0 B14R2.19 NC1=NC=C(CC2=CC=CC=C2)S1 DY609527 [0,0,0,0,0,0|2,0,2]=4 1 B14R2.19 NC1CCN(CC2=CC=CC=C2)C1 NO11457 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.19 N[C@@H]1CCN(CC2=CC=CC=C2)C1 DY507884 [0,0,0,0,0,0|3,0,1]=4 3 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 NO22300 [0,0,0,0,0,0|4,0,0]=4 4 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 NO10014 [0,0,0,0,0,0|1,0,1]=2 5 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 NO10013 [0,0,0,0,0,0|1,0,1]=2 6 B13R2.64 C1=CC=C(CN2CC=CC2)C=C1 NO20621 [1,0,0,0,0,0|3,0,0]=4 7 B13R2.64 C1=CC=C(C[C@H]2CCNC2)C=C1 DY625201 [1,0,0,0,0,0|2,0,1]=4 8 B15R2.15 NCC1=NOC(CC2=CC=CC=C2)=N1 DY604989 [0,1,0,0,0,0|2,0,1]=4 9 B15R2.297 O=C1CC(C(=O)C2=CC=CC=C2)CO1 DY614776 [0,1,0,0,0,0|2,0,1]=4 10 B15R2.305 NC1=NN(CC2=C(Cl)C=CC=C2)C=C1 DY644347 [0,1,0,0,0,0|2,0,1]=4 11 B15R2.325 N[C@@H]1C[C@H](O)[C@@H](CC2=CC=CC=C2)C1 DY586123 [0,1,0,0,0,0|2,0,1]=4 12 B15R2.1115 NC1=NN(CC2=CC(Cl)=CC=C2)C=C1 DY644544 [0,1,0,0,0,0|2,0,1]=4 13 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 NO11157 [0,0,1,0,0,0|3,0,0]=4 14 B13R1.718 COC(=O)CCCC1=CC=CC=C1 DY538413 [0,0,1,0,0,0|2,0,0]=3 15 B13R1.718 COC(=O)CCNC1=CC=CC=C1 NO22398 [0,0,1,0,0,0|3,0,0]=4 16 B13R1.718 COC(=O)CCOC1=CC=CC=C1 DY789279 [0,0,1,0,0,0|3,0,0]=4 17 B13R2.10 BrC1=NC(C2=CC=CC=C2)=NO1 DY121297 [0,0,0,0,1,0|2,0,1]=4 18 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 DY21050 [0,0,0,0,1,0|0,0,2]=3 19 B13R2.10 NC1=NSC(C2=CC=CC=C2)=N1 DY545709 [0,0,0,0,1,0|2,0,1]=4 20 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 NO13543 [0,0,0,0,1,0|3,0,0]=4 21 B13R2.10 O=C1NCC(c2ccccc2)O1 DY798081 [0,0,0,0,1,0|3,0,0]=4 22 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 NO11043 [0,0,0,0,1,0|1,0,1]=3 23 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 NO11041 [0,0,0,0,1,0|1,0,1]=3 24 B13R2.10 OC1=NC(C2=CC=CC=C2)=NO1 NO14482 [0,0,0,0,1,0|2,0,1]=4 25 B15R2.29 O=C1CCC(CC2=CC=CC=C2)CC1 DY106762 [0,0,0,0,0,1|3,0,0]=4 26 B15R2.31 O=C1CCCC(CC2=CC=CC=C2)C1 DY757045 [0,0,0,0,0,1|3,0,0]=4 27 B15R2.31 O=C1COCC(CC2=CC=CC=C2)N1 DY732379 [0,0,0,0,0,1|1,0,1]=3 28 B15R2.283 NC1=CC(CCC2=CC=CC=C2)=NO1 DY773025 [0,0,0,0,0,1|2,0,1]=4 29 B12R1.32 CC(CC1=CC=CC=C1)NC=O DY541845 [1,0,1,0,0,0|0,0,2]=4 30 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 DY623915 [1,0,1,0,0,0|0,0,2]=4 31 B12R1.32 NCCC(F)CC1=CC=CC=C1 DY527259 [1,0,1,0,0,0|1,0,1]=4 32 B12R1.118 OCC(CO)CC1=CC=CC=C1 DY545043 [1,0,1,0,0,0|1,0,1]=4 33 B12R1.252 CC(=O)NCCC1=CC=CC=C1 DY459522 [1,0,1,0,0,0|1,0,1]=4 34 B12R1.252 N=C(N)CCCC1=CC=CC=C1 DY608227 [1,0,1,0,0,0|2,0,0]=4 35 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 NO11453 [0,1,1,0,0,0|2,0,0]=4 36 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 NO16805 [0,1,1,0,0,0|1,0,1]=4 37 B14R1.756 COC(=O)C(N)CCc1ccccc1 DY439295 [0,1,1,0,0,0|2,0,0]=4 38 B14R2.598 CC1N=C(N)OC1C2=CC=CC=C2 DY773889 [0,1,0,0,1,0|2,0,0]=4 39 B16R2.2903 CC1(C)OC(=O)N[C@@H]1CC2=CC=CC=C2 DY538443 [0,2,0,0,0,0|1,0,1]=4 40 B14R2.1019 O=C1C[C@H](CO)CC2=CC=CC=C12 DY765653 [0,0,1,1,0,0|2,0,0]=4 41 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O DY20809 [0,0,1,0,1,0|2,0,0]=4 42 B12R1.43 NC(=O)C(N)Cc1ccccc1 DY438080 [0,0,1,0,1,0|1,0,1]=4 43 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O NO18748 [0,0,1,0,1,0|2,0,0]=4 44 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O NO15443 [0,0,1,0,1,0|2,0,0]=4 45 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O NO21178 [0,0,1,0,1,0|2,0,0]=4 46 B12R1.43 O=C(O)[C@@H](Cl)CC1=CC=CC=C1 DY624949 [0,0,1,0,1,0|2,0,0]=4 47 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 NO21095 [0,0,1,0,1,0|2,0,0]=4 48 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 NO15800 [0,0,1,0,1,0|2,0,0]=4 49 B12R1.43 [15NH2]C(CC1=CC=CC=C1)C(=O)O DY454731 [0,0,1,0,1,0|2,0,0]=4 50 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 DY610856 [0,0,1,0,1,0|1,0,1]=4 51 B12R1.27 COC(=O)CCC1=CC=CC=C1 DY433965 [0,0,1,0,1,0|1,0,0]=3 52 B12R1.27 COC(=O)CCC1=CC=NC=C1 DY662376 [0,0,1,0,1,0|2,0,0]=4 53 B12R1.27 COC(=O)CCC1=NC=CC=C1 DY713929 [0,0,1,0,1,0|2,0,0]=4 54 B12R1.27 COC(=O)CNC1=CC=CC=C1 DY543123 [0,0,1,0,1,0|2,0,0]=4 55 B12R2.2 C1=CC=C(C2=COC=N2)C=C1 DY773661 [1,0,0,0,1,0|0,0,2]=4 56 B14R1.422 N=C(N)NCCCOc1ccccc1 DY516861 [0,0,1,0,0,1|1,0,0]=3 57 B14R1.422 NC(=O)CCNCCC1=CC=CC=C1 DY611121 [0,0,1,0,0,1|2,0,0]=4 58 B14R2.101 C1=CC=C(COC2CC=CC2)C=C1 DY744463 [1,0,0,0,0,1|2,0,0]=4