0 B12R2.252 NC(=O)C1=CC2=C(C=CS2)N1 DY676917 [0,0,0,0,0,0|2,0,0]=2 1 B11R2.15 OCC1=CC2=C(N=CS2)N1 DY669066 [1,0,0,0,0,0|0,0,1]=2 2 B13R2.400 CC1=CC2=C(C=C(C(=O)O)N2)O1 DY673099 [0,1,0,0,0,0|1,1,0]=3 3 B13R2.400 O=C(O)C1=CC2=C(C=C(Cl)S2)N1 NO14567 [0,1,0,0,0,0|1,0,0]=2 4 B13R2.531 COC(=O)C1=CC2=C(C=CS2)N1 DY573393 [0,1,0,0,0,0|1,0,0]=2 5 B13R2.531 COC(=O)C1=CC2=C(C=CS2)S1 DY10780 [0,1,0,0,0,0|2,0,0]=3 6 B13R2.3678 O=C(O)C1=CC2=C(N1)C(Br)=CS2 NO22142 [0,1,0,0,0,0|1,0,0]=2 7 B13R2.3678 O=C(O)C1=CC2=C(N1)SC=C2Br DY787648 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O NO20416 [0,0,1,0,0,0|1,0,2]=4 9 B13R2.430 CC(=O)C1=CC2=C(C=C1)SC=N2 NO16602 [0,0,0,0,0,1|2,0,0]=3 10 B13R2.430 NC(=O)C1=CC2=C(C=C1)SC=N2 NO16894 [0,0,0,0,0,1|2,0,0]=3 11 B13R2.430 O=C(Cl)C1=CC2=C(C=C1)SN=N2 DY794307 [0,0,0,0,0,1|3,0,0]=4 12 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CO2 DY526995 [0,0,0,0,0,1|1,1,0]=3 13 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=NN2 NO18134 [0,0,0,0,0,1|3,0,0]=4 14 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=N2 NO13765 [0,0,0,0,0,1|2,0,0]=3 15 B13R2.430 O=C(O)C1=CC2=C(C=C1)NN=N2 NO20140 [0,0,0,0,0,1|3,0,0]=4 16 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 NO21477 [0,0,0,0,0,1|2,1,0]=4 17 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=C2 DY441149 [0,0,0,0,0,1|2,0,0]=3 18 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=N2 NO10225 [0,0,0,0,0,1|1,0,0]=2 19 B13R2.430 O=C(O)C1=CC2=C(C=CN2)C=N1 NO15936 [0,0,0,0,0,1|2,0,1]=4 20 B13R2.430 O=C(O)C1=CC2=C(C=CO2)C=N1 DY556071 [0,0,0,0,0,1|1,1,1]=4 21 B13R2.430 O=C(O)C1=CC2=NC=CN2C=C1 DY443245 [0,0,0,0,0,1|3,0,0]=4 22 B13R2.430 O=C(O)C1=CC2=NNN=C2C=C1 NO18133 [0,0,0,0,0,1|3,0,0]=4 23 B13R2.430 O=C(O)C1=CC=C2C=CNC2=C1 NO22275 [0,0,0,0,0,1|2,0,1]=4 24 B13R2.430 O=C(O)C1=CC=C2CC=CC2=C1 DY585461 [0,0,0,0,0,1|3,0,0]=4 25 B13R2.430 O=C(O)C1=CC=C2NC=CC2=C1 NO22274 [0,0,0,0,0,1|2,0,1]=4 26 B13R2.430 O=C(O)C1=CN2C=CN=C2C=C1 DY521205 [0,0,0,0,0,1|3,0,0]=4 27 B13R2.430 O=C(O)C1=CN=C2NC=CC2=C1 NO18462 [0,0,0,0,0,1|1,0,2]=4 28 B13R2.430 O=C(O)C1=CN=C2NC=NC2=C1 NO14581 [0,0,0,0,0,1|2,0,0]=3 29 B13R2.430 O=C(O)C1=CN=C2SC=CC2=C1 DY509114 [0,0,0,0,0,1|2,0,0]=3 30 B13R2.430 O=C(O)C1=NC=C2NC=CC2=C1 NO16880 [0,0,0,0,0,1|1,0,2]=4 31 B13R2.430 O=C(O)C1=NC=C2OC=CC2=C1 NO14661 [0,0,0,0,0,1|2,0,1]=4 32 B13R2.430 O=C(O)[C@@H]1CC2=C(CN1)N=CN2 DY438184 [0,0,0,0,0,1|1,0,2]=4 33 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)N=CS2 NO10499 [0,0,0,0,0,1|2,0,1]=4 34 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 NO21212 [0,0,0,0,0,1|3,0,0]=4 35 B13R2.435 NC(=O)C1=CC2=C(C=CN=C2)N1 DY670474 [0,0,0,0,0,1|3,0,0]=4 36 B13R2.435 NC(=O)C1=CC2=CC=CN=C2N1 DY458747 [0,0,0,0,0,1|2,0,0]=3 37 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 NO21478 [0,0,0,0,0,1|3,0,0]=4 38 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 NO21476 [0,0,0,0,0,1|3,0,0]=4 39 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 NO14473 [0,0,0,0,0,1|2,0,0]=3 40 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)S1 DY441179 [0,0,0,0,0,1|3,0,0]=4 41 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 NO22268 [0,0,0,0,0,1|2,0,0]=3 42 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 DY441174 [0,0,0,0,0,1|2,0,0]=3 43 B13R2.435 O=C(O)C1=CC2=CC=NC=C2N1 NO18576 [0,0,0,0,0,1|1,0,0]=2 44 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 NO15306 [0,0,0,0,0,1|2,0,0]=3 45 B13R2.435 O=C(O)C1=CC2=NC=CC=C2O1 DY509336 [0,0,0,0,0,1|3,0,0]=4 46 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 DY750679 [0,0,0,0,0,1|3,0,0]=4 47 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 NO18211 [0,0,0,0,0,1|3,0,0]=4 48 B13R2.435 O=C(O)C1=NC2=CC=CN=C2S1 DY575139 [0,0,0,0,0,1|3,0,0]=4 49 B13R2.435 O=C(O)[C@@H]1CC2=CC=CN=C2N1 DY623964 [0,0,0,0,0,1|1,0,2]=4 50 B10R1.66 CC(=O)\C=C\C1=CC=CS1 DY584490 [1,0,1,0,0,0|2,0,0]=4 51 B10R1.66 O=C(O)\C=C\C1=COC=C1 DY759860 [1,0,1,0,0,0|2,0,0]=4 52 B10R1.66 O=C(O)\C=C\C1=CSC=C1 DY510459 [1,0,1,0,0,0|2,0,0]=4 53 B10R1.31 N#CC1=CC=C(C(=O)O)N1 DY717243 [1,0,1,0,0,0|1,0,1]=4 54 B10R1.31 O=Cc1ccc(C(=O)O)o1 NO18919 [1,0,1,0,0,0|1,1,0]=4 55 B12R1.389 CC(=O)NC1=CNC(C(=O)O)=C1 DY522537 [0,1,1,0,0,0|2,0,0]=4 56 B14R2.601 CC(=O)C1=CC2=C(C=C1)N=C(Cl)S2 DY752059 [0,1,0,0,0,1|2,0,0]=4 57 B14R2.601 CC1=NC2=C(C=C(C(=O)O)C=C2)O1 NO21686 [0,1,0,0,0,1|1,1,0]=4 58 B14R2.601 CC1=NC2=C(C=C(C(=O)O)C=C2)S1 DY567633 [0,1,0,0,0,1|1,0,0]=3 59 B14R2.601 CC1=NC2=C(C=CC(C(=O)O)=C2)O1 NO15881 [0,1,0,0,0,1|1,1,0]=4 60 B14R2.601 CC1=NC2=C(C=CC(C(=O)O)=C2)S1 NO13702 [0,1,0,0,0,1|1,0,0]=3 61 B14R2.601 NC1=NC2=C(C=C(C(=O)O)C=C2)S1 DY534261 [0,1,0,0,0,1|1,0,0]=3 62 B14R2.601 O=C(O)C1=CC2=C(C=C1)N=C(Br)S2 NO21381 [0,1,0,0,0,1|1,0,0]=3 63 B14R2.601 O=C(O)C1=CC2=C(C=C1)N=C(Cl)S2 NO21422 [0,1,0,0,0,1|1,0,0]=3 64 B14R2.601 O=C(O)C1=CC2=C(C=C1)N=C(O)S2 DY10125 [0,1,0,0,0,1|1,0,0]=3 65 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=N2 NO11587 [0,1,0,0,0,1|2,0,0]=4 66 B14R2.966 COC(=O)C1=CC2=C(C=C1)OC=N2 DY580329 [0,1,0,0,0,1|1,1,0]=4 67 B14R2.966 COC(=O)C1=CN=C2N=CSC2=C1 DY771615 [0,1,0,0,0,1|0,0,1]=3 68 B14R2.24358 CN1C=NC2=C1C=C(C(=O)O)C=C2 NO20703 [0,1,0,0,0,1|2,0,0]=4 69 B14R2.450 CN1C(C(=O)O)=CC2=CC=CC=C21 NO11350 [0,1,0,0,0,1|2,0,0]=4 70 B14R2.450 NC1=C(C(=O)O)NC2=CC=CC=C21 DY728563 [0,1,0,0,0,1|2,0,0]=4 71 B14R2.450 O=C(O)C1=C(Br)C2=CC=CN=C2N1 DY511227 [0,1,0,0,0,1|1,0,0]=3 72 B14R2.450 O=C(O)C1=C(Cl)C2=CC=CN=C2S1 DY581265 [0,1,0,0,0,1|2,0,0]=4 73 B14R2.972 COC(=O)C1=CC2=C(C=CN=C2)N1 DY458519 [0,1,0,0,0,1|2,0,0]=4 74 B14R2.972 COC(=O)C1=CC2=CC=CC=C2N1 NO11361 [0,1,0,0,0,1|2,0,0]=4 75 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 NO13203 [0,1,0,0,0,1|1,0,0]=3 76 B14R2.972 COC(=O)C1=CC2=CC=CN=C2O1 DY683857 [0,1,0,0,0,1|2,0,0]=4 77 B14R2.972 COC(=O)C1=CC2=NC=CN=C2S1 NO18450 [0,1,0,0,0,1|2,0,0]=4 78 B14R2.972 NNC(=O)C1=CC2=CC=CN=C2N1 DY739001 [0,1,0,0,0,1|2,0,0]=4 79 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=C1 NO10730 [0,1,0,0,0,1|2,0,0]=4 80 B14R2.4529 CC1=CC=C2NC(C(=O)O)=CC2=C1 NO10456 [0,1,0,0,0,1|2,0,0]=4 81 B14R2.4529 CC1=CN=C2SC(C(=O)O)=CC2=C1 DY678206 [0,1,0,0,0,1|2,0,0]=4 82 B14R2.4529 NC(=O)C1=CC2=C(C=NC(Cl)=N2)N1 DY779578 [0,1,0,0,0,1|2,0,0]=4 83 B14R2.4529 NC1=NC2=C(C=N1)C=C(C(=O)O)S2 DY532419 [0,1,0,0,0,1|2,0,0]=4 84 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)N=C2)N1 NO12323 [0,1,0,0,0,1|2,0,0]=4 85 B14R2.4529 O=C(O)C1=CC2=CC(Br)=NC=C2N1 NO15209 [0,1,0,0,0,1|1,0,0]=3 86 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2N1 NO22050 [0,1,0,0,0,1|2,0,0]=4 87 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 DY20054 [0,1,0,0,0,1|2,0,0]=4 88 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2N1 NO22090 [0,1,0,0,0,1|2,0,0]=4 89 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)C=C2N1 DY20052 [0,1,0,0,0,1|2,0,0]=4 90 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2N1 DY20055 [0,1,0,0,0,1|2,0,0]=4 91 B14R2.4529 O=C(O)C1=CC2=NC(Cl)=CC=C2N1 DY572481 [0,1,0,0,0,1|2,0,0]=4 92 B14R2.7969 CC1=C2C=C(C(=O)O)NC2=NC=C1 DY676760 [0,1,0,0,0,1|1,0,0]=3 93 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=NC=C2N1 DY739085 [0,1,0,0,0,1|1,0,0]=3 94 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 NO14286 [0,1,0,0,0,1|2,0,0]=4 95 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2Cl)N1 NO12322 [0,1,0,0,0,1|1,0,0]=3 96 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2N1 DY530451 [0,1,0,0,0,1|2,0,0]=4 97 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2N1 NO12600 [0,1,0,0,0,1|2,0,0]=4 98 B14R2.839 CCOC(=O)C1=CC2=C(C=CS2)N1 NO14488 [0,2,0,0,0,0|1,0,0]=3 99 B14R2.839 CCOC(=O)C1=CC2=C(NC=C2)N1 DY540087 [0,2,0,0,0,0|1,0,1]=4 100 B12R1.226 O=C(O)\C=C\C1=CC(Br)=NC=C1 DY656386 [0,0,1,0,0,1|2,0,0]=4 101 B12R2.32 O=CC1=CC2=CC=CC=C2N1 NO18099 [1,0,0,0,0,1|2,0,0]=4 102 B12R2.32 O=CC1=CC2=CC=NC=C2S1 DY441877 [1,0,0,0,0,1|2,0,0]=4 103 B12R2.44 O=CC1=CC2=C(C=C1)N=CN2 DY561813 [1,0,0,0,0,1|2,0,0]=4 104 B12R2.44 O=CC1=CC2=C(C=C1)N=CO2 NO15841 [1,0,0,0,0,1|1,1,0]=4 105 B12R2.44 O=CC1=CC2=C(C=C1)OC=N2 NO16843 [1,0,0,0,0,1|1,1,0]=4 106 B14R2.781 O=C(O)C1=CC2=CN=CC=C2N=C1 DY769419 [0,0,0,0,0,2|2,0,0]=4 107 B14R2.781 O=C(O)C1=CC=C2C=NC=CC2=C1 NO10714 [0,0,0,0,0,2|2,0,0]=4 108 B14R2.781 O=C(O)C1=CC=C2N=CC=NC2=C1 NO11933 [0,0,0,0,0,2|2,0,0]=4 109 B14R2.781 O=C(O)C1=NC2=NC=CC=C2C=C1 DY769443 [0,0,0,0,0,2|1,0,1]=4 110 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 DY10334 [0,0,0,0,0,2|2,0,0]=4