| 1 |
NCC(=O)c1ccc(/N=C2\NCC(=O)c3ccccc3C2=O)cc1Cl |
-8.491 |
| 2 |
NCC(=O)c1ccc(/N=C2\NCC(=O)c3ccccc3C2=O)cc1 |
-7.760 |
| 3 |
NS(=O)(=O)c1ccc(NC(=O)C[NH2+]C2CC2)c2sccc2c1=O |
-7.613 |
| 4 |
Nc1ccc(S(N)(=O)=O)cc1C=O |
-7.391 |
| 5 |
NC(=O)c1cccc(NC(=O)NCn2c(=O)ccc3sccc32)c1 |
-7.387 |
| 6 |
NC(=O)c1ccc(C(=O)NN2CCC(=O)c3ccsc3C2=O)cc1 |
-7.306 |
| 7 |
NS(=O)(=O)[C@@H]1CCC/[NH+]=C2/C(=O)c3ccccc3C(O)=C2CC1 |
-7.256 |
| 8 |
NS(=O)(=O)c1cccc(/[NH+]=C2\C=C(O)c3ccccc3C2=O)c1 |
-7.223 |
| 9 |
NS(=O)(=O)c1ccc(NN2CCC(=O)c3ccccc3C2=O)cc1 |
-7.222 |
| 10 |
NS(=O)(=O)c1ccc(NN2CCC(=O)c3ccccc3C2=O)cc1 |
-7.186 |
| 11 |
NS(=O)(=O)Oc1ccc(/[NH+]=C2\C=C(O)c3ccccc3C2=O)cc1 |
-7.137 |
| 12 |
NS(=O)(=O)c1ccc(N2CC(=O)c3ccccc3[C@@H]2C=O)cc1 |
-7.118 |
| 13 |
NS(=O)(=O)c1ccc(NC(=O)CN[C@H]2C(=O)c3ccccc32)cc1 |
-7.116 |
| 14 |
NS(=O)(=O)C1CN(NC2=NCC(=O)c3ccccc3C2=O)C1 |
-7.115 |
| 15 |
NS(=O)(=O)[C@@H]1CCCN/C=C(/C(=O)c2ccccc2Cl)C[C@@H]1F |
-7.078 |
| 16 |
NS(=O)(=O)c1ccc(N/N=C2/C(=O)N(C=O)c3sccc32)cc1 |
-7.041 |
| 17 |
NS(=O)(=O)C[C@@H]1C[C@H](CN=c2c(=O)c3ccccc3c2=O)[NH2+]1 |
-7.036 |
| 18 |
NS(=O)(=O)c1ccc(Nc2c(C(=O)c3cccnc3)c2=O)cc1 |
-7.000 |
| 19 |
NC(=O)[C@@H]1CC(=O)N(CN2CCC(=O)c3ccccc3C2=O)C1 |
-6.992 |
| 20 |
NS(=O)(=O)c1ccc(/[NH+]=C2/C=C(O)c3ccccc3C2=S)cc1 |
-6.984 |
| 21 |
Nc1ccc(=O)cc(NC(=S)N2CC(=O)c3ccsc3C2)c1CF |
-6.951 |
| 22 |
NC(=O)c1cccc(NC(=O)NCC(=O)c2ccccc2C(=O)[O-])c1 |
-6.939 |
| 23 |
NS(=O)(=O)[C@@H]1CCCNC2=C(CC1)C(=O)c1cccnc1C2=O |
-6.927 |
| 24 |
NS(=O)(=O)c1ccc(NC(=O)C(=O)c2ccsc2F)cc1Cl |
-6.924 |
| 25 |
CNS(=O)(=O)N[C@@H](F)C(=O)NC[C@]1(O)C(=O)c2ccccc21 |
-6.921 |
| 26 |
NC(=O)c1ccc(NC(=O)NC[C@]2(C=O)C(=O)c3sccc32)cc1 |
-6.920 |
| 27 |
NS(=O)(=O)c1ccc(NC(=O)[C@]2(O)COc3cnccc3C2)cc1 |
-6.917 |
| 28 |
NS(=O)(=O)[C@H]1C(=O)NC(=O)C(=O)[C@@H]2[C@@H]1C[C@H]2C(=O)[O-] |
-6.887 |
| 29 |
NS(=O)(=O)[C@@H]1CCCNc2sc3ccccc3c(=O)c2CC1=O |
-6.882 |
| 30 |
NS(=O)(=O)[C@@H]1CN(NC(=O)CSc2ccccc2F)C1=O |
-6.869 |
| 31 |
NC(=O)S(=O)(=O)NN(CO)CC1=C([O-])c2ccccc2C1=O |
-6.856 |
| 32 |
NC(=O)c1ccc(CN2C(=O)N[C@@H]3C(=O)c4ccccc4[C@@H]32)cc1 |
-6.845 |
| 33 |
NS(=O)(=O)[C@@H]1CCCNc2cc3ccccc3c(O)c2C[C@H]1O |
-6.827 |
| 34 |
N[S@](=O)c1ccc(F)cc1NCC(=O)[C@@H]1[NH2+]CC(=O)c2ccccc21 |
-6.768 |
| 35 |
NS(=O)(=O)[C@@H]1CCCNC2=C(CC1=O)C(=O)c1ccsc12 |
-6.763 |
| 36 |
NS(=O)(=O)CN1C[C@H]([N-]C2=C[C@@H](O)c3ccccc3C2=O)C[C@H]1Cl |
-6.749 |
| 37 |
NS(=O)(=O)[C@@H]1CCCn2cc(c(=O)c3ccccc3c2=O)CC1 |
-6.749 |
| 38 |
NS(=O)(=O)[C@@H]1CCCNC2=C[C@@H](CC1)C(=O)c1ccccc12 |
-6.700 |
| 39 |
NC(=O)[C@@H]1CCC[N+](=O)N/N=C(/C(=O)c2ccccc2[N+](=O)[O-])CC1 |
-6.693 |
| 40 |
NS(=O)(=O)c1ccc(-n2ccc(=O)c3ccccc3c2=O)cc1 |
-6.673 |
| 41 |
NS(=O)(=O)c1ccc(NC(=O)C(=O)c2ccsc2Cl)cc1F |
-6.661 |
| 42 |
NS(=O)(=O)c1ccc(Nc2oc3sccc3c2C(=O)[O-])cc1 |
-6.649 |
| 43 |
NS(=O)(=O)c1ccc([NH+]=CC2=C(O)c3ccccc3C(=O)C2)cc1 |
-6.641 |
| 44 |
C[C@H](O)C(=O)c1ccc(NC2=CC(=O)c3ccccc3C2=O)cc1 |
-6.638 |
| 45 |
NS(=O)(=O)c1ccc(Nc2sc3ccccc3c2C(=O)[O-])cc1 |
-6.624 |
| 46 |
NC(=O)S(=O)(=O)NN(C=O)CC1=C([O-])c2ccccc2C1=O |
-6.622 |
| 47 |
NS(=O)(=O)c1ccc(Nc2cc(O)n(-c3ccccc3Cl)c2)cc1 |
-6.616 |
| 48 |
Cc1cc(N2CC(=O)c3ccccc3C2=O)ccc1S(N)(=O)=O |
-6.601 |
| 49 |
NS(=O)(=O)C1C[NH+](CN2COc3sccc3C(=O)C2=O)C1 |
-6.590 |
| 50 |
NS(=O)(=O)[C@@H]1CCCNC2=C[C@@H](C[C@H]1F)C(=O)c1ccsc1O2 |
-6.572 |
| 51 |
NS(=O)(=O)c1ccc(N[C@@H]2CC(=O)c3ccccc3C2=O)cc1F |
-6.560 |
Datasets
Models
