c(s1)c(C)nn2C | 0.551471 |
O=C(c1nn2c(c1Br)N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F)N1CCOCC1 | N=c1[nH]cc2c(c1C(=O)N1CC[C@H]3CC[C@]31c1cccs1)CCC2 | 0.835143 |
Cc1ccc(SCCNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)cc1C | CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1c(F)cccc1Cl | 0.736842 |
COc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccco2)cc1 | COC(=O)c1cc(Br)cn(Cc2cccc(C(F)(F)F)c2)c1=O | 0.579275 |
Cc1onc(-c2ccc(Cl)cc2)c1C(=O)Nc1nc(-c2cnn(C)c2C)cs1 | Cc1ncc(C(=O)NC[C@]2(CO)COC[C@@H](C)N2Cc2ccccc2)cc1C#N | 0.598746 |
CN(C)C(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)C2CCC2)C1 | CC[C@H](OC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@@H]3C2=O)c1)C(=O)c1ccccc1 | 0.530011 |
O=C(c1cscn1)N(CC1CCCCC1)c1ccccn1 | Cc1nc(N)ncc1C(=O)N1CCC[C@]2(C3=CCOCC3)COCC[C@@H]12 | 0.562297 |
Cc1nn(C)c(Cl)c1CN1CCN(C)[C@H](c2nc(C3CC3)no2)C1 | CSc1ncccc1C(=O)N1CCCc2cc(C)cc(F)c21 | 0.662176 |
O=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1-c1cccc(F)c1 | Cc1nc(-c2cccs2)sc1C(=O)NC[C@@]1(c2nccn2C)NC(=O)NC1=O | 0.748744 |
Cc1ccsc1[C@H]1CC(c2ccc3c(c2)OCO3)=NN1S(C)(=O)=O | COc1cccc(NC(=O)[C@H]2CC(=O)n3c(nc4ccccc43)N2)c1 | 0.703252 |
Cc1csc([C@@H]2CN(C(=O)[C@@H]3CCc4nncn4C3)CCO2)n1 | Cc1ccc(C)c(S(=O)(=O)[C@@H](C)C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 | 0.514917 |
COc1ccc(N/C=C2\C(=O)NC(=S)N(c3cccc(OC)c3)C2=O)cc1 | COc1ccc(-c2nnc(SCC(=O)NC3CC3)n2-c2ccc(C)cc2)cc1 | 0.574973 |
Cc1cn2c(/C=C/C(=O)c3cccc(O)c3)c(C)nc2s1 | CN1CCN([C@@H](c2cccs2)[C@H](O)C(=O)c2c[nH]c3ccccc23)CC1 | 0.584211 |
C[C@@H](NC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F)[C@H]1C[C@H]2CC[C@H]1C2 | CCS(=O)(=O)[C@H](CO)/C(=N/O)c1cccc([N+](=O)[O-])c1 | 0.50792 |
C[C@H]1Cc2cc(/C=C3/SC(Nc4ccc(Cl)cc4)=NC3=O)ccc2O1 | N#Cc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)c(F)c1 | 0.513304 |
COc1ccc(CN2C[C@@H]3C[C@H](C2)c2ccc(-c4ccccc4C)c(=O)n2C3)cc1 | O=C(N[C@@H](c1ccccc1)C(F)F)N1CCN(c2cccc3[nH]ccc23)CC1 | 0.566077 |
COc1ccc(C(=O)N(C)C2CN(c3ccc4nncn4n3)C2)cc1F | Cn1ncc(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2nccn2C)n1 | 0.613757 |
CC[C@@H](C(=O)NCC1(c2ccccc2)CCOCC1)N(c1cc(Cl)ccc1C)S(C)(=O)=O | Cn1ccnc1[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(Cl)cc1 | 0.603575 |
O=C1N[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 | COCCc1nc(CC2CCS(=O)(=O)CC2)n(-c2ccc(F)cc2)n1 | 0.554622 |
COc1ccccc1OCCNC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O | CC(=O)Nc1ccc(NC(=O)COc2cc3c(c4oc(=O)c5c(c24)CCC5)CCC(C)(C)O3)cc1 | 0.541841 |