0 B10R1.13 CC(=O)C1=CN=C(N)N=C1 O10258 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.13 CC(C)C1=CN=C(N)N=C1 FD7250 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.13 CC1=CC=C([C@H](C)N)N=N1 56579 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.13 CC1=CC=C([C@H](C)N)N=N1 56581 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 C91123 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 C92102 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.13 CC1=CN=C([C@H](C)N)C=N1 D96435 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 D96383 [0,0,0,0,0,0|1,0,1]=2 8 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 56587 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 56589 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 90823 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 90824 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 D96354 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.13 C[C@H](N)C1=CN=C(F)C=C1 AC7189 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50249 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 F50317 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.13 C[S@](=O)C1=CN=C(Br)C=C1 22983 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.13 N=C(N)C1=CN=C(Br)C=C1 W17790 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.13 NC(=O)C1=CN=C(Br)N=C1 D76256 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.13 O=C(F)C1=CC=C(F)C=C1 AT22483 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.1 CC1=CC=C(CN)N=N1 37065 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.1 CC1=NC=C(CCl)C=N1 P10827 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.1 CC1=NN=C(CCl)C=C1 F30432 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.1 CCC1=CC=C(N)N=N1 AT21731 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.1 COC1=NC=C(C)N=C1 AT23462 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.6 C=C(F)C1=CC=CC=C1 CS3204 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.6 CN(N)C1=CC=CN=C1 D74848 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.6 C[C@H](N)C1=CN=CN=C1 P12431 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.6 C[C@H](N)C1=CN=CN=C1 P12500 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.6 C[C@H](N)C1=CN=NC=C1 P18973 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.6 C[C@H](O)C1=CN=CN=C1 P11936 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.6 C[C@H](O)C1=NN=CC=C1 P14065 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.6 C[P@H](=O)C1=CC=CC=C1 O11981 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.6 NC(=S)C1=NN=CC=C1 O12058 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.3 CN(C)C1=CN=C(CN)N=C1 P10962 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.3 CNC1=NC=C(C(=N)N)C=C1 AT24739 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.3 C[C@H](N)C1=CN=C(C#N)C=C1 P19331 [0,1,0,0,0,0|1,0,2]=4 37 B11R1.3 N#CC1=NC=C(C(=N)N)C=C1 AT24733 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.3 NCC1=NC=C(C(=O)O)C=N1 AT18397 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.3 NCC1=NC=C(C(N)=O)C=C1 O11498 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.3 O=C(O)C1=CC=C(CF)C=C1 E72963 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.19 CC1=NC=C(S(N)(=O)=O)C=C1 P20529 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.21 CC1=C(S)C=C(C(=O)O)C=C1 D74668 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.21 CC1=CC(C(=O)O)=NN=C1C AT17788 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.21 CC1=CC(C(C)C)=CN=C1N AT11127 [0,1,0,0,0,0|1,0,2]=4 45 B11R1.21 NC(=O)C1=CN=C(Cl)C(F)=C1 D97046 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.21 NC1=CC(C(=O)O)=CN=C1F AT14227 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.21 [BH3-]C1=C(C)C=CC(C(N)=O)=C1 AC8800 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.22 CNC(=S)C1=CC=C(Br)C=C1 AC9075 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.22 COC(=O)C1=CN=C(Br)N=C1 AT22353 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.22 COC(=O)C1=NN=C(F)C=C1 AT24744 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.22 O=C(CBr)C1=NN=C(Cl)C=C1 W11188 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.22 O=C(CO)C1=CN=C(Cl)C=C1 C91057 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.166 CC(=O)C1=C(F)C=C(N)C=C1 AT16600 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.166 CC(=O)C1=C(O)N=C(Cl)C=C1 AT20297 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.166 CC(=O)C1=CN=C(Cl)C=C1N AC9826 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.166 CC(C)C1=C(N)N=C(Br)C=C1 AT12665 [0,1,0,0,0,0|1,0,2]=4 57 B11R1.166 CC1=CC(Br)=C([C@H](C)N)C=C1 C92023 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.166 CC1=CC(Br)=C([C@H](C)N)C=C1 C92046 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.166 CC1=CC(C)=C(B(O)O)C=N1 C90593 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.166 CC1=CC(Cl)=C([C@H](C)Br)C=C1 AT15344 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.166 CC1=CC(Cl)=C([C@H](C)N)C=C1 D96376 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.166 CC1=CC(Cl)=C([N+](=O)[O-])C=N1 P12234 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.166 CC1=CC(N)=C(B(O)O)C=N1 FD10194 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.166 CC1=CC=C(B(O)O)C(O)=N1 AC3645 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.166 O=C(O)C1=C(I)C=C(Br)N=C1 AT12762 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.166 O=C(O)C1=C(I)C=C(Cl)N=C1 P12286 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.166 O=C(O)C1=C(O)N=C(Br)C=C1 AC4834 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.35 CC(=O)C1=CC(Br)=CO1 AT15600 [0,0,0,0,1,0|3,0,0]=4 69 B9R1.35 CC(=O)C1=CC(N)=NN1 P14350 [0,0,0,0,1,0|3,0,0]=4 70 B9R1.35 CC(=O)C1=CNC(Br)=C1 AC9410 [0,0,0,0,1,0|2,0,1]=4 71 B9R1.35 CC(=O)C1=NN(C)C=N1 91785 [0,0,0,0,1,0|3,0,0]=4 72 B9R1.35 CC1=CC(C(=O)O)=CO1 AT17486 [0,0,0,0,1,0|3,0,0]=4 73 B9R1.35 CC1=CC=C([C@H](C)N)O1 D96335 [0,0,0,0,1,0|2,0,1]=4 74 B9R1.35 CC1=CC=C([C@H](C)N)O1 D96391 [0,0,0,0,1,0|2,0,1]=4 75 B9R1.35 CC1=CC=C([C@H](C)N)O1 Y12181 [0,0,0,0,1,0|2,0,1]=4 76 B9R1.35 CC1=COC(C(=O)O)=C1 P12603 [0,0,0,0,1,0|3,0,0]=4 77 B9R1.35 CC1=COC(C(=O)O)=N1 94252 [0,0,0,0,1,0|3,0,0]=4 78 B9R1.35 C[C@H](N)C1=NN(C)C=C1 28567 [0,0,0,0,1,0|2,0,1]=4 79 B9R1.35 C[C@H](N)C1=NN(C)C=C1 AT13620 [0,0,0,0,1,0|2,0,1]=4 80 B9R1.35 C[C@H](N)C1=NN(C)C=C1 AT14359 [0,0,0,0,1,0|2,0,1]=4 81 B9R1.35 C[C@H](N)C1=NN(C)C=C1 D74824 [0,0,0,0,1,0|2,0,1]=4 82 B9R1.35 C[C@H](O)C1=NN(C)C=C1 AT14456 [0,0,0,0,1,0|2,0,1]=4 83 B11R1.20 CC(=O)NC1=CN=C(Br)C=N1 D76261 [0,0,0,0,0,1|3,0,0]=4 84 B11R1.20 CC1=CN=C(CC(=O)[O-])C=N1 C92933 [0,0,0,0,0,1|3,0,0]=4 85 B11R1.20 CN(C)CC1=CN=C(Br)C=C1 D76266 [0,0,0,0,0,1|2,0,1]=4 86 B11R1.20 O=C(O)CC1=CN=C(F)C=C1 AT23306 [0,0,0,0,0,1|3,0,0]=4 87 B8R1.2 C[13CH2]C1=CC=CC=C1 D98792 [2,0,0,0,0,0|1,0,1]=4 88 B8R1.3 CC1=NN=C(S)C=C1 AT17805 [2,0,0,0,0,0|2,0,0]=4 89 B8R1.3 FC1=CN=C(S)C=C1 AT18757 [2,0,0,0,0,0|2,0,0]=4 90 B10R1.1 CC#CC1=CN=C(Br)C=C1 E73185 [1,1,0,0,0,0|1,0,1]=4 91 B10R1.1 O=CCC1=CN=C(Br)C=C1 AC9639 [1,1,0,0,0,0|1,0,1]=4 92 B10R1.3 CCC1=NC=C(C=O)C=C1 53643 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.3 CNC1=CC=C(NC)C=C1 AT11002 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.3 COC1=CN=C(CN)N=C1 P14665 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.3 COC1=NN=C(CN)C=C1 C15178 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.3 [C-]#[N+]C1=CN=C(OC)C=C1 AC9404 [1,1,0,0,0,0|1,0,1]=4 97 B10R1.25 CC1=CC(Cl)=C(C=O)C=N1 AT24663 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.25 CC1=CC(Cl)=C(CO)C=N1 AT24662 [1,1,0,0,0,0|1,0,1]=4 99 B10R1.25 CC1=NC(C)=C(CCl)C=C1 93160 [1,1,0,0,0,0|1,0,1]=4 100 B10R1.25 CNC1=C(Br)C=C(C)N=N1 AT18441 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.25 COC1=C(Br)C=C(F)N=C1 H10310 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.25 COC1=C(Br)C=C(N)N=C1 P18768 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.25 COC1=C(N)N=C(Cl)C=C1 AT10100 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.25 O=CC1=CN=C(Cl)C=C1O AC9110 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.176 COC1=CN=C(C)C(N)=C1 AT11250 [1,1,0,0,0,0|1,0,0]=3 106 B10R1.15 O=C(CBr)C1=CN=CN=C1 O10670 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.61 C[C@H](N)C1=CC=CN=C1F AC8220 [1,1,0,0,0,0|1,0,1]=4 108 B10R1.61 C[C@H](O)C1=C(F)C=CN=C1 AT10684 [1,1,0,0,0,0|1,0,1]=4 109 B10R1.61 C[C@H](O)C1=CC=CN=C1F AT10061 [1,1,0,0,0,0|1,0,1]=4 110 B10R1.61 O=C(O)C1=C(S)C=CN=C1 AT16203 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 D96342 [1,1,0,0,0,0|1,0,1]=4 112 B10R1.31 COC1=NSC(C(C)=O)=C1 AT11832 [0,1,0,0,1,0|2,0,0]=4 113 B10R1.194 CC(=O)C1=C(F)N(C)N=C1 E73005 [0,1,0,0,1,0|2,0,0]=4 114 B12R1.4 CC(=O)NC1=CC=C(O[13CH3])C=C1 41458 [0,1,0,0,0,1|2,0,0]=4 115 B12R1.233 CC1=CC=C(CC(=O)O)C(Cl)=N1 AT21641 [0,1,0,0,0,1|2,0,0]=4 116 B12R1.5 COC(=O)C1=CN=C(CN)N=C1 P12852 [0,2,0,0,0,0|2,0,0]=4 117 B12R1.5 COC(=O)C1=CN=C(CN)N=C1 P14737 [0,2,0,0,0,0|2,0,0]=4 118 B12R1.113 CCOC1=NC=C(C(=N)N)C=C1 AT24741 [0,2,0,0,0,0|2,0,0]=4 119 B12R1.256 CC(=O)C1=CN=C(C(F)F)C=C1 E73013 [0,2,0,0,0,0|1,0,0]=3 120 B12R1.452 COC1=CC(Cl)=C(C(=N)N)C=N1 F51101 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.232 CC1=C(Cl)C=C(C(=O)O)C(Cl)=N1 AT21679 [0,2,0,0,0,0|2,0,0]=4 122 B12R1.367 CC1=C(Cl)C=C(\C(C)=N\O)C=C1 D72579 [0,2,0,0,0,0|2,0,0]=4 123 B12R1.367 COC(=O)C1=CN=C(Br)C(Br)=C1 AT24221 [0,2,0,0,0,0|2,0,0]=4 124 B12R1.367 COC(=O)C1=CN=C(Br)C(N)=C1 D85762 [0,2,0,0,0,0|2,0,0]=4 125 B12R1.367 COC(=O)C1=CN=C(C)C(N)=C1 AT14218 [0,2,0,0,0,0|1,0,0]=3 126 B12R1.367 COC(=O)C1=CN=C(F)C(N)=C1 AT14234 [0,2,0,0,0,0|2,0,0]=4 127 B12R1.367 COC(=O)C1=CN=C(I)C(Cl)=C1 AT24238 [0,2,0,0,0,0|2,0,0]=4 128 B12R1.367 COC(=O)C1=CN=C(I)C(F)=C1 AT24237 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.1703 COC(=O)C1=C(I)C=C(Cl)N=C1 AT19633 [0,2,0,0,0,0|2,0,0]=4 130 B12R2.606 CC1=CC2=C(C=N1)CC(=O)N2 D72985 [0,0,0,1,0,1|2,0,0]=4 131 B12R2.606 CC1=NC2=C(C=C1)N=C(Cl)N2 D73151 [0,0,0,1,0,1|2,0,0]=4 132 B12R2.606 NC1=CC2=C(C=N1)NC(=O)C2 D72978 [0,0,0,1,0,1|2,0,0]=4 133 B12R2.9 OCC1=NC=C(C2CC2)C=C1 AT22125 [0,1,0,1,0,0|0,0,2]=4 134 B12R2.612 CC1=CC2=C(C=N1)C(I)=NN2 AT24665 [0,1,0,1,0,0|2,0,0]=4 135 B12R2.612 CC1=CNC2=C1C=NC(N)=N2 P14406 [0,1,0,1,0,0|2,0,0]=4 136 B12R2.612 CC1=NC=C2C(=C1)NN=C2N AT20053 [0,1,0,1,0,0|2,0,0]=4 137 B12R2.612 NC1=CNC2=C1C=CC(F)=N2 AT25313 [0,1,0,1,0,0|2,0,0]=4 138 B12R2.612 O=C1CCC2=C1C=CC(Br)=N2 D72218 [0,1,0,1,0,0|2,0,0]=4 139 B12R2.612 O=C1CCC2=CC(Cl)=NC=C12 AT11786 [0,1,0,1,0,0|2,0,0]=4 140 B8R1.1 C=CC1=NN(C)C=C1 C91458 [1,0,0,0,1,0|1,0,0]=3 141 B8R1.1 CC1=COC(C=O)=C1 P11782 [1,0,0,0,1,0|2,0,0]=4 142 B8R1.7 CC(=O)C1=NSC=C1 AT21125 [1,0,0,0,1,0|2,0,0]=4