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stringlengths 17
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|---|---|
Fc1ccc(cc1C)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2
| 8.39794
|
s1c(ccc1-c1cc(C#N)c(F)cc1)C12N=C(N)N(C)C(=O)C1CN(C2)c1ccccc1
| 7.045757
|
Clc1ccccc1-c1n(CC(=O)NC(=[NH2+])N)c(cc1)-c1ccc(Oc2ccc(cc2)C(=O)C)cc1
| 6.154902
|
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(C(O)CCC)C1=O)C)C(O)C1[NH2+]CC(OCCC)C1
| 7.154902
|
Clc1cc2nc(n(c2cc1)CCCC(=O)NCC1CC1)N
| 2.544546
|
Brc1cc(cc(F)c1N)C[C@@H]1CS(=O)(=O)C[C@H]([NH2+]Cc2cc(ccc2)C(F)(F)C)[C@H]1O
| 5.863279
|
Clc1cc2CC(N=C(NC(Cc3cscc3C3CC3)C(=O)[O-])c2cc1)(C)C
| 5.614394
|
Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CCCCC1)c1cc(-n2nccc2)ccc1
| 7.229148
|
Clc1cc2c(OC3(CC2[NH2+]CC(O)C(NC(=O)C)Cc2ccccc2)CCC3)nc1
| 6.019088
|
Clc1ccc(nc1)C(=O)Nc1cc(ccc1)C1(N=C(N)CNC1=O)C
| 6.458421
|
O1CCCCNc2cc(cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]C(COC)c1cc(ccc1)C(C)(C)C)COC
| 6.175223
|
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCC2=O)ccc1
| 6.086186
|
O1C2COCCC2(N=C1N)c1cc(ccc1)-c1cc(ccc1)C#N
| 4.333482
|
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1nccc(c1)C(C)(C)C
| 6.19382
|
Fc1cc(cc(F)c1)CC(NC(=O)C(N1CCC(NC(=O)C)(C(CC)C)C1=O)CCc1ccccc1)[C@H](O)[C@H]1[NH2+]Cc2c(C1)cccc2OC
| 6.853872
|
Clc1cc(ccc1)-c1cc(ccc1)C1(OCCC(=N1)N)C
| 5.200659
|
O(C(C)C)c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1
| 7.221849
|
s1cc(cc1)-c1cc(ccc1)C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1
| 7.356547
|
Fc1cc(cc(F)c1)CC(NC(=O)c1cc(cc(c1)/C(=N\OCc1ccccc1)/C)C(=O)N(CCC)CCC)C(O)C[NH2+]Cc1cc(OC)ccc1
| 7.173925
|
s1cccc1C1([NH2+]CC(O)C(NC(=O)C)Cc2cc(F)cc(F)c2)CCCCC1
| 4.522879
|
s1cc(cc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1
| 4.332547
|
Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]Cc1cc(ccc1)C(C)(C)C
| 5.886056
|
S(=O)(=O)(N(c1cc(cc(c1)/C(=N/OC)/C)C(=O)NC([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)c1ccccc1)C
| 8
|
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(N2CCCOCC2)ccc1
| 6.154902
|
Fc1cc(cc(F)c1)CC(NC(=O)c1c2cccnc2n(c1)C(=O)N(CCCC)C)C(O)C1[NH2+]Cc2c(C1)cccc2
| 5.920819
|
Clc1ccc(nc1)C(=O)Nc1cc2c(CCC23N=C(SC3)N)cc1
| 5.39794
|
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)\C=C\CCCOC
| 7.30103
|
O1c2c(cc(cc2)-c2ccncc2)C2(N=C(N)N(C)C2=O)CC1(C)C
| 5.202733
|
S1(Oc2c(N1c1cc(ccc1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)cccc2)(=O)=O
| 6.040958
|
S(CC[C@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)C(=O)N[C@H]([C@@H](O)[C@@H]1CC(=O)C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)[NH2+]CCCC)CC(C)C)C
| 8
|
Fc1cc(cc(F)c1)CC(NC(=O)c1c2c(n(c1)C(=O)N(CCCC)CCCC)cccc2)C(O)C[NH2+]Cc1cc(OC)ccc1
| 7.346788
|
Brc1cc(ccc1OC)CC1CS(=O)(=O)CC([NH2+]Cc2cc(ccc2)C(C)C)C1O
| 5.552842
|
S1(=O)(=O)N(c2c3n(cc(c3c(cc2)C(=O)NC(C(O)CC(OC)COCc2ccc(OC)cc2)COc2cc(F)cc(F)c2)CC)CC1)C
| 5.823909
|
Clc1cc(cnc1)-c1cc2c(CC(CC23N=C(SC3)N)(C)C)cc1
| 5.700275
|
Fc1ncccc1-c1cc2c(CC(CC23N=C(OC3)N)(C)C)cc1
| 5.719422
|
O(CCCC)c1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cccnc1
| 7.30103
|
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CC1)c1cc(N2C3CC(CC3)C2)ccc1
| 5.721246
|
Clc1cc2nc(n(c2cc1)C(CC(=O)NCC1CC1)CC)N
| 3.614394
|
Clc1cc2CC([NH+]=C(N[C@@H](Cc3cscc3-c3cn[nH]c3)C(=O)[O-])c2cc1)(C)C
| 6.346788
|
S1CC(N=C1N)(C)c1cc(NC(=O)c2ncccc2)ccc1
| 5.046724
|
O(C)c1cc(ccc1)C[NH2+]C[C@@H](O)[C@@H](NC(=O)[C@@H](N1CC[C@](NC(=O)C)([C@H](CC)C)C1=O)CCc1ccccc1)Cc1ccccc1
| 8.30103
|
O1C2COCCC2(N=C1N)c1cc(NC(=O)c2nc(oc2)C)ccc1
| 4.417937
|
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COCc1cc(OC)ccc1)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C
| 5
|
Fc1c2c(ccc1)C(N=C2N)(c1cc(ccc1)-c1cc(cnc1)C#N)c1cc(ncc1)C(F)(F)F
| 6.59688
|
FC(F)(F)Oc1ccc(cc1)CC(NC(=O)C)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2
| 7.853872
|
Brc1cc2c(cc1)C1(CCC2)C[NH2+]CC1C(=O)N1CCC(CC1c1ccccc1)c1ccccc1
| 7.154902
|
Fc1ccc(NC(=O)c2ncc(OCC)cc2)cc1[C@]1(N=C(OCC1(F)F)N)C
| 6.735182
|
O(C)c1cc(ccc1)C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1
| 5.866461
|
Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)c3c(C2)cccc3)C)c(F)cc1
| 7.21467
|
Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@]1(CCc2n[nH]cc2C1)c1cc(ccc1)C(C)(C)C
| 7.920819
|
S1(=O)(=O)N(CCCC1)c1cc(cc(NCC)c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cc(ccc1)C(F)(F)F)Cc1ccccc1
| 8.522879
|
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)NC(C(O)CC(OC)COC(C)C)COc1cc(F)cc(F)c1)C(=O)NC(C)c1ccccc1)C
| 6.318759
|
S(CC[C@H](NC(=O)CCC(C)C)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)NCCCC)C)CC(C)C)C
| 6.229148
|
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(-n2nccn2)ccc1
| 5.113509
|
S1CC(N=C(N)C1)(C)c1cc(ccc1)-c1cc(OC)ccc1
| 5.69897
|
O(C)c1cc(ccc1)-c1cc(ccc1)C1(N=C(C)C(=N1)N)c1ccncc1
| 6.769551
|
Clc1cc2nc(n(c2cc1)C(CC(=O)N(CC1CCCCC1)C)CC)N
| 3.425969
|
Clc1ccc(nc1)C(=O)Nc1cc(C2(N=C(N)C(=O)N(C2)C)C)c(F)cc1
| 7.39794
|
s1cncc1CNC(=O)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C
| 7.508638
|
FC(F)Oc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1)CC
| 6.045757
|
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1cc(ccc1)C(C#N)(C)C
| 6.779892
|
S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH2+]Cc2noc(c2)CC(C)(C)C)C1
| 7.721246
|
O(CC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1
| 4.9914
|
S(=O)(=O)(N1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@@H](C(C(=O)NOCc2ccccc2)=C1C)c1ccccc1)C
| 4.669586
|
O=C1N(CCC1)C(C)(C)C1CC(CCC1)C(=O)NC(Cc1ccccc1)C(O)C[NH2+]Cc1cc(ccc1)C(C)C
| 7.60206
|
S(=O)(=O)(N(C)c1cc(cc(c1)/C(=N\OCc1ccccc1)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1)C
| 8.045757
|
S1(=O)(=O)N(c2cc(cc3c2n(cc3CC)CC1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CCOCC1)Cc1ccccc1)CC
| 8.30103
|
O1CC2(N=C1N)c1cc(ccc1Oc1c2cc(OC)cc1)-c1ccc(cc1)C
| 5.74958
|
Fc1ccc(cc1OCCCF)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
| 8
|
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@@H](O)C[C@H](C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1)C)COCc1cc(F)cc(F)c1)C(=O)N[C@H](C)c1ccccc1)C
| 8.180456
|
Fc1ncccc1-c1cc(ccc1)[C@@]1([NH+]=C(N2C1=NCCC2)N)c1ccc(OC(F)(F)F)cc1
| 6.431799
|
Fc1c(cccc1OC)-c1cc(ccc1)[C@]1([NH+]=C(N2CC(F)(F)CN=C12)N)c1ccncc1
| 7.39
|
Clc1ccc(nc1)C(=O)Nc1cc([C@@]2(N=C(N)C(=O)N(C2)C)C)c(F)cc1
| 4.522879
|
S(CC)c1cc(ccc1)-c1ccc(cc1)C1CC1C=1N=C(N)N(C)C(=O)C=1
| 5.040958
|
O=C1N(C)C(=NC(=C1)C1CC1c1ccc(cc1)-c1ccccc1)N
| 4.59176
|
S(=O)(=O)(N(C)c1cc(cc(c1)COCC([NH3+])(Cc1ccccc1)C)C(=O)NC(C)c1ccc(F)cc1)C
| 6.463441
|
S1(=O)(=O)N(CCCC1)c1cc(cc(c1)/C(=N\OCC=C)/C)C(=O)N[C@H]([C@@H](O)C[NH2+]Cc1cc(OC)ccc1)Cc1cc(F)cc(F)c1
| 6.954677
|
O1CCCCNc2cc(N3C=COC3)cc(c2)C(=O)NC(Cc2cc1ccc2)C(O)C[NH2+]Cc1cc(ccc1)C(C)C
| 7.721246
|
Clc1cc(ccc1)-c1cc2c(Oc3c(cc(OC)cc3)C23N=C(OC3)N)cc1
| 6.886056
|
Clc1cc(N(S(=O)(=O)C)c2cc(ccc2)C(=O)NC(Cc2ccccc2)C(O)C[NH2+]C(C(=O)NC2CCCCC2)C)cc(Cl)c1
| 7.958607
|
O(C)c1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(ccc1)-c1cncnc1
| 7.522879
|
O1C2CCCCC2(N=C1N)c1cc(ccc1)-c1cc(OC)ccc1
| 4.420217
|
S1(=O)(=O)CC(Cc2cc(OCCOC)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1
| 7
|
O=C1N(C)C(=NC(=C1)CCc1cc(ccc1)-c1ccccc1)N
| 5.187087
|
O1CCCC1C(=O)NC(Cc1cc2OCOc2cc1)C(O)C[NH2+]C1CC2(Oc3ncc(cc13)CC(C)(C)C)CCC2
| 7.69037
|
S(=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H]([C@H](O)C[NH2+]C1CC1)Cc1ccccc1)C(=O)c1ccccc1)C
| 7.008774
|
o1ccc(C)c1C(=O)Nc1cc(ccc1)C1(N=C(N)N(C)C1=O)C1CCCCC1
| 7.39794
|
S1(=O)(=O)N(C2(CC([NH+](CC2)Cc2cc(OC(C)C)ccc2)C)CN1c1ncccn1)c1cc(F)ccc1
| 5.823909
|
S1(=O)(=O)CC(Cc2cc(O[C@@H](C(F)(F)F)C)c(N)c(F)c2)C(O)C([NH2+]Cc2cc(ccc2)C(C)(C)C)C1
| 8.522879
|
Fc1cc(cc(F)c1)CC(NC(=O)C)C(O)C[NH2+]C1(CCCCC1)c1nnn(c1)C12CC3CC(C1)CC(C2)C3
| 6.406714
|
Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+][C@@]1(C[C@H]1C)c1cc(ccc1)C(C(F)F)(C)C
| 5.769551
|
O1[C@@H]2COCC[C@@]2(N=C1N)c1cc(ccc1)-c1cncnc1
| 4.003051
|
Fc1cc(cc(F)c1)C[C@H](NC(=O)C)[C@H](O)C[NH2+]C1(CC1)c1cc(ccc1)C(C(F)F)(C)C
| 6.638272
|
S1(=O)CC(Cc2cc(OC(COC)C(F)(F)F)c(N)c(F)c2)C(O)C([NH3+])C1
| 3.823909
|
S(C(C)C)C(NC(=O)C(C(C)C)CC(O)C1NC(=O)c2cc(N(S(=O)(=O)C)C)cc(c2)C(=O)NC(c2cc(COC1)ccc2)c1ccccc1)C(=O)NCc1ccccc1
| 6.619789
|
O=C(NCC1CCCCC1)CCc1cc2cc(ccc2nc1N)-c1ccccc1C
| 7.468521
|
Clc1cc2nc(n(c2cc1)C(CC(C)C)CC(=O)NCc1cc(F)ccc1)N
| 4.267606
|
O1c2ncc(cc2C([NH2+]CC(O)C(NC(=O)C)Cc2ccccc2)CC12CCC2)CC(C)C
| 8.30103
|
Fc1c2c(ccc1)C(N=C2N)(C=1C=C(C)C(=O)N(C=1)C)c1cc(ccc1)-c1cncnc1
| 7.216096
|
O(C(=O)CN1C(C)=C(C(=O)N[C@H]([C@H](O)C[NH2+]C2CC2)Cc2ccccc2)[C@H](C)C(C(=O)NOCc2ccccc2)=C1C)C
| 4.818156
|
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