0 B9R1.6 CC(=O)C1=CC=CC=N1 BB_SC-06522 [0,0,0,0,0,0|0,0,0]=0 1 B9R1.6 CC(=O)C1=CC=NC=C1 BB_SC-12406 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 CC(=O)C1=NC=CN=C1 BB_SC-12418 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.6 CC(N)C1=CC=CC=C1 BB_SC-09414 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.6 CN(C)C1=CC=NC=C1 BB_SC-07248 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.6 C[C@@H](N)C1=CC=CC=C1 BB_NC-02297 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.6 C[C@H](N)C1=CC=CC=C1 BB_SC-10322 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.6 N=C(N)C1=CC=CC=C1 BB_SC-07183 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.6 N=C(N)C1=CC=CN=C1 BB_SC-07349 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.6 NC(=O)C1=CC=CN=C1 BB_NC-02290 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.6 NC(=O)C1=CC=NC=C1 BB_SC-06660 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.6 NC(=O)C1=CN=CC=N1 BB_SC-01250 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.6 NC(=S)C1=CN=CC=C1 BB_SC-05504 [0,0,0,0,0,0|3,1,0]=4 13 B9R1.6 O=C(Cl)C1=CN=CC=C1 BB_SC-06783 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.6 O=C(O)C1=CC=CN=C1 BB_SC-12613 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.6 O=C(O)C1=CC=NC=C1 BB_SC-07270 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.6 O=C(O)C1=CN=CC=N1 BB_SC-05383 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.6 O=C([O-])C1=NC=CC=C1 BB_SC-07257 [0,0,0,0,0,0|1,0,0]=1 18 B8R1.2 C=CC1=CC=CC=N1 BB_SC-05428 [1,0,0,0,0,0|0,0,1]=2 19 B8R1.2 C=CC1=CC=NC=C1 BB_SC-05441 [1,0,0,0,0,0|2,0,1]=4 20 B8R1.2 COC1=NC=CC=C1 BB_SC-07094 [1,0,0,0,0,0|1,0,0]=2 21 B8R1.2 ClCC1=CC=CC=N1 BB_SC-02985 [1,0,0,0,0,0|1,0,1]=3 22 B8R1.2 N#CC1=NC=CC=C1 BB_SC-08696 [1,0,0,0,0,0|1,0,1]=3 23 B8R1.2 N#CC1=NC=CN=C1 BB_SC-08694 [1,0,0,0,0,0|2,0,1]=4 24 B8R1.2 NCC1=CC=CC=N1 BB_SC-05841 [1,0,0,0,0,0|1,0,1]=3 25 B8R1.2 NNC1=CC=CC=C1 BB_SC-06741 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.2 NNC1=NC=CC=C1 BB_SC-07490 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.2 O=CC1=CC=CC=N1 BB_SC-07272 [1,0,0,0,0,0|0,0,0]=1 28 B8R1.2 O=CC1=CC=NC=C1 BB_SC-06717 [1,0,0,0,0,0|2,0,0]=3 29 B8R1.2 O=CC1=CN=CC=C1 BB_SC-11212 [1,0,0,0,0,0|2,0,0]=3 30 B8R1.2 OCC1=CC=CC=C1 BB_SC-07027 [1,0,0,0,0,0|1,0,2]=4 31 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 BB_SC-06664 [0,1,0,0,0,0|1,0,0]=2 32 B10R1.13 CC(=O)C1=CC=C(C)C=C1 BB_SC-06635 [0,1,0,0,0,0|1,0,0]=2 33 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 BB_SC-06734 [0,1,0,0,0,0|1,0,0]=2 34 B10R1.13 CC(=O)C1=CC=C(I)C=C1 BB_SC-08802 [0,1,0,0,0,0|1,0,0]=2 35 B10R1.13 CC(=O)C1=CC=C(N)C=C1 BB_SC-10671 [0,1,0,0,0,0|1,0,0]=2 36 B10R1.13 CC(=O)C1=CC=C(O)C=C1 BB_SC-06720 [0,1,0,0,0,0|1,0,0]=2 37 B10R1.13 CC(C)C1=CC=C(N)C=C1 BB_SC-12018 [0,1,0,0,0,0|2,0,1]=4 38 B10R1.13 CC(C)C1=CC=C(O)C=C1 BB_SC-12725 [0,1,0,0,0,0|2,0,1]=4 39 B10R1.13 CC(N)C1=CC=C(Br)C=C1 BB_SC-11893 [0,1,0,0,0,0|2,0,1]=4 40 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 BB_SC-06932 [0,1,0,0,0,0|2,0,0]=3 41 B10R1.13 CN(C)C1=NN=C(Cl)C=C1 BB_SC-06424 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.13 N=C(N)C1=CC=C(N)C=C1 BB_SC-07955 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.13 NC(=O)C1=CC=C(N)C=C1 BB_SC-05091 [0,1,0,0,0,0|2,0,0]=3 44 B10R1.13 NC(=S)C1=CC=C(O)C=C1 BB_SC-03474 [0,1,0,0,0,0|2,1,0]=4 45 B10R1.13 NC1=CC=C(C(=O)O)C=N1 BB_SC-05191 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 BB_SC-06735 [0,1,0,0,0,0|2,0,0]=3 47 B10R1.13 O=C(O)C1=CC=C(F)C=C1 BB_SC-06507 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.13 O=C(O)C1=CC=C(O)C=C1 BB_NC-02308 [0,1,0,0,0,0|2,0,0]=3 49 B10R1.13 O=C(O)C1=CC=[N+]([O-])C=C1 BB_SC-12681 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 BB_SC-03259 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.13 O=C1C=CC(C(=O)O)=CN1 BB_NC-01873 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.13 O=C1C=CC(C(=O)O)=CO1 BB_NC-02200 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.13 O=C1C=CC(C(=O)O)=NN1 BB_SC-03396 [0,1,0,0,0,0|2,0,0]=3 54 B10R1.13 O=[N+]([O-])C1=CC=C(Br)C=C1 BB_SC-06256 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=C1 BB_SC-07099 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 BB_SC-05141 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.15 CCC(=O)C1=CC=CC=C1 BB_SC-06910 [0,1,0,0,0,0|1,0,0]=2 58 B10R1.15 COC(=O)C1=CC=CC=C1 BB_SC-07167 [0,1,0,0,0,0|1,0,0]=2 59 B10R1.15 COC(=O)C1=CN=CC=C1 BB_SC-06260 [0,1,0,0,0,0|2,0,0]=3 60 B10R1.15 C\C(=N/O)C1=CN=CC=C1 BB_SC-12646 [0,1,0,0,0,0|2,0,1]=4 61 B10R1.15 NCC(=O)C1=CC=CC=C1 BB_NC-02945 [0,1,0,0,0,0|1,0,0]=2 62 B10R1.15 NNC(=O)C1=CC=NC=C1 BB_SC-06246 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.15 N\C(=N/O)C1=CC=CC=C1 BB_SC-12259 [0,1,0,0,0,0|2,0,1]=4 64 B10R1.15 N\C(=N/O)C1=NC=CC=C1 BB_SC-12253 [0,1,0,0,0,0|1,0,1]=3 65 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 BB_SC-07030 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.61 CC(=O)C1=C(C)C=CC=C1 BB_SC-06871 [0,1,0,0,0,0|1,0,0]=2 67 B10R1.61 CC(=O)C1=C(O)C=CC=C1 BB_SC-06782 [0,1,0,0,0,0|1,0,0]=2 68 B10R1.61 CC(=O)C1=CC=CC=C1N BB_SC-09205 [0,1,0,0,0,0|1,0,0]=2 69 B10R1.61 CC1=C(C(=O)Cl)C=CC=C1 BB_SC-06956 [0,1,0,0,0,0|2,0,0]=3 70 B10R1.61 NC(=O)C1=C(O)C=CC=C1 BB_SC-00234 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.61 NC(=O)C1=C(O)C=CC=N1 BB_SC-05523 [0,1,0,0,0,0|1,0,0]=2 72 B10R1.61 NC1=C(C(=O)O)C=CC=N1 BB_SC-03260 [0,1,0,0,0,0|3,0,0]=4 73 B10R1.61 NC1=CC=CC=C1C(=O)O BB_NC-02812 [0,1,0,0,0,0|2,0,0]=3 74 B10R1.61 NC1=CC=CC=C1[N+](=O)[O-] BB_SC-10672 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.61 O=C(Cl)C1=C(Cl)C=CC=C1 BB_SC-06826 [0,1,0,0,0,0|2,0,0]=3 76 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 BB_SC-06990 [0,1,0,0,0,0|2,0,0]=3 77 B10R1.61 O=C(Cl)C1=CC=CN=C1Cl BB_SC-08695 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.61 O=C(O)C1=C(I)C=CC=C1 BB_SC-06764 [0,1,0,0,0,0|2,0,0]=3 79 B10R1.61 O=C(O)C1=CC=CC=C1F BB_SC-09447 [0,1,0,0,0,0|2,0,0]=3 80 B10R1.61 O=C(O)C1=CC=CN=C1Cl BB_SC-05455 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.61 O=C(O)C1=CC=CN=C1S BB_SC-06564 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.61 O=C(O)C1=CC=CNC1=O BB_NC-02163 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.113 CC(=O)C1=CC(O)=CC=C1 BB_SC-07222 [0,1,0,0,0,0|1,0,0]=2 84 B10R1.113 CC(=O)C1=CC=CC(N)=C1 BB_SC-10669 [0,1,0,0,0,0|1,0,0]=2 85 B10R1.113 CN(C)C1=NC(Cl)=CC=C1 BB_SC-12326 [0,1,0,0,0,0|2,0,0]=3 86 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 BB_SC-09887 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.113 NC(=O)C1=CC=CC(N)=C1 BB_SC-07456 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.113 NC(=O)C1=NC(Cl)=CC=C1 BB_SC-06272 [0,1,0,0,0,0|1,0,0]=2 89 B10R1.113 NC1=CC(C(=O)O)=CN=C1 BB_SC-04954 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.113 NC1=CC=CC(C(=O)O)=C1 BB_SC-12388 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.113 NC1=NC=CC(C(=O)O)=C1 BB_SC-05192 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 BB_SC-03258 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.113 O=C(O)C1=CC(Cl)=CC=N1 BB_SC-02566 [0,1,0,0,0,0|1,0,0]=2 94 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 BB_SC-04632 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.113 O=C(O)C1=CC(O)=CN=C1 BB_NC-01971 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.113 O=C(O)C1=CC=CC(O)=C1 BB_SC-06483 [0,1,0,0,0,0|2,0,0]=3 97 B10R1.113 O=C(O)C1=C[N+]([O-])=CC=C1 BB_SC-06795 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 BB_SC-03441 [0,1,0,0,0,0|1,0,0]=2 99 B10R1.113 O=C(O)C1=NC(O)=CC=C1 BB_SC-04741 [0,1,0,0,0,0|1,0,0]=2 100 B10R2.6 C1=CC=C(C2CO2)C=C1 BB_NC-02270 [0,0,0,1,0,0|1,0,2]=4 101 B8R1.7 CC(=O)C1=CC=CN1 BB_SC-04064 [0,0,0,0,1,0|0,0,1]=2 102 B8R1.7 CC(=O)C1=CC=CO1 BB_SC-06820 [0,0,0,0,1,0|1,0,0]=2 103 B8R1.7 CC(=O)C1=CSC=C1 BB_SC-04782 [0,0,0,0,1,0|1,0,0]=2 104 B8R1.7 CC(C)C1=NC=CN1 BB_SC-05536 [0,0,0,0,1,0|2,0,1]=4 105 B8R1.7 CS(=O)C1=NNC=N1 BB_SC-09591 [0,0,0,0,1,0|3,0,0]=4 106 B8R1.7 O=C(Cl)C1=CC=CS1 BB_SC-06755 [0,0,0,0,1,0|2,0,0]=3 107 B8R1.7 O=C(Cl)C1=CSN=N1 BB_SC-04191 [0,0,0,0,1,0|3,0,0]=4 108 B8R1.7 O=C(O)C1=CC=CN1 BB_SC-10428 [0,0,0,0,1,0|1,0,1]=3 109 B8R1.7 O=C(O)C1=CC=CO1 BB_SC-06491 [0,0,0,0,1,0|2,0,0]=3 110 B8R1.7 O=C(O)C1=CSC=C1 BB_SC-09202 [0,0,0,0,1,0|2,0,0]=3 111 B8R1.7 O=C(O)C1=CSN=N1 BB_SC-04188 [0,0,0,0,1,0|3,0,0]=4 112 B8R1.7 O=C(O)C1=NC=NN1 BB_SC-10825 [0,0,0,0,1,0|3,0,0]=4 113 B8R1.7 O=C(O)C1=NNC=C1 BB_SC-00195 [0,0,0,0,1,0|2,0,0]=3 114 B8R1.7 O=[N+]([O-])C1=CNC=N1 BB_SC-06887 [0,0,0,0,1,0|3,0,0]=4 115 B8R1.7 O=[N+]([O-])C1=NNC=C1 BB_SC-03912 [0,0,0,0,1,0|3,0,0]=4 116 B10R1.18 CC(=O)CC1=CC=CC=C1 BB_SC-09450 [0,0,0,0,0,1|1,0,0]=2 117 B10R1.18 CC(=O)NC1=CN=CC=C1 BB_SC-09458 [0,0,0,0,0,1|2,0,0]=3 118 B10R1.18 N=C(N)CC1=CC=CC=C1 BB_SC-07552 [0,0,0,0,0,1|3,0,0]=4 119 B10R1.18 NC(=S)NC1=CC=CC=C1 BB_SC-06692 [0,0,0,0,0,1|2,1,0]=4 120 B10R1.18 NC(=S)NC1=NC=CC=N1 BB_SC-12459 [0,0,0,0,0,1|2,1,0]=4 121 B10R1.18 O=C(Cl)CC1=CC=CC=C1 BB_SC-06754 [0,0,0,0,0,1|2,0,0]=3 122 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BB_SC-06813 [0,0,0,0,0,1|2,0,0]=3 123 B7R0.4 C\C=C\C=C\C(=O)O BB_NC-00413 [1,0,1,0,0,0|1,0,1]=4 124 B7R1.3 BrC1=CC=CC=N1 BB_SC-04785 [2,0,0,0,0,0|1,0,0]=3 125 B7R1.3 CC1=CC=NC=C1 BB_SC-07024 [2,0,0,0,0,0|2,0,0]=4 126 B7R1.3 ClC1=CC=CC=N1 BB_SC-06726 [2,0,0,0,0,0|1,0,0]=3 127 B7R1.3 ClC1=NC=CC=N1 BB_SC-02990 [2,0,0,0,0,0|2,0,0]=4 128 B7R1.3 ClC1=NC=CN=C1 BB_SC-07206 [2,0,0,0,0,0|2,0,0]=4 129 B7R1.3 FC1=CC=CC=N1 BB_SC-03368 [2,0,0,0,0,0|1,0,0]=3 130 B7R1.3 NC1=NC=CC=C1 BB_SC-06704 [2,0,0,0,0,0|1,0,0]=3 131 B7R1.3 NC1=NC=CC=N1 BB_SC-06567 [2,0,0,0,0,0|2,0,0]=4 132 B7R1.3 OC1=NC=CC=C1 BB_SC-07237 [2,0,0,0,0,0|0,0,1]=3 133 B7R1.3 SC1=NC=CC=N1 BB_SC-06856 [2,0,0,0,0,0|1,1,0]=4 134 B9R0.1 C\C=C(C)\C=C\C=C(C)C BB_NC-01504 [0,1,1,0,0,0|2,0,0]=4 135 B9R0.55 O=C(O)\C=C\C=C\C(=O)O BB_SC-02887 [0,1,1,0,0,0|2,0,0]=4 136 B9R1.1 CCC1=CC=C(N)C=C1 BB_SC-07009 [1,1,0,0,0,0|1,0,1]=4 137 B9R1.1 CNC1=CC=C(O)C=C1 BB_SC-07044 [1,1,0,0,0,0|2,0,0]=4 138 B9R1.1 COC1=CC=C(S)C=C1 BB_SC-06511 [1,1,0,0,0,0|2,0,0]=4 139 B9R1.1 COC1=NN=C(Cl)C=C1 BB_SC-07781 [1,1,0,0,0,0|2,0,0]=4 140 B9R1.1 NC1=CC=C(C=O)C=C1 BB_NC-02192 [1,1,0,0,0,0|1,0,0]=3 141 B9R1.1 O=CC1=CC=C(F)C=C1 BB_SC-03254 [1,1,0,0,0,0|1,0,0]=3 142 B9R1.1 O=CC1=CC=C(O)C=C1 BB_NC-02207 [1,1,0,0,0,0|1,0,0]=3 143 B9R1.2 COC1=CC=CC(N)=C1 BB_SC-07166 [1,1,0,0,0,0|2,0,0]=4 144 B9R1.2 COC1=CC=CC(O)=C1 BB_SC-06850 [1,1,0,0,0,0|2,0,0]=4 145 B9R1.2 CSC1=CC(N)=CC=C1 BB_SC-07267 [1,1,0,0,0,0|2,0,0]=4 146 B9R1.2 NNC1=NC(Cl)=CC=C1 BB_SC-08325 [1,1,0,0,0,0|2,0,0]=4 147 B9R1.2 O=CC1=CC(F)=CC=C1 BB_SC-03369 [1,1,0,0,0,0|1,0,0]=3 148 B9R1.2 O=CC1=NC(Br)=CC=C1 BB_SC-04737 [1,1,0,0,0,0|0,0,0]=2 149 B9R1.8 BrCCC1=CC=CC=C1 BB_SC-06958 [1,1,0,0,0,0|1,0,1]=4 150 B9R1.8 CCNC1=CC=CC=C1 BB_SC-06979 [1,1,0,0,0,0|1,0,1]=4 151 B9R1.8 CNCC1=CC=CC=C1 BB_SC-06901 [1,1,0,0,0,0|1,0,1]=4 152 B9R1.8 CNCC1=CC=CC=N1 BB_SC-11116 [1,1,0,0,0,0|0,0,1]=3 153 B9R1.8 COCC1=CC=CC=C1 BB_SC-07026 [1,1,0,0,0,0|1,0,1]=4 154 B9R1.8 ClCCC1=CC=CC=C1 BB_SC-04527 [1,1,0,0,0,0|1,0,1]=4 155 B9R1.8 N#CCC1=NC=CC=C1 BB_SC-05130 [1,1,0,0,0,0|0,0,2]=4 156 B9R1.8 NCCC1=CC=CC=C1 BB_SC-12701 [1,1,0,0,0,0|1,0,1]=4 157 B9R1.8 O=C=NC1=CC=CC=C1 BB_SC-06970 [1,1,0,0,0,0|1,0,1]=4 158 B9R1.8 OCCC1=CC=CC=C1 BB_NC-03339 [1,1,0,0,0,0|1,0,1]=4 159 B9R1.8 OCCC1=NC=CC=C1 BB_SC-11215 [1,1,0,0,0,0|0,0,1]=3 160 B9R1.15 CC1=C(C#N)N=CC=C1 BB_SC-07225 [1,1,0,0,0,0|1,0,1]=4 161 B9R1.15 CNC1=C(N)C=CC=N1 BB_SC-09969 [1,1,0,0,0,0|1,0,0]=3 162 B9R1.15 COC1=C(N)C=CC=N1 BB_SC-07758 [1,1,0,0,0,0|1,0,0]=3 163 B9R1.15 NC1=NC=CC=C1C=O BB_SC-04877 [1,1,0,0,0,0|2,0,0]=4 164 B9R1.15 O=CC1=C(Cl)C=CC=C1 BB_SC-06736 [1,1,0,0,0,0|1,0,0]=3 165 B9R1.15 O=CC1=C(O)C=CC=C1 BB_SC-09449 [1,1,0,0,0,0|1,0,0]=3 166 B9R1.15 O=CC1=CC=CN=C1Cl BB_SC-09204 [1,1,0,0,0,0|2,0,0]=4 167 B9R1.11 COC(=O)C1=NNC=C1 BB_SC-04725 [0,1,0,0,1,0|1,0,0]=3 168 B9R1.35 CC(=O)C1=CC=C(Br)S1 BB_SC-04749 [0,1,0,0,1,0|1,0,0]=3 169 B9R1.35 CC(=O)C1=CC=C(C)O1 BB_SC-05466 [0,1,0,0,1,0|1,0,0]=3 170 B9R1.35 CC(=O)C1=CN(C)N=C1 BB_SC-10380 [0,1,0,0,1,0|2,0,0]=4 171 B9R1.35 CC1=CC(C(=O)O)=NO1 BB_SC-09038 [0,1,0,0,1,0|2,0,0]=4 172 B9R1.35 CC1=NC(C(=O)O)=CO1 BB_SC-07364 [0,1,0,0,1,0|2,0,0]=4 173 B9R1.35 CN1C=CC(C(=O)O)=N1 BB_SC-06189 [0,1,0,0,1,0|2,0,0]=4 174 B9R1.35 O=C(O)C1=CC=C(Br)O1 BB_SC-03350 [0,1,0,0,1,0|2,0,0]=4 175 B9R1.35 O=C(O)C1=CSC(Br)=N1 BB_SC-05193 [0,1,0,0,1,0|2,0,0]=4 176 B9R1.41 CC(=O)C1=CC=NN1C BB_SC-03698 [0,1,0,0,1,0|1,0,1]=4 177 B9R1.41 O=C(O)C1=NNC=C1Br BB_SC-03756 [0,1,0,0,1,0|2,0,0]=4 178 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 BB_SC-07000 [0,1,0,0,0,1|1,0,0]=3 179 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 BB_SC-07122 [0,1,0,0,0,1|1,0,0]=3 180 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 BB_NC-02327 [0,1,0,0,0,1|2,0,0]=4 181 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 BB_NC-00007 [0,1,0,0,0,1|2,0,0]=4 182 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 BB_SC-07389 [0,1,0,0,0,1|2,0,0]=4 183 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 BB_NC-02267 [0,1,0,0,0,1|2,0,0]=4 184 B11R1.36 NC(C(=O)Cl)C1=CC=CC=C1 BB_NC-00460 [0,1,0,0,0,1|2,0,0]=4 185 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 BB_NC-00505 [0,1,0,0,0,1|2,0,0]=4 186 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 BB_NC-02227 [0,1,0,0,0,1|2,0,0]=4 187 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 BB_NC-02315 [0,1,0,0,0,1|2,0,0]=4 188 B11R1.40 COC(=O)CC1=CC=CC=C1 BB_SC-07169 [0,1,0,0,0,1|1,0,0]=3 189 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 BB_NC-02262 [0,1,0,0,0,1|1,0,0]=3 190 B11R1.40 NCC(=O)NC1=CC=NC=C1 BB_SC-08973 [0,1,0,0,0,1|2,0,0]=4 191 B11R1.40 NCC(=O)NC1=NC=CC=C1 BB_SC-08972 [0,1,0,0,0,1|0,0,0]=2 192 B11R1.40 O=C(CS)NC1=CC=CC=C1 BB_SC-00267 [0,1,0,0,0,1|1,0,0]=3 193 B11R1.157 CC(=O)NC1=CC(N)=CC=C1 BB_SC-04170 [0,1,0,0,0,1|1,0,0]=3 194 B11R1.157 CC(=O)NC1=NC(Cl)=CN=C1 BB_SC-10143 [0,1,0,0,0,1|1,0,0]=3 195 B11R1.157 CC1=CC(NC(N)=S)=NC=C1 BB_SC-12457 [0,1,0,0,0,1|1,1,0]=4 196 B11R1.157 NC(=O)CC1=CC=CC(N)=C1 BB_SC-07736 [0,1,0,0,0,1|2,0,0]=4 197 B11R1.157 NC(=O)NC1=CC=CC(O)=C1 BB_SC-05538 [0,1,0,0,0,1|2,0,0]=4 198 B11R1.157 NC(=S)NC1=CC(Cl)=CC=N1 BB_SC-12465 [0,1,0,0,0,1|1,1,0]=4 199 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 BB_SC-06916 [0,2,0,0,0,0|1,0,0]=3 200 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 BB_SC-06870 [0,2,0,0,0,0|2,0,0]=4 201 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 BB_SC-07129 [0,2,0,0,0,0|1,0,0]=3 202 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 BB_SC-06994 [0,2,0,0,0,0|2,0,0]=4 203 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 BB_SC-02991 [0,2,0,0,0,0|1,0,0]=3 204 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 BB_NC-00019 [0,2,0,0,0,0|2,0,0]=4 205 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 BB_SC-05430 [0,2,0,0,0,0|2,0,0]=4 206 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 BB_SC-05597 [0,2,0,0,0,0|2,0,0]=4 207 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 BB_SC-06208 [0,2,0,0,0,0|2,0,0]=4 208 B11R1.21 CC1=CN=C(C(=O)O)C=[N+]1[O-] BB_SC-02776 [0,2,0,0,0,0|2,0,0]=4 209 B11R1.21 CN1N=C(C(=O)O)C=CC1=O BB_SC-05030 [0,2,0,0,0,0|2,0,0]=4 210 B11R1.21 NC(=O)C1=CC=C(Cl)C(N)=C1 BB_SC-07921 [0,2,0,0,0,0|2,0,0]=4 211 B11R1.21 NC(=O)C1=CC=C(F)C(N)=C1 BB_SC-10911 [0,2,0,0,0,0|2,0,0]=4 212 B11R1.21 NC1=C(O)C=CC(C(=O)O)=C1 BB_SC-09640 [0,2,0,0,0,0|2,0,0]=4 213 B11R1.21 NC1=CC(C(=O)O)=CC=C1F BB_SC-10660 [0,2,0,0,0,0|2,0,0]=4 214 B11R1.21 NC1=CC=C(C(=O)O)C=C1N BB_SC-02405 [0,2,0,0,0,0|2,0,0]=4 215 B11R1.21 NC1=CC=C(C(=O)O)C=C1S BB_SC-05037 [0,2,0,0,0,0|2,0,0]=4 216 B11R1.21 O=C(Cl)C1=CC(F)=C(F)C=C1 BB_SC-10725 [0,2,0,0,0,0|2,0,0]=4 217 B11R1.21 O=C(O)C1=CC(Br)=C(F)C=C1 BB_SC-03271 [0,2,0,0,0,0|2,0,0]=4 218 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=C1 BB_SC-03262 [0,2,0,0,0,0|2,0,0]=4 219 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 BB_SC-04580 [0,2,0,0,0,0|2,0,0]=4 220 B11R1.21 O=C(O)C1=CC=C(F)C(F)=C1 BB_SC-04572 [0,2,0,0,0,0|2,0,0]=4 221 B11R1.21 O=C(O)C1=CC=C(O)C(O)=C1 BB_NC-02256 [0,2,0,0,0,0|2,0,0]=4 222 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 BB_SC-06931 [0,2,0,0,0,0|1,0,0]=3 223 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 BB_SC-06905 [0,2,0,0,0,0|1,0,0]=3 224 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 BB_SC-07445 [0,2,0,0,0,0|1,0,0]=3 225 B11R1.22 COC(=O)C1=CC=C(O)C=C1 BB_NC-02783 [0,2,0,0,0,0|1,0,0]=3 226 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 BB_SC-11368 [0,2,0,0,0,0|1,0,0]=3 227 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 BB_SC-00086 [0,2,0,0,0,0|2,0,0]=4 228 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 BB_SC-06259 [0,2,0,0,0,0|2,0,0]=4 229 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 BB_SC-07012 [0,2,0,0,0,0|1,0,0]=3 230 B11R1.166 CC(=O)C1=C(Cl)C=C(Cl)C=C1 BB_SC-06991 [0,2,0,0,0,0|1,0,0]=3 231 B11R1.166 CC(=O)C1=CC=C(N)C=C1O BB_SC-08749 [0,2,0,0,0,0|1,0,0]=3 232 B11R1.166 CC(=O)C1=CC=C(O)C=C1O BB_SC-06691 [0,2,0,0,0,0|1,0,0]=3 233 B11R1.166 NC(=O)C1=CC=C(N)C=C1Cl BB_SC-07355 [0,2,0,0,0,0|2,0,0]=4 234 B11R1.166 O=C(O)C1=C(F)C=C(F)C=C1 BB_SC-10701 [0,2,0,0,0,0|2,0,0]=4 235 B11R1.166 O=C(O)C1=CC=C(O)C=C1O BB_NC-02190 [0,2,0,0,0,0|2,0,0]=4 236 B11R1.16 CCCC(=O)C1=CC=CC=C1 BB_SC-06998 [0,2,0,0,0,0|1,0,0]=3 237 B11R1.16 CCOC(=O)C1=CC=CC=C1 BB_SC-07029 [0,2,0,0,0,0|1,0,0]=3 238 B11R1.16 CCOC(=O)C1=CC=NC=C1 BB_SC-06515 [0,2,0,0,0,0|2,0,0]=4 239 B11R1.16 CCOC(=O)C1=NC=CC=C1 BB_SC-12669 [0,2,0,0,0,0|0,0,0]=2 240 B11R1.16 N#CCC(=O)C1=CC=CC=C1 BB_SC-05743 [0,2,0,0,0,0|1,0,0]=3 241 B11R1.16 [N-]=[N+]=CC(=O)C1=CN=CC=N1 BB_SC-02872 [0,2,0,0,0,0|1,0,1]=4 242 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 BB_SC-06986 [0,2,0,0,0,0|1,0,0]=3 243 B11R1.23 CNC(=O)C1=CC(Cl)=NC=C1 BB_SC-09888 [0,2,0,0,0,0|2,0,0]=4 244 B11R1.23 CNC(=O)C1=CC=CC(N)=C1 BB_SC-07457 [0,2,0,0,0,0|1,0,0]=3 245 B11R1.23 CNC(=O)C1=NC(Cl)=CC=C1 BB_SC-07528 [0,2,0,0,0,0|0,0,0]=2 246 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 BB_SC-09886 [0,2,0,0,0,0|2,0,0]=4 247 B11R1.23 COC(=O)C1=CC=CC(Cl)=N1 BB_SC-06671 [0,2,0,0,0,0|0,0,0]=2 248 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 BB_SC-06886 [0,2,0,0,0,0|1,0,0]=3 249 B11R1.222 CNC(=O)C1=CC=CC=C1O BB_SC-00487 [0,2,0,0,0,0|1,0,0]=3 250 B11R1.222 COC(=O)C1=CC=CC=C1N BB_SC-02799 [0,2,0,0,0,0|1,0,0]=3 251 B11R1.222 COC(=O)C1=CC=CC=C1O BB_SC-07170 [0,2,0,0,0,0|1,0,0]=3 252 B11R1.222 COC(=O)C1=CC=CN=C1N BB_SC-05275 [0,2,0,0,0,0|2,0,0]=4 253 B11R1.222 COC(=O)C1=NC=CN=C1N BB_SC-03277 [0,2,0,0,0,0|1,0,0]=3 254 B11R1.222 NNC(=O)C1=C(O)C=CC=C1 BB_SC-00083 [0,2,0,0,0,0|2,0,0]=4 255 B11R1.53 CNC1=C(C(=O)O)C=CC=C1 BB_NC-02268 [0,2,0,0,0,0|2,0,0]=4 256 B11R1.53 COC1=C(C(=O)O)C=CC=C1 BB_SC-12471 [0,2,0,0,0,0|2,0,0]=4 257 B11R1.53 COC1=CC=CC=C1C(C)=O BB_SC-06447 [0,2,0,0,0,0|1,0,0]=3 258 B11R1.53 COC1=CC=CN=C1[N+](=O)[O-] BB_SC-02998 [0,2,0,0,0,0|2,0,0]=4 259 B11R1.53 NNC1=C(C(=O)O)C=CC=C1 BB_SC-05512 [0,2,0,0,0,0|2,0,0]=4 260 B11R1.53 O=CC1=CC=CC=C1C(=O)O BB_SC-06206 [0,2,0,0,0,0|2,0,0]=4 261 B11R1.156 O=C(Cl)C1=C(Cl)C=CC=C1Cl BB_SC-10723 [0,2,0,0,0,0|2,0,0]=4 262 B11R1.156 O=C(Cl)C1=C(F)C=CC=C1F BB_SC-04581 [0,2,0,0,0,0|2,0,0]=4 263 B11R1.156 O=C(O)C1=C(Cl)C=CC=C1Cl BB_SC-04569 [0,2,0,0,0,0|2,0,0]=4 264 B11R1.156 O=C(O)C1=C(F)C=CC=C1F BB_SC-00376 [0,2,0,0,0,0|2,0,0]=4 265 B11R1.156 O=C(O)C1=C(O)C=CC=C1O BB_SC-02393 [0,2,0,0,0,0|2,0,0]=4 266 B11R1.159 O=C(O)C1=C(F)C(F)=CC=C1 BB_SC-10700 [0,2,0,0,0,0|2,0,0]=4 267 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 BB_SC-06880 [0,2,0,0,0,0|1,0,0]=3 268 B11R1.167 CC(=O)C1=CC(N)=CC=C1O BB_NC-02592 [0,2,0,0,0,0|1,0,0]=3 269 B11R1.167 CC(=O)C1=CC(O)=CC=C1O BB_SC-06838 [0,2,0,0,0,0|1,0,0]=3 270 B11R1.167 NC(=O)C1=C(Cl)C=CC(N)=C1 BB_SC-07661 [0,2,0,0,0,0|2,0,0]=4 271 B11R1.167 NC(=O)C1=CC(N)=CC=C1F BB_SC-10746 [0,2,0,0,0,0|2,0,0]=4 272 B11R1.167 NC1=C(C(=O)O)C=C(F)C=C1 BB_SC-02770 [0,2,0,0,0,0|2,0,0]=4 273 B11R1.167 NC1=C(C(=O)O)C=C(I)C=C1 BB_SC-05514 [0,2,0,0,0,0|2,0,0]=4 274 B11R1.167 NC1=C(C(=O)O)C=C(O)C=C1 BB_SC-02782 [0,2,0,0,0,0|2,0,0]=4 275 B11R1.167 NC1=CC(C(=O)O)=C(O)C=C1 BB_NC-00015 [0,2,0,0,0,0|2,0,0]=4 276 B11R1.167 NC1=CC=C(Br)C=C1C(=O)O BB_SC-02779 [0,2,0,0,0,0|2,0,0]=4 277 B11R1.167 NC1=CC=C(Cl)C(C(=O)O)=C1 BB_SC-10834 [0,2,0,0,0,0|2,0,0]=4 278 B11R1.167 NC1=CC=C(F)C(C(=O)O)=C1 BB_SC-10837 [0,2,0,0,0,0|2,0,0]=4 279 B11R1.167 O=C(O)C1=C(Cl)C=CC(Cl)=C1 BB_SC-04571 [0,2,0,0,0,0|2,0,0]=4 280 B11R1.167 O=C(O)C1=C(Cl)C=CC(F)=C1 BB_SC-06258 [0,2,0,0,0,0|2,0,0]=4 281 B11R1.167 O=C(O)C1=C(F)C=CC(F)=C1 BB_SC-04573 [0,2,0,0,0,0|2,0,0]=4 282 B11R1.167 O=C(O)C1=C(O)C=CC(O)=C1 BB_NC-02255 [0,2,0,0,0,0|2,0,0]=4 283 B11R1.167 O=C(O)C1=CC(Br)=CC=C1O BB_SC-06654 [0,2,0,0,0,0|2,0,0]=4 284 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1Cl BB_SC-02559 [0,2,0,0,0,0|1,0,0]=3 285 B11R1.74 CC(=O)C1=CC(O)=CC(O)=C1 BB_SC-06878 [0,2,0,0,0,0|1,0,0]=3 286 B11R1.74 CC1=NC(O)=NC(C(=O)O)=C1 BB_SC-10583 [0,2,0,0,0,0|2,0,0]=4 287 B11R1.74 O=C(O)C1=CC(Cl)=CC(Cl)=C1 BB_SC-04570 [0,2,0,0,0,0|2,0,0]=4 288 B11R1.74 O=C(O)C1=CC(O)=CC(O)=C1 BB_NC-02257 [0,2,0,0,0,0|2,0,0]=4 289 B11R1.266 COC1=CC(C(C)=O)=CC=C1 BB_SC-06240 [0,2,0,0,0,0|1,0,0]=3 290 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 BB_SC-03750 [0,2,0,0,0,0|2,0,0]=4 291 B11R2.10 CC1=NC2=C(C=CC=C2)N1 BB_SC-06895 [0,0,0,1,0,1|2,0,0]=4 292 B11R2.10 O=C1CC2=C(C=CC=C2)N1 BB_SC-04787 [0,0,0,1,0,1|1,0,0]=3 293 B11R2.10 O=C1NC2=C(C=CC=C2)O1 BB_NC-02706 [0,0,0,1,0,1|2,0,0]=4 294 B11R2.10 O=C1NC2=C(N=CC=C2)N1 BB_SC-05250 [0,0,0,1,0,1|1,0,0]=3 295 B11R2.10 SC1=NC2=C(N=CC=C2)N1 BB_SC-10169 [0,0,0,1,0,1|1,1,0]=4 296 B11R2.1 NC1=NCC2=C1C=CC=C2 BB_SC-00005 [0,1,0,1,0,0|2,0,0]=4 297 B11R2.1 O=C1OCC2=C1C=CC=C2 BB_SC-05507 [0,1,0,1,0,0|1,0,0]=3 298 B7R1.1 CCC1=NC=CN1 BB_SC-07161 [1,0,0,0,1,0|1,0,1]=4 299 B7R1.1 COC1=NC=CS1 BB_SC-12407 [1,0,0,0,1,0|2,0,0]=4 300 B7R1.1 O=CC1=CC=CN1 BB_SC-04628 [1,0,0,0,1,0|0,0,1]=3 301 B7R1.1 O=CC1=CC=CS1 BB_SC-11213 [1,0,0,0,1,0|1,0,0]=3 302 B7R1.1 O=CC1=CNC=N1 BB_SC-12411 [1,0,0,0,1,0|1,0,0]=3 303 B7R1.1 O=CC1=CSC=C1 BB_SC-09203 [1,0,0,0,1,0|1,0,0]=3 304 B11R1.91 CC(=O)CCC1=CC=CC=C1 BB_SC-06936 [0,0,0,0,0,2|1,0,0]=3 305 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 BB_SC-12727 [0,0,0,0,0,2|1,0,0]=3 306 B11R1.91 NC(=O)NCC1=CC=CC=C1 BB_SC-06484 [0,0,0,0,0,2|2,0,0]=4 307 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 BB_SC-07201 [0,0,0,0,0,2|2,0,0]=4 308 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 BB_SC-06780 [0,0,0,0,0,2|2,0,0]=4 309 B11R1.91 O=C(O)C#CC1=CC=CC=C1 BB_SC-06586 [0,0,0,0,0,2|2,0,0]=4 310 B11R1.91 O=C(O)CCC1=CC=CC=C1 BB_NC-02055 [0,0,0,0,0,2|2,0,0]=4 311 B11R1.91 O=C(O)CNC1=CC=CC=C1 BB_NC-02642 [0,0,0,0,0,2|2,0,0]=4 312 B11R1.91 O=C(O)CNC1=NC=CC=N1 BB_NC-02112 [0,0,0,0,0,2|2,0,0]=4 313 B11R1.91 O=C(O)COC1=CC=CC=C1 BB_SC-06261 [0,0,0,0,0,2|2,0,0]=4 314 B11R1.91 O=C(O)CSC1=NC=CC=N1 BB_SC-06233 [0,0,0,0,0,2|2,0,0]=4 315 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BB_SC-12379 [0,0,0,0,0,2|2,0,0]=4