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NCCc1c[nH]c2ccc(O)cc12,-4.8600001
CCCc1nn(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)[nH]c12,-4.5100002
CN1[C@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2,-4.6999998
Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,-4.75
O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O,-5.378171
NC(=O)N1C(=O)C(C(=O)c2cccs2)c2cc(Cl)ccc21,-4.5700002
COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC,-4.6100001
Cn1c(=O)c2[nH]cnc2n(C)c1=O,-4.3499999
C/N=C(\NC#N)NCCSCc1csc(N=C(N)N)n1,-5.880000099999998
NC(Cc1c[nH]c2ccccc12)C(=O)O,-5.3899999
NC(=O)C(N)Cc1c[nH]c2ccccc12,-4.920000099999998
C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C,-5.5500002
C=C1NC(N)=Nc2c1ncn2COCCOC(=O)[C@H](N)C(C)C,-5.3499999
COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC,-4.579999900000002
O=C(O)c1ccccc1,-4.0050001
CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1,-5.48
CCOC(=O)[C@H](Cc1ccc(OC(=O)N(C)C)cc1)NC(=O)[C@H]1N(S(=O)(=O)c2cnn(C)c2)CSC1(C)C,-5.369999900000002
CC(C)OC(=O)[C@H](Cc1ccc(OC(=O)N(C)C)cc1)NC(=O)[C@H]1N(S(=O)(=O)c2cnn(C)c2)CSC1(C)C,-5.170000099999998
CN(C)C(=O)Oc1ccc(C[C@H](NC(=O)[C@H]2N(S(=O)(=O)c3cnn(C)c3)CSC2(C)C)C(=O)OCC(C)(C)C)cc1,-5.3400002
CN(C)C(=O)Oc1ccc(C[C@H](NC(=O)[C@H]2N(S(=O)(=O)c3cnn(C)c3)CSC2(C)C)C(=O)OCOC(=O)C(C)(C)C)cc1,-5.5999999
COCCOCCOC(=O)[C@H](Cc1ccc(OC(=O)N(C)C)cc1)NC(=O)[C@H]1N(S(=O)(=O)c2cnn(C)c2)CSC1(C)C,-5.6900001
CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O,-6.0250001
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O,-5.0599999
CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)/C=C\c2ccccc2OC1=O,-5.880000099999998
CC(C)C[C@H]1NC(=O)[C@@H](CC2CCCCC2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)/C=C\c2ccccc2OC1=O,-6.4699998
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1,-4.1100001000000015
CC(C)(C)CC(=O)Nc1c(F)cc(C(=O)Nc2nccs2)cc1F,-4.059999899999998
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4cnnn4)[C@H]3SC2)s1,-6.23
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(=O)[nH]n3C)CS[C@H]12)c1csc(N)n1,-6.764999900000001
CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1,-6.3600001
CC(=O)NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(C)CSC12)c1ccccc1,-6.630000099999998
CC/C=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(COC(N)=O)CS[C@H]12)c1csc(N)n1.Cl.O,-5.1100001
C/N=C(\NC#N)NCCSCc1[nH]cnc1C,-5.9000001
CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,-4.5100002
CN(C(=O)[C@H](Cc1ccc(C(=N)N)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1,-6.6989698
NCc1cccc(Cc2ncccn2)c1,-4.5968795
NC(=O)c1cccc(Cc2ncccn2)c1,-4.4609237
N#Cc1cccc(Cc2ncccn2)c1,-4.1758742
CNS(=O)(=O)c1ccc(Cl)cc1,-4.186419
NS(=O)(=O)c1ccc(Cl)cc1,-4.2620125
N=C(N)NC(=O)c1nc(Cl)c(N)nc1N,-6.251812
CN/C(=N\CCSCc1nc[nH]c1C)NC#N,-6.0420098
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1,-7.4317985
COc1cccc(-n2c(=O)n(Cc3c(F)cccc3Br)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F,-4.856985099999998
COc1cccc(-n2c(=O)n(Cc3ccccc3C#N)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F,-4.5917602
CC(=O)c1sc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C,-5.221849
CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1,-4.9586072
Nc1nc(O)c2ncn([C@@H]3C[C@H](CO)[C@H]3CO)c2n1,-6.0555172
COCCc1ccc(OCC(O)CNC(C)C)cc1,-4.3493013
CC(C)CNC(=O)[C@H](C)NC[C@H](Cc1ccccc1)NC(=O)c1cc(CCC2C[C@@H]2C)cc(N(C)S(C)(=O)=O)c1,-4.6197886
CC(C)CNC(=O)[C@H](C)NC[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1,-5.0
CCOC(=O)c1c(Cl)cccc1-c1cnc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1,-4.5528421
C[C@@H](NC(=O)C1(NC(=O)C(F)(F)F)CC1)c1ccc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F,-4.6382723
Cc1nc(-c2c(Cl)cc(Cl)cc2-c2ccc([C@@H](C)NC(=O)C3(NC(=O)C(F)(F)F)CC3)c(F)c2)no1,-4.6382723
COC(=O)c1c(Cl)cc(Cl)cc1-c1cnc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1,-4.5376019
C[C@@H](NC(=O)C1(NC(=O)C(F)(F)F)CC1)c1ccc(-c2cc(Cl)ccc2-c2nnn(C)n2)cc1F,-4.5528421
CCOC(=O)c1c(Cl)cc(Cl)cc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1,-4.6020598
CCOC(=O)c1c(Cl)cc(Cl)cc1-c1cnc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1,-4.6020598
COC(=O)c1c(Cl)cccc1-c1cnc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1,-4.6020598
Cc1nc(-c2ccc(Cl)cc2-c2ccc([C@@H](C)NC(=O)C3(NC(=O)C(F)(F)F)CC3)c(F)c2)no1,-4.5086384000000015
COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1,-4.468521099999999
O=C(N[C@@H]1CCOC[C@@H]1C(=O)NO)c1ccc(Cc2c(C(F)(F)F)nn3ccccc23)cc1,-5.7447276
CC(C)(C)c1nn2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1,-5.3665314
CCCN(Cc1ccoc1)C(=O)c1cc(C)cc(OCC2(CON=C(N)N)CC2)c1,-5.387216099999999
Cc1ccc(C(F)(F)CNc2ccc(C#N)c(CC(=O)NCCONC(=N)N)c2F)nc1,-6.188375
N#Cc1ccc(NCC(F)(F)c2ccccc2)c(F)c1CC(=O)NCCONC(=N)N,-5.647924400000001
N#Cc1ccc(NCC(F)(F)c2cccc(F)c2)c(F)c1CC(=O)NCCONC(=N)N,-5.741402099999998
Cc1nc(N)ccc1CNC(=O)Cc1c(C#N)ccc(NCC(F)(F)c2ccccn2)c1F,-5.1474957
CN(OCCNC(=O)Cc1c(C#N)ccc(NCC(F)(F)c2ccccn2)c1F)C(=N)N,-6.3723636
N#Cc1ccc(NCC(F)(F)c2ccc(F)c(F)c2)c(F)c1CC(=O)NCCONC(=N)N,-5.9430285000000005
c1csc([C@]23CNC[C@H]2C3)c1,-4.7544875
Cc1nccc2c1[nH]c1ccccc12,-5.223299
[Cl-].c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,-4.9574246
C[C@@H]1O[C@@H](c2ccc(Cl)cc2)OC[C@H]1N,-4.9279342
C[C@@H]1O[C@@H](c2ccc(N(O)O)cc2)OC[C@H]1N,-4.8885694000000015
C=C(c1ccccc1)C1OCC(N)CO1,-4.9913998
C=C(c1ccccc1)[C@H]1OC[C@@H](N)[C@H](C)O1,-4.9880071
C[C@@H]1O[C@@H](c2ccc(Cl)cc2)OC[C@H]1NC(=O)Cc1ccccc1,-4.9920392
C=C(c1ccccc1)C1OCC(NC(=O)Cc2ccccc2)CO1,-5.0498786
C=C(c1ccccc1)[C@H]1OC[C@@H](NC(=O)Cc2ccccc2)[C@H](C)O1,-5.050365900000001
COc1cc2c(cc1OC)C1CC(O)C(CC(C)C)CN1CC2,-4.598685700000001
OC[C@H]1O[C@@](CO)(OC2O[C@H](COC3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,-7.309804
C[C@@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)CC(=O)[C@H]12,-4.5086384000000015
C[C@@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,-5.4436975
C[C@H](CS)C(=O)N1CCC[C@@H]1C(=O)O,-4.8153086
CN(C)CCC=C1c2ccccc2CCc2ccccc21,-3.9006648
COC(=O)[C@@H]1[C@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]21,-4.8124795
CC(NC(=O)C(N)CC(N)=O)C(N)=O,-6.5885487000000005
COc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)N(C)CC3,-4.628932
CC1(C)S[C@]2(C)[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O,-6.1023731
Nc1nc(/C(=C\CC(=O)O)C(=O)NC2C(=O)N3C(C(=O)O)=CCSC23)cs1,-6.0604806
Cc1cn([C@H]2C[C@H]([N-][NH+]=N)[C@@H](CO)O2)c(=O)[nH]c1=O,-5.1850867
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)O)O[C@@H]3OC4(C)CC[C@@H]1[C@@]23OO4,-5.4001169
CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@@H](N)C3=CCC=CC3)[C@H]2SC1,-5.6925039
Cc1c(F)c(N2CCNC(C)C2)cc2c1C(=O)C(C(=O)O)CN2C1CC1,-4.9825492
NC(N)=N/N=C/c1c(Cl)cccc1Cl,-4.363411900000001
CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1,-4.9299622
NC(N)=Nc1nc(CSCC/C(N)=N\S(N)(=O)=O)cs1,-5.9488473
Nc1nc(=O)c2ncn([C@@H]3C[C@H](CO)[C@H]3CO)c2[nH]1,-6.0555172
Nc1cc(-c2ccncc2)c[nH]c1=O,-4.7544875
CN[C@@H](C)[C@@H](O)c1ccccc1,-4.9913998
CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@H](O)C[C@H](O)CC(=O)O,-5.309804
C/C=C\C=C/CC/C=C/C=C/C(=O)NCC(C)C,-4.2441254
CCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C,-4.6989698
Cc1ccc(/C(=C/CN2CCCC2)c2cccc(/C=C/C(=O)O)n2)cc1,-5.720623000000002
Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C,-4.389419599999999
CN(C)CCC=C1c2ccccc2CCc2ccccc21,-4.2600002
C[C@H](N)Cc1ccccc1,-4.3899999
CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)O,-6.0700002
CC1CCC2C(C)C(OC(=O)CCC(=O)O)OC3OC4(C)CCC1C32OO4,-5.4000001
COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,-5.1500001
CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O,-5.3099999
CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1,-4.3156309
CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,-4.6599998
CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1,-4.7600002
O=C1CN=C(c2ccccn2)c2cc(Br)ccc2N1,-4.4000001
CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,-3.9519544
CN(C)C(=O)OC1N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=O,-4.46
C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O,-4.8200002
CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC12)c1ccco1,-6.29
Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,-4.8050604
O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,-5.5
CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12,-4.5500002
CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1,-4.2800002
CN(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21,-4.7399998
CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12,-6.3200002
O=c1[nH]c2cc(Cl)ccc2o1,-4.190000100000002
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,-5.4699998
CN1CCN(C2=c3ccccc3=Nc3ccc(Cl)cc3N2)CC1,-4.5100002
COc1ccc2c3c1OC1C(O)C=CC4C(C2)N(C)CCC341,-4.2800002
NC1CONC1=O,-5.4400001
C#C[C@@]1(O)CC[C@@H]2[C@H]3CCC4=Cc5oncc5C[C@@]4(C)[C@@H]3CC[C@]21C,-4.561461
COc1ccc2c(c1)C13CCCCC1C(C2)N(C)CC3,-4.7399998
O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl,-4.460681
C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H]6C[C@@H](O)[C@]7(C)C(C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O,-5.6316042
COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1,-4.4043612
O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1,-4.0500002
CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21,-5.6900001
C[C@H](N[C@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O,-5.880000099999998
C=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12,-4.329999900000002
CCc1cc(C(N)=S)ccn1,-4.4000001
CNCCC(Oc1ccc(C)cc1)c1ccccc1,-4.5500002
Fc1cccc2c1O[C@H]1CNC[C@H]1O2,-3.729485
OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,-4.8899999
CC(C)n1c(/C=C/[C@H](O)C[C@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,-5.6999998
Nc1nc2c(ncn2COC(CO)CO)c(=O)[nH]1,-6.1012278
Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1,-4.7199998
NC(CCC(=O)O)C(=O)O,-6.0700002
Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1,-4.8899999
NC(N)=NN=Cc1c(Cl)cccc1Cl,-4.329999900000002
O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,-4.71
Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,-5.3899999
CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,-5.6900001
Cc1cc(NC(O)=C2C(=O)c3ccccc3S(=O)(=O)N2C)no1,-4.6100001
O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1,-4.4400001
CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1,-4.895062
Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1,-5.420000099999998
NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O,-6.6599998
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21,-4.8000002
CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,-4.9699998
Nc1nc2c(ncn2C2[C@@H](CO)C[C@@H]2CO)c(=O)[nH]1,-6.0599999
CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,-6.0727587
CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21,-4.8400002
CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1,-4.3499999
COC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1,-4.5100002
Cc1cnc(N/C(O)=C2/C(=O)c3ccccc3S(=O)(=O)N2C)s1,-4.7058601
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12,-5.1161518
Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N[C@H]1C,-5.3049202000000015
Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C,-6.1500001
CC#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O,-5.1687455
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc(N(O)O)c1,-4.9305754
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1N(O)O,-4.3319983
COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1N(O)O,-4.6999998
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(N(O)O)c1,-4.6200309
CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21,-5.0100002
C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O,-6.9593034
O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1,-4.48
CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O,-4.1799998
CCC1(c2ccccc2)C(=O)NC(=O)NC1=O,-4.630000099999998
CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,-4.4490995
CCC(C)C(=O)O[C@@H]1C[C@@H](O)C=C2C=C[C@@H](C)[C@@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@@H]21,-5.869999900000002
COc1cc2nc(N3CCN(C(=O)c4occc4Cl)CC3)nc(N)c2cc1OC,-4.8899999
CC(C(=O)O)c1ccc2c(c1)Cc1cccnc1O2,-4.3899999
C[C@]12CC(O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO,-5.369999900000002
CN(C)CCCN1c2ccccc2Sc2ccccc21,-4.380000099999998
CC(CN1c2ccccc2Sc2ccccc21)N(C)C,-3.7777722
CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1,-4.23
C=C[C@H]1CN2CC[C@H]1C[C@@H]2C(O)c1ccnc2ccc(OC)cc12,-4.6799998
O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,-5.7227535000000005
CC(C)(C)S(=O)(=O)C[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CC1CCCCC1)[C@@H](O)[C@H](O)C1CC1,-6.1300907
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC,-5.369999900000002
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NS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1,-4.619999900000002
CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2ccccc2n1,-6.2800002
CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@@H](C)[C@@H](CC[C@@H]3C[C@H](O)CC(=O)O3)[C@@H]21,-5.170000099999998
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C[C@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1,-4.7784066
C=C[C@@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12,-4.5008955
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C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC,-5.1500001
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NC(=O)n1c(O)c(C(=O)c2cccs2)c2cc(Cl)ccc21,-4.3103647
O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1,-4.6999998
CCS(=O)(=O)CCn1c(N(O)O)cnc1C,-4.52
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CCCC(CCC)C(=O)O,-4.3200002
CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H](C(=O)O)C(C)C,-6.2600002
COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21,-4.8099999
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Cc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(Cl)cc1,-4.6100001
O=c1cc(-c2ccccc2)oc2ccccc12,-3.9201083
NCC(=O)N1CCC[C@H]1C(=O)O,-5.2123351
c1ccc(C2(N3CCCCC3)CCCCC2)cc1,-4.48
CCCCN1C(=O)N(Cc2ccc3[nH]nc(N)c3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1,-5.6788902000000006
CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(C)=O,-5.7484403
CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(C)=O)C(C)C,-5.3900242
CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O,-5.0499268
CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC1CCCCC1)NC(C)=O,-5.141333599999999
CC(=O)N[C@H](C)C(=O)NCCc1ccccc1,-4.6095328
CC(=O)N[C@H](CC(C)C)C(=O)NCCc1ccccc1,-4.513246499999998
CC(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccccc1,-4.4210458
CC(=O)N[C@H](CC1CCCCC1)C(=O)NCCc1ccccc1,-4.351765599999999
CC1CCN(C(=O)CC(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,-6.8762317
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COC(=O)C1CCCCN1C(=O)CC(Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1ccc2ccccc2c1,-7.1178856
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COC(=O)C1CCN(C(=O)CC(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,-7.0912943
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CNC(=N)c1cccc(CC(CC(=O)N2CCC(C(=O)O)CC2)NS(=O)(=O)c2ccc3ccccc3c2)c1,-7.1487603
CC1CCN(C(=O)CC(Cc2cccc(N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,-4.997839
CNC(=N)c1cccc(CC(CC(=O)N2CCC(C)CC2)NS(=O)(=O)c2ccc3ccccc3c2)c1,-6.850390400000001
C=CCc1ccccc1OCC(CNC(C)C)OC(=O)C1CC1,-4.1507826
CC(C)NCC(COc1ccc(CCOCC2CC2)cc1)OC(=O)C1CC1,-4.1300812
C=CCOc1ccccc1OCC(CNC(C)C)OC(=O)C1CC1,-4.1920457
O=C(O)C1=C/C(=N\Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)C=CC1=O,-6.5171175
CCOc1cccc(NC(=O)OCCN2CCCC2)c1,-4.5500002
CCCOc1cccc(NC(=O)OCCN2CCCC2)c1,-4.5700002
CCCCOc1cccc(NC(=O)OCCN2CCCC2)c1,-4.5900002
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N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)o2)cc1,-6.4201083
COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@@](C)(O)C2,-4.5693183
CNCC(O)c1ccc(O)c(O)c1,-6.0188646
CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1,-4.8099742
CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(=O)[nH]n3C)CS[C@H]12)c1csc(N)n1,-6.604713
CC1(C)S[C@H]2[C@@H](NC(=O)Cc3ccccc3)C(=O)N2[C@@H]1C(=O)O,-5.8697934
O=c1[nH]c(=O)n([C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1/C=C/Br,-5.3989701
NC(=O)CC[C@H](N)C(=O)O,-6.0702906
CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc23)CC1,-5.3211966
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,-6.3982739
OC[C@@H]1O[C@@](O)(CO)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,-6.5364394
N=C(N)c1ccc2nc(-c3ccccn3)[nH]c2c1,-6.4579659000000005
C[C@H](N)C(=O)O,-5.4201083
C/N=C(\NC#N)NCCSCc1csc(N=C(N)N)n1,-5.6587887000000014
CN(CC(=O)O)C(=O)CN,-4.9000001
Cc1ccc2cc(C(=O)NC3(C(=O)N[C@H](Cc4ccccc4)C(=O)NCC4CCN(CC5CCOCC5)CC4)CCCC3)sc2c1,-5.291214900000001
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N(O)O)cccc3nc2-1,-5.198543099999998
CC(C)NCC(O)COc1ccc(NC=O)cc1,-5.4279842
CCC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1,-5.2198415
Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12,-4.879711599999999
C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O,-6.2209244
C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C1=O,-6.3005152
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CC(=O)N[C@@H](Cc1ccccc1)C(N)=O,-5.10009
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O,-5.6994848
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O,-5.3484769
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O,-4.922927400000002
CC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O,-4.6937804000000005
CNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)N(C)C(C)=O,-4.494889700000001
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CC(=O)NCC1CN(c2cc(F)c(-c3ccncc3)c(F)c2)C(=O)O1,-4.29
CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1,-4.6788902000000006
CC(=S)NC[C@H]1CN(c2ccc(N3CCCS(=O)CC3)c(F)c2)C(=O)O1,-5.338621099999999
CCC(=S)NC[C@H]1CN(c2ccc(N3CCN(C=O)CC3)c(F)c2)C(=O)O1,-4.4579659000000005
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CCC(=S)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CO)CC3)c(F)c2)C(=O)O1,-4.7423639
CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C#N)nc3)c(F)c2)C(=O)O1,-4.3783755
CC(=S)NC[C@H]1CN(c2ccc(N3CCCS(=O)(=O)CC3)c(F)c2)C(=O)O1,-4.6391363
CC(=O)NC[C@H]1CN(c2ccc(-c3nnc(CC/C(C)=N\O)s3)c(F)c2)C(=O)O1,-5.250906
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COc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)N4CCOCC4)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC,-5.0814137000000015
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CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(C)C)C(=O)C(F)(F)C(F)(F)F,-5.098455
CC(C)NS(=O)(=O)n1c(N)nc2ccc(C(C(N)=O)c3cc(F)ccc3F)cc21,-4.5388007
CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)N1CCOCC1)C(C)C)C(=O)C(F)(F)C(F)(F)F,-4.517849900000001
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CC(C)C(N)C(=O)NC(Cc1ccccc1)C(=O)OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)C[C@H]1O,-6.080461
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Cc1ccncc1,-3.9612868
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CN1C(=O)CN(CCC(=O)O)C(=O)c2cc(NCc3ccc(C(=N)N)cc3)ccc21,-6.4579659000000005
CCOC(=O)CCN1CC(=O)N(C)c2ccc(OCc3ccc(C(=N)N)cc3)cc2C1=O,-6.3682656
CCOC(=O)CCN1CC(=O)N(C)c2ccc(NCc3ccc(C(=N)N)cc3)cc2C1=O,-6.8519359
CC(OC(=O)NCC1(CC(=O)O)CCCCC1)OC(=O)C(C)C,-4.5093193
CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)-c2cc3ccccc3nc2C1,-4.3318486
CN(C)C(=O)NS(=O)(=O)n1c(N)nc2ccc(C(C(N)=O)c3cccc(F)c3)cc21,-4.1700001
CC(C)n1c(N)nc2ccc(C(C(N)=O)c3cccc(F)c3F)cc21,-5.187450900000001
COc1ccc2c(c1OC)C[N+]1(Cc3ccc(Cl)cc3)CCc3cc4c(cc3C1C2)OCO4.[Cl-],-6.2314224000000005
Cc1nccc2c1[nH]c1cc(O)ccc12,-5.302258999999999
COC(=O)C(C)NP(=O)(OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccc(C)cc1,-5.8474512
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COc1cc(C)ccc1S(=O)(=O)NC(=O)C(c1ccc2c(c1)OCO2)c1cn(C)c2cc(C(C)=O)ccc12,-5.8519359
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Cc1ccc(S(=O)(=O)NC(=O)C(c2ccc3c(c2)OCO3)c2cn(C)c3cc(CO)ccc23)cc1,-5.769775900000001
COCCn1cc(C(C(=O)NS(=O)(=O)c2ccc(C)cc2OC)c2ccc3c(c2)OCO3)c2ccc(COC)cc21,-5.7979398
COCCn1cc(C(C(=O)NS(=O)(=O)c2ccc(C)cc2OC)c2ccc3c(c2)OCO3)c2ccc(F)cc21,-5.720623000000002
Cn1c(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)CCCC2)cc2ccccc21,-4.9723473
O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCC(O)CC2)CCCC1)c1cc2ccccc2s1,-5.8519359
O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCC(=O)N2CCC(N3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1,-5.769775900000001
O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N2CCN(C3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1,-5.8880281
O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccc(C(F)(F)F)cc2s1,-5.1919103
COc1ccc2cc(C(=O)NC3(C(=O)N[C@H](Cc4ccccc4)C(=O)NCC4CCN(CC5CCOCC5)CC4)CCCC3)sc2c1,-5.9593034000000005
CCO[C@H](CCC(C)(C)O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@@]4(C)C3CC[C@]12C,-4.8600001
C=CCO[C@H](CCC(C)(C)O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@@]4(C)C3CC[C@]12C,-4.6900001
COC(C)(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@@]4(C)C3CC[C@]12C,-4.7600002
CO[C@H](CCC(C)C)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@@]4(C)C3CC[C@]12C,-4.579999900000002
CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@@]4(C)C3CC[C@]12C,-4.79
CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)[C@@H](O)C[C@@]4(C)C3[C@@H](O)C[C@]12C,-4.9000001
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC/C=C/c1ccc(OC)c(OC)c1,-4.8498521
CCCCCCCC/C=C\CCCCCCCC(=O)OCC/C=C/c1ccc(OC)c(OC)c1,-5.0101638
COc1ccc(/C=C/CCO)cc1OC,-4.8428431
O=c1c2ccccc2nc2n1CCc1c-2[nH]c2ccccc12,-5.0582528
CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)C21,-4.632256
Cc1csc(NC(=O)C(C(=O)OC(C)C)=C2SCS2)n1,-4.5100002
C[N+](C)(C)CCO,-4.9521427000000005
C/C=C/C/C=C/CCC(=O)[C@@H]1O[C@@H]1C(N)=O,-5.4224062
C=C1C[C@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)C2CC(O[C@H]2O[C@@H](CO)[C@H](O)C(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)[C@@H]2O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]1C3,-6.9593034
C[C@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CO)C(=O)O,-6.2819986
COC(=O)c1cc(OC)c2c(c1-c1c(C(=O)OC)cc(OC)c3c1OCO3)OCO2,-4.1687455
COC(=O)Nc1nc2ccccc2[nH]1,-4.1011863
CCCCCN(CCCOC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1,-5.140130999999999
COC(=O)[C@H](N)CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21,-5.8313413
CC[C@@H]1C2CCCCN3CCC(C23)[C@@H]2[C@H](C)C(=O)O[C@H]12,-4.9198675000000005
CC(C)=CC(=O)O[C@@H]1Cc2cc3ccc(=O)oc3cc2OC1(C)C,-4.9204097
ON(O)NC1=NCCN1Cc1ccc(Cl)nc1,-4.6677732
COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2C)cc1OC,-4.5497985
COc1ccc2cc1Oc1ccc(cc1)CC1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)C5C2)OCO4)CCN1C,-4.1877432
COC(=O)[C@H]1[C@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]21,-4.729893700000001
CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C)C(=O)NCC(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(C)C(N)=O,-7.4981046
CC(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(N)=O,-6.5900002
CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(N)=O,-7.0100002
CC1NC(=O)C(CC(=O)O)NC(=O)CNC(=O)CNC(=O)C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC1=O,-7.0307584
O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46,-4.5086198
COc1cc2c(cc1OC)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@@H]5C[C@@H]43,-4.7786422
COc1cc2c(cc1OC)[C@]13CC[N+]4([O-])CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@@H]5C[C@H]34,-5.46
O=C1C[C@H]2OCC=C3CN4C[C@H](O)C56c7ccccc7N1[C@@H]5[C@H]2[C@H]3CC46,-4.6001629999999984
C=CC1=C(C)/C(=C\c2[nH]c(Cc3[nH]c(/C=C4/NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O,-6.1314831
C=CC1=C(C)/C(=C\c2[nH]c(Cc3[nH]c(/C=C4/NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)NCCS(=O)(=O)O)c(CCC(=O)NCCS(=O)(=O)O)c2C)NC1=O,-6.0594678
C=CC1=C(C)/C(=C\C2=N/C(=C\c3[nH]c(/C=C4/NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC1=O,-5.6290045
COc1cnn(C)c(=O)c1-c1ccc(C[C@@H](CO)NC(=O)c2c(Cl)cccc2Cl)cc1,-5.6010299
COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1,-4.8880281
COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C,-5.0778604000000005
COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1Cl,-5.238286
COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-n3ccc(C(C)C)n3)nc2c1C,-4.8219547
COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3cccc(C(C)C)n3)nc2c1C,-4.9204097
COc1ccc(-c2cc(=O)c3c(O)cc(OC4O[C@H](CO[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O,-6.1599998
O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,-6.2003298
COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O,-6.9204097
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,-4.9899998
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1O,-5.0013065
C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O,-6.0999999
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COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2O[C@H](CO[C@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,-6.5388007
O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,-5.2800002
O=c1c(-c2ccc(O)cc2)coc2c(C3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)ccc12,-6.3989701
O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O,-4.8378239
Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,-6.4311924000000005
Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](N)C(C)C)c1,-5.3000002
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CNCC(=O)N[C@H](c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)CC1)C(C)C,-5.6999998
CC(C)[C@H](NC(=O)CCN(C)C)c1cccc(F)c1N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2)CC1,-5.0
Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CCN)C(C)C)c1,-5.521439099999999
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Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3F)CC2)c([C@@H](NC(=O)CCN(C)C)C(C)C)c1,-4.4308991
COc1cc(Cl)ccc1C[C@@H](C)C(=O)N1CCN(c2ccc(Cl)cc2[C@@H](NC(=O)C(C)N)C(C)C)CC1,-5.521439099999999
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Oc1ccc(-c2cnc(-c3cccc(O)c3)o2)cc1,-5.1011863
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CCc1ccc(NC(=O)c2ccnn2CCc2ccncc2)cc1,-5.0116143
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CC(C)(C)c1ccc(NC(=O)c2ccnn2CCc2ccncc2)cc1,-5.1295056
CC(C)c1ccc(NC(=O)c2ccnn2CCc2ccncc2)cc1,-5.0886235
Cc1cc(COc2ccc(C(=O)N[C@@H]3CC4(C[C@@H]3C(=O)NO)OCCO4)cc2)c2ccccc2n1,-5.7423639
Cc1cc(COc2ccc(C(=O)N[C@@H]3C[C@@]4(CCCO4)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1,-5.6319547
O=C(Nc1cccc(C(F)(F)F)c1)c1nscc1NCc1ccncc1,-5.158072
O=C(Nc1cccc(OC(F)(F)F)c1)c1nscc1NCc1ccncc1,-5.1003633000000015
CC(C)(C)c1cccc(NC(=O)c2nscc2NCc2ccncc2)c1,-5.2516832
O=C(Nc1cccc(Br)c1)c1nscc1NCc1ccncc1,-5.2606096
Cc1ccc(NC(=O)c2nscc2NCc2ccncc2)cc1C(F)(F)F,-5.2295737
O=C(Nc1cccc(C(F)(F)F)c1)c1nscc1NCc1ccnc2ccccc12,-5.5700002
Cn1c(NCCCN2CCC(CN3c4ccccc4Sc4ccc(C(=O)O)cc43)CC2)cc(=O)n(C)c1=O,-5.8989701
CN(CCCN1CCC(CN2c3ccccc3Sc3ccc(C(=O)O)cc32)CC1)c1cc(=O)n(C)c(=O)n1C,-5.7209244
Cn1c(N2CCCN(CCCN3c4ccccc4Sc4ccc(C(=O)O)cc43)CC2)cc(=O)n(C)c1=O,-4.8289509000000015
Cn1c(N2CCCN(CCCN3c4ccccc4Sc4c(C(=O)O)cccc43)CC2)cc(=O)n(C)c1=O,-5.8005152
Cn1c(N2CCN(CCN3c4ccccc4Sc4ccc(C(=O)O)cc43)CC2)cc(=O)n(C)c1=O,-5.3099999
Cn1c(N2CCN(CCCCN3c4ccccc4Sc4ccc(C(=O)O)cc43)CC2)cc(=O)n(C)c1=O,-4.6900001
Cn1c(N2CCCN(CCCN3c4ccccc4Sc4ccc(CC(=O)O)cc43)CC2)cc(=O)n(C)c1=O,-5.2600002
Cn1c(N2CCCN(CCCN3c4ccccc4Sc4ccc(CCC(=O)O)cc43)CC2)cc(=O)n(C)c1=O,-5.1100001
Cn1c(N2CCCN(CCCN3c4ccccc4Sc4ccc(C(C)(C)C(=O)O)cc43)CC2)cc(=O)n(C)c1=O,-5.0
Cn1c(N2CCCN(CCCN3c4ccccc4Sc4ccc(OCC(=O)O)cc43)CC2)cc(=O)n(C)c1=O,-5.8005152
Cn1c(N2CCCN(CCCN3c4ccccc4Sc4ccc(/C=C/C(=O)O)cc43)CC2)cc(=O)n(C)c1=O,-4.6493707
Cn1c(C2=CCN(CCCN3c4ccccc4Sc4ccc(CC(=O)O)cc43)CC2)cc(=O)n(C)c1=O,-4.8289509000000015
CC(C)[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(C(C)(C)C)c1)N(C)C(=O)[C@@H](N)Cc1ccccc1,-4.9186072
CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@]5(C[C@]6(CC)C=CCN7CC[C@]43[C@@H]76)OC(=O)N(CCCl)C5=O)C2)C1,-4.8616409
C[C@H]1C[C@@]2(C)C(=CC(=O)[C@@H]3[C@]4(C)CC[C@@H](O)[C@@](C)(C(=O)O)[C@H]4CC[C@]32C)[C@@H]2[C@@H](C)[C@H](C)CC[C@H]12,-5.8000002
c1ccc2c(NCCCCCCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3,-5.441246499999999
Cc1c(O)c2c(c(C)c1CCO)C(=O)C(C)(C)C2,-4.7597256
Cc1c(O)c2c(c(C)c1CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)C(C)(C)C2,-6.0107207
O=c1c(OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12,-7.0478787
CC(NC(=O)[C@@H](N)CCC(=O)OCc1ccccc1)C(=O)O,-5.6912522
CC(NC(=O)[C@@H](N)COCc1ccccc1)C(=O)O,-5.9906998
C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,-5.7141905
O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3ccccc3)c3nc4ccccc4[nH]3)cc2F)S(=O)([O-])=N1,-6.521439099999999
C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C1=O,-6.570000200000001
CN(C)CC1CCCCC1(O)c1cccc(O)c1,-4.7799463
Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2,-6.8284068
O=C(O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12,-4.77
CCO/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/OCC)cc3)o2)cc1,-5.2295737
CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cccn21,-4.9593034000000005
CC1=C[C@@H]2O[C@@H]3[C@@H](O)C[C@](C)([C@]34CO4)[C@]2(CO)[C@@H](O)C1=O,-5.3005152
NCCCCN,-4.5179658
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O,-7.380000099999998
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O,-7.02
CN[C@@H](CCSC)C(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1,-7.309999900000001
CC(=O)NCC1CN(c2ccc(C(C)=O)cc2)C(=O)O1,-4.5900002
CC(=O)c1ccc(N2CC(CO)OC2=O)cc1,-4.1799998
CC(=O)c1ccc(N2CC(CN)OC2=O)cc1,-4.8499999
CCCOCOCC1CN(c2ccc(C(C)=O)cc2)C(=O)O1,-3.95
CC(=O)NC(O)CNc1ccc(C(C)=O)cc1,-5.2199998
CC(=O)NCC1CN(c2ccc(C(C)=O)cc2)S(=O)N1C,-5.119999900000002
CC(=O)NCC1CN(c2ccc(C(C)O)cc2)C(=O)N1,-5.6999998
CC(=O)NCC1CN(S(=O)(=O)c2ccc(C)cc2)C(=O)O1,-4.7199998
CC(=O)c1ccc2c(c1)N1C(=O)OCC1CC2,-4.0100002
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(N)=O,-7.309999900000001
O=c1nc(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,-6.0999999
CC(C)[C@H](N)C(=O)OC[C@H]1O[C@@H](n2ccc(O)nc2=O)[C@@H](O)[C@@H]1O,-5.23
CCCCC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)O)c(F)c1,-5.1999998
CC(C)S(=O)(=O)n1c(N)nc2ccc(/C(=C/C(N)=O)c3c(F)c(F)c(F)c(F)c3F)cc21,-4.1999998
CC(C)S(=O)(=O)n1c(N)nc2ccc(/C(=C/C(N)=O)c3cc(F)c(F)c(F)c3)cc21,-4.329999900000002
CNC(=O)/C=C(\c1cccc(F)c1)c1ccc2nc(N)n(S(=O)(=O)NC(=O)N3CCOCC3)c2c1,-4.3899999
CNC(=O)/C=C(\c1cccc(F)c1)c1ccc2nc(N)n(S(=O)(=O)NC(=O)N3CCCC3)c2c1,-4.099999899999999
NC(=O)/C=C(\c1cccc(F)c1)c1ccc2nc(N)n(S(=O)(=O)NC(=O)N3CCOCC3)c2c1,-4.7399998
CNC(=O)/C=C(/c1ccc2nc(N)n(C3CCCC3)c2c1)c1ccccc1F,-5.1500001
C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)cc3)CC4=O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,-6.820000200000001
Clc1ccc2c(c1)NC(N1CCNCC1)=c1ccccc1=N2,-4.6799998
CCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1,-5.46
CCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nncs2)cc1,-5.3200002
CCC[C@H](NC(=O)C1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1,-5.3200002
COc1ccc2c(O[C@@H]3CC4C(=O)N[C@]5(C(=O)O)C[C@@H]5/C=C\CCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)cc(-c3csc(NC(C)C)n3)nc2c1,-5.6599998
N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)c1,-7.0
Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)n(-c2cccc(CN)c2)n1,-6.0
Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2)n(-c2cccc(CN)c2)n1,-5.9000001
NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)c1,-6.0
CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(CN)c2)cc1,-5.5
CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(CN)c2)c(F)c1,-5.3000002
COC(=O)/C=C/CNC(=O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21,-5.420000099999998
Oc1cccc2ccccc12,-4.4899998
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCCCCc1ccccc1,-5.1500001
O=C(O)CC(CC1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1)c1cnc2ccccc2c1,-5.8899999
O=C(O)CC(CC1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1)C1CNc2ccccc2C1,-5.5999999
O=C(O)CC(C1CCN(C(=O)CCCc2ccc3c(n2)NCCC3)CC1)C1CNc2ccccc2C1,-5.2199998
O=C(O)C[C@@H](c1cnc2ccccc2c1)N1CC[C@@H](CCCc2ccc3c(n2)NCCC3)C1=O,-5.6900001
CC(C)C(N)C(=O)OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)C[C@H]1O,-5.29
CC(C)[C@H](N)C(=O)OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)C[C@H]1O,-6.0100002
COC(=O)c1ccc(O)cc1,-4.46
CCCOC(=O)c1ccc(O)cc1,-4.3899999
CCCCOC(=O)c1ccc(O)cc1,-4.4899998
CCCCCCCCOC(=O)c1ccc(O)cc1,-4.880000099999998
CCc1oc(O)c(Cc2c(O)c(CC=C(C)C)c(O)c(C(C)=O)c2O)c(=O)c1C,-4.71
NC(=O)c1c(F)ccc(OCc2nc3cc(Cl)cnc3s2)c1F,-4.3099999
CC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O,-5.0900002
CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O,-5.380000099999998
COc1ccc(CN(CCN(C)C)c2ccccn2)cc1,-4.6599998
FC(F)(F)c1ccc(N2CCNCC2)nc1Cl,-4.5999999
CN1C[C@@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2C1,-4.73
CC1(C)CC(=O)N(CCCCN2CCN(c3ncccn3)CC2)C(=O)C1,-4.6999998
CC1(C)CC(=O)N(CCCCN2CCN(c3ncccn3)CC2)C(=O)C1O,-4.8899999
O=C1CCCN1CCCCN1CCN(c2cc(C(F)(F)F)ccn2)CC1,-4.7399998
Clc1ccc(C2CN3CCN=C3c3ccccc32)cc1,-4.7199998
O=C(CCCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)N1CCCC1,-5.0599999
C=CCC(N)c1ccccc1-c1noc2ccccc12,-4.869999900000002
CC(C)[C@H](NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(=O)NCCF,-5.8000002
CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)C,-5.8499999
CC(C)[C@H](NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(=O)NCC(F)(F)F,-5.54
COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC3OC5COC(c6cccs6)OC5C(O)C3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O,-6.0500002
O=C1NCC2(CCCNC2)c2[nH]c(-c3ccnc(-c4cc5ccccc5o4)n3)cc21,-5.8200002
COCCCOc1ccc(-c2nccc(-c3cc4c([nH]3)C3(CCCNC3)CNC4=O)n2)cn1,-5.380000099999998
c1ccc(Cn2nnnc2C(c2ccc(Cn3cncn3)cc2)N2CCCN(C3CCC3)CC2)cc1,-6.3000002
CN1C(=O)CC(N2CCN(CCCN3c4ccccc4Sc4ccc(CC(=O)O)cc43)CC2)N(C)C1=O,-4.9099998
CN1C(=O)CC(N2CCN(CCCN3c4ccccc4COc4ccc(C(=O)O)cc43)CC2)N(C)C1=O,-5.119999900000002
CN1C(=O)CC(N2CCCN(CCCN3c4ccccc4COc4ccc(CC(=O)O)cc43)CC2)N(C)C1=O,-5.8000002
CC(C(=O)O)c1ccc2c(c1)N(CCCN1CCCN(C3CC(=O)N(C)C(=O)N3C)CC1)c1ccccc1CO2,-5.7199998
CN1C(=O)CC(N2CCCN(CCCN3c4ccccc4COc4ccc(C(=O)O)cc43)CC2)N(C)C1=O,-5.5
CN1C(=O)CC(N2CCCN(CCCN3c4ccccc4CCc4ccc(CC(=O)O)cc43)CC2)N(C)C1=O,-5.5900002
CN1C(=O)CC(N2CCCN(CCCN3c4ccccc4CCc4ccc(C(C)(C)C(=O)O)cc43)CC2)N(C)C1=O,-5.2450004
CN1C(=O)CC(N2CCN(CC/C=C3/c4ccccc4COc4ccc(CC(=O)O)cc43)CC2)N(C)C1=O,-5.1399999
CN1C(=O)CC(N2CCCN(CC/C=C3/c4ccccc4COc4ccc(CC(=O)O)cc43)CC2)N(C)C1=O,-5.4000001
CN1C(=O)CC(N2CCN(CC/C=C3/c4ccccc4COc4ccc(C(=O)O)cc43)CC2)N(C)C1=O,-5.0700002
CN1C(=O)CC(N2CCCN(CC/C=C3/c4ccccc4COc4ccc(C(=O)O)cc43)CC2)N(C)C1=O,-5.420000099999998
CN1C(=O)CC(N2CCN(CC/C=C3/c4ccccc4CCc4ccc(CC(=O)O)cc43)CC2)N(C)C1=O,-4.829999900000002
CN1C(=O)CC(N2CCCN(CC/C=C3/c4ccccc4CCc4ccc(C(=O)O)cc43)CC2)N(C)C1=O,-5.1599998
COCN1C(=O)N(COC)C(=O)C(c2ccccc2)(c2ccccc2)C1=O,-4.4499998
O=C1NC(=O)C(c2ccccc2)(c2ccccc2)C(=O)N1,-4.46
CC1(C)C2[C@@H](O)C[C@@H]3C4(CC[C@]5(C)[C@@H]([C@]6(C)CC[C@H](C(C)(C)O)O6)[C@@H](O)C[C@@]35C)CC24CC[C@@H]1O,-4.5
COc1c2ccoc2c(OCC2OC2(C)C)c2oc(=O)ccc12,-4.3000002
CCCCCCCCCC(=O)OC,-3.51
CCCCCCCCCC(=O)NN,-4.1199999
CCCCCCCCCC(=O)N1CCNCC1,-3.8199999
CC1CCC(=O)CCC/C=C/c2cc(O)cc(O)c2C(=O)OC1,-4.98
CC1CCC(O)CCC/C=C/c2cc(O)cc(O)c2C(=O)OC1,-5.27
CC1CCC(O)CCCCCc2cc(O)cc(O)c2C(=O)OC1,-4.8200002
CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1,-5.3899999
O=C1c2ccccc2-n2c1nc1ccccc1c2=O,-4.1999998
COC(=O)C[C@@H](C(=O)NN(Cc1ccc(Br)cc1)C[C@@](O)(Cc1ccccc1)C(=O)NC1CCOC1)C(C)(C)C,-4.9699998
COCCNC(=O)[C@H](NC(=O)[C@](O)(Cc1ccccc1)CN(Cc1ccc(Br)cc1)NC(=O)[C@H](CC(=O)OC)C(C)(C)C)C(C)C,-5.3200002
CNC(=O)[C@H](NC(=O)[C@](O)(Cc1ccccc1)CN(Cc1ccc(Br)cc1)NC(=O)[C@H](CC(=O)OC)C(C)(C)C)C(C)(C)C,-5.5999999
CNC(=O)[C@H](NC(=O)[C@](O)(Cc1ccccc1)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@H](CC(=O)OC)C(C)(C)C)C(C)(C)C,-5.4699998
CN1CCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](Oc3nc(-c4ccccc4)nc4ccccc34)C[C@H]2C1=O,-4.6799998
COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)nc(-c3ccccc3)nc2c1,-4.8899999
COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)nc(-c3nc(C(C)C)cs3)nc2c1,-5.2199998
COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)nc(-c3ccc(F)cc3)nc2c1,-4.6999998
COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)nc(-c3ccccc3)nc2c1C,-4.8899999
COc1ccc(-c2nc(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)c3ccc(OC)c(C)c3n2)cc1,-5.0500002
COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCCN(C)C(=O)[C@@H]4C3)nc(-c3ccccc3)nc2c1C,-4.5900002
COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)nc(-c3ccc(F)cc3)nc2c1C,-4.4899998
COc1ccc2c(O[C@H]3C[C@H]4C(=O)NCCCCC/C=C\[C@@H]5C[C@@]5(C(=O)NS(=O)(=O)C5CC5)NC(=O)[C@@H]4C3)nc(-c3ccc(F)cc3)nc2c1C,-4.4899998
Nc1c(CC(=O)O)cccc1C(=O)c1ccccc1,-4.52
C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,-4.5500002
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Cc1ccc(N2CCN(C(=O)[C@H](C)Cc3ccc(Cl)cc3C)CC2)c([C@@H](NC(=O)CCN(C)C)C(C)C)c1,-4.7979398
O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NCc1ccncc1,-5.158072
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21,-5.489058
O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)c1ccnn1CCc1ccncc1,-5.3400002
Cn1c(NCCCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)cc(=O)n(C)c1=O,-4.8783755
Cn1c(N2CCN(CCCN3c4ccccc4Sc4ccc(C(=O)O)cc43)CC2)cc(=O)n(C)c1=O,-5.0
Cn1c(N2CCCN(CCCN3c4ccccc4Sc4cccc(C(=O)O)c43)CC2)cc(=O)n(C)c1=O,-5.8005152
Cn1c(N2CCN(CCCN3c4ccccc4Sc4ccc(CC(=O)O)cc43)CC2)cc(=O)n(C)c1=O,-4.9099998
Cn1c(N2CCN(CCCN3c4ccccc4Sc4ccc(CCC(=O)O)cc43)CC2)cc(=O)n(C)c1=O,-5.29
CC(C(=O)O)c1ccc2c(c1)N(CCCN1CCCN(c3cc(=O)n(C)c(=O)n3C)CC1)c1ccccc1S2,-5.1599998
CSc1nc2cc(C(=O)N3CCC(C)CC3)ccc2[nH]1,-4.5418172
Cc1c(O)c(=O)ccn1C,-4.8885303
Cc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1[C@@H]1CC(=O)N=S1(=O)[O-],-6.3989701
C=CC(N)=O,-4.5693183
COc1cc2c(cc1OC)[C@H]1C[C@H](O)[C@@H](CC(C)C)CN1CC2,-4.6799998
CCOC(=O)c1ccc(O)cc1,-4.8102908
N[C@@H](Cc1ccccc1)C(=O)OC[C@H]1O[C@@H](n2ccc(O)nc2=O)[C@@H](O)[C@@H]1O,-5.6999998
C[C@@H]1O[C@@H](O[C@@H]2C(=O)c3c(O)cc(O)cc3O[C@H]2c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,-6.820000200000001
COC(=O)c1cc(O)c(O)c(O)c1,-5.3899999
CNC1(c2ccccc2Cl)CCCCC1=O,-4.2600002
COCCOCCOCC(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1,-6.2399998
C=CCNC(=O)C(=O)C(CCC)NC(=O)C1CC2CN1C(=O)C(C1CCCCC1)NC(=O)Cc1cccc(c1)OCCC(C)(C)O2,-5.0300002
C=CCNC(=O)C(=O)C(CCC)NC(=O)C1C2C(CN1C(=O)C(NC(=O)NC(C(=O)C(C)C)C(C)C)C(C)(C)C)C2(C)C,-5.29
Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2F)n(-c2cccc(CN)c2)n1,-5.5
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C,-4.1799998
CC[C@H](C)[C@H](N)C(=O)O[C@@H]1C[C@@H](n2cc(F)c(=O)[nH]c2=O)O[C@H]1CO,-5.5599999
NC(CC(=O)O)C(=O)OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)C[C@H]1O,-6.4899998
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(N)=O,-7.29
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1,-6.0999999
ON1C=CC=C(c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)C1,-4.71
COCc1c(C(C)C)nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c1-c1ccc(F)cc1,-5.27
O=C1NCC2(CCCNC2)c2[nH]c(-c3ccnc(-c4ccc5c(c4)OCO5)n3)cc21,-5.4699998
COc1cncc(-c2nccc(-c3cc4c([nH]3)C3(CCCNC3)CNC4=O)n2)c1,-5.6999998
CN1CCN(Cc2ccc(C(c3nnnn3Cc3ccccc3)N3CCCN(C4CCC4)CC3)cc2)CC1,-6.0999999
CN1C(=O)CC(N2CCN(CCCN3c4ccccc4COc4ccc(CC(=O)O)cc43)CC2)N(C)C1=O,-5.52
CN1C(=O)CC(N2CCCN(CCCN3c4ccccc4CCc4ccc(C(=O)O)cc43)CC2)N(C)C1=O,-5.3600001
CN1C(=O)CC(N2CCCN(CC/C=C3/c4ccccc4CCc4ccc(CC(=O)O)cc43)CC2)N(C)C1=O,-5.3200002
COCN1C(=O)NC(=O)C(c2ccccc2)(c2ccccc2)C1=O,-4.5
CCCCCC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O,-5.9699998
C=C(C)C(COc1c2occc2cc2ccc(=O)oc12)OC(C)(C)C(O)COc1c2occc2cc2ccc(=O)oc12,-4.48
CCCCCCCCCC(=O)O,-4.6799998
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(O)c1OC,-4.9499998
COC(=O)C[C@@H](C(=O)NN(Cc1ccc(/C=C\c2ccccc2)cc1)C[C@@](O)(Cc1ccccc1)C(=O)NC1c2ccccc2C[C@H]1O)C(C)(C)C,-5.079999900000002
COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)nc(-c3cccc(F)c3)nc2c1C,-5.3000002
C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1,-4.8400002