0 B10R1.18 CC(=O)CC1=CC=CC=C1 BB_SC-09450 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.18 CC(=O)NC1=CN=CC=C1 BB_SC-09458 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.18 N=C(N)CC1=CC=CC=C1 BB_SC-07552 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.18 NC(=S)NC1=CC=CC=C1 BB_SC-06692 [0,0,0,0,0,0|2,1,0]=3 4 B10R1.18 O=C(Cl)CC1=CC=CC=C1 BB_SC-06754 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BB_SC-06813 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.8 BrCCC1=CC=CC=C1 BB_SC-06958 [1,0,0,0,0,0|1,0,1]=3 7 B9R1.8 CCNC1=CC=CC=C1 BB_SC-06979 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.8 CNCC1=CC=CC=C1 BB_SC-06901 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.8 CNCC1=CC=CC=N1 BB_SC-11116 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.8 COCC1=CC=CC=C1 BB_SC-07026 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.8 ClCCC1=CC=CC=C1 BB_SC-04527 [1,0,0,0,0,0|1,0,1]=3 12 B9R1.8 N#CCC1=NC=CC=C1 BB_SC-05130 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.8 NCCC1=CC=CC=C1 BB_SC-12701 [1,0,0,0,0,0|1,0,1]=3 14 B9R1.8 NNCC1=CC=CC=C1 BB_SC-06489 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.8 O=C=NC1=CC=CC=C1 BB_SC-06970 [1,0,0,0,0,0|1,0,1]=3 16 B9R1.8 OCCC1=CC=CC=C1 BB_NC-03339 [1,0,0,0,0,0|0,0,1]=2 17 B9R1.8 OCCC1=NC=CC=C1 BB_SC-11215 [1,0,0,0,0,0|1,0,1]=3 18 B9R1.8 S=C=NC1=CC=CC=C1 BB_SC-09412 [1,0,0,0,0,0|1,1,1]=4 19 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 BB_SC-07000 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 BB_SC-07122 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.20 CC1=CC=C(NC(=S)[S-])C=C1 BB_SC-09418 [0,1,0,0,0,0|1,2,0]=4 22 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 BB_NC-02327 [0,1,0,0,0,0|1,0,0]=2 23 B11R1.20 NC(=S)NC1=CC=C(O)C=C1 BB_SC-06050 [0,1,0,0,0,0|2,1,0]=4 24 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 BB_NC-00007 [0,1,0,0,0,0|0,0,0]=1 25 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 BB_SC-07389 [0,1,0,0,0,0|0,0,0]=1 26 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 BB_NC-02267 [0,1,0,0,0,0|0,0,0]=1 27 B11R1.36 NC(C(=O)Cl)C1=CC=CC=C1 BB_NC-00460 [0,1,0,0,0,0|1,0,0]=2 28 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 BB_NC-00505 [0,1,0,0,0,0|0,0,0]=1 29 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 BB_NC-02227 [0,1,0,0,0,0|0,0,0]=1 30 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 BB_NC-02315 [0,1,0,0,0,0|0,0,0]=1 31 B11R1.40 COC(=O)CC1=CC=CC=C1 BB_SC-07169 [0,1,0,0,0,0|0,0,0]=1 32 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 BB_NC-02262 [0,1,0,0,0,0|1,0,1]=3 33 B11R1.40 NCC(=O)NC1=CC=NC=C1 BB_SC-08973 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.40 NCC(=O)NC1=NC=CC=C1 BB_SC-08972 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.40 N\C(CC1=CC=CC=C1)=N/O BB_SC-09060 [0,1,0,0,0,0|1,0,0]=2 36 B11R1.40 O=C(CS)NC1=CC=CC=C1 BB_SC-00267 [0,1,0,0,0,0|1,1,0]=3 37 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 BB_SC-02103 [0,1,0,0,0,0|1,0,1]=3 38 B11R1.86 NC(=S)NC1=CC=CC=C1O BB_SC-05847 [0,1,0,0,0,0|2,1,0]=4 39 B11R1.86 O=C(O)CN1C=CC=CC1=O BB_NC-01632 [0,1,0,0,0,0|1,0,0]=2 40 B11R1.157 CC(=O)NC1=CC(N)=CC=C1 BB_SC-04170 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.157 NC(=O)CC1=CC=CC(N)=C1 BB_SC-07736 [0,1,0,0,0,0|1,0,0]=2 42 B11R1.157 NC(=O)NC1=CC=CC(O)=C1 BB_SC-05538 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 BB_SC-07028 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.509 O=S(=O)(Cl)CC1=CC=CC=C1 BB_SC-06603 [0,1,0,0,0,0|1,0,1]=3 45 B11R2.10 CC1=NC2=C(C=CC=C2)N1 BB_SC-06895 [0,0,0,1,0,0|3,0,0]=4 46 B11R2.10 ClC1=NC2=CC=CC=C2N1 BB_SC-01597 [0,0,0,1,0,0|3,0,0]=4 47 B11R2.10 NC1=NC2=C(C=CC=C2)S1 BB_SC-10670 [0,0,0,1,0,0|2,1,0]=4 48 B11R2.10 NC1=NC2=CC=CC=C2N1 BB_SC-03294 [0,0,0,1,0,0|3,0,0]=4 49 B11R2.10 O=C1CC2=C(C=CC=C2)N1 BB_SC-04787 [0,0,0,1,0,0|1,0,0]=2 50 B11R2.10 O=C1NC2=C(C=CC=C2)O1 BB_NC-02706 [0,0,0,1,0,0|1,0,0]=2 51 B11R2.10 O=C1NC2=C(N=CC=C2)N1 BB_SC-05250 [0,0,0,1,0,0|3,0,0]=4 52 B11R2.10 SC1=NC2=C(C=CC=C2)N1 BB_SC-06650 [0,0,0,1,0,0|2,1,0]=4 53 B11R2.10 SC1=NC2=C(C=CC=C2)O1 BB_SC-00261 [0,0,0,1,0,0|1,1,0]=3 54 B11R2.10 SC1=NC2=CC=CC=C2S1 BB_SC-05553 [0,0,0,1,0,0|1,2,0]=4 55 B9R1.6 CC(=O)C1=CC=CC=N1 BB_SC-06522 [0,0,0,0,1,0|2,0,0]=3 56 B9R1.6 CC(=O)C1=CC=NC=C1 BB_SC-12406 [0,0,0,0,1,0|2,0,0]=3 57 B9R1.6 CC(=O)C1=NC=CN=C1 BB_SC-12418 [0,0,0,0,1,0|3,0,0]=4 58 B9R1.6 CC(N)C1=CC=CC=C1 BB_SC-09414 [0,0,0,0,1,0|2,0,1]=4 59 B9R1.6 C[C@@H](N)C1=CC=CC=C1 BB_NC-02297 [0,0,0,0,1,0|2,0,1]=4 60 B9R1.6 C[C@H](N)C1=CC=CC=C1 BB_SC-10322 [0,0,0,0,1,0|2,0,1]=4 61 B9R1.6 N=C(N)C1=CC=CC=C1 BB_SC-07183 [0,0,0,0,1,0|2,0,0]=3 62 B9R1.6 N=C(N)C1=CC=CN=C1 BB_SC-07349 [0,0,0,0,1,0|3,0,0]=4 63 B9R1.6 NC(=O)C1=CC=CN=C1 BB_NC-02290 [0,0,0,0,1,0|2,0,0]=3 64 B9R1.6 NC(=O)C1=CC=NC=C1 BB_SC-06660 [0,0,0,0,1,0|2,0,0]=3 65 B9R1.6 NC(=O)C1=CN=CC=N1 BB_SC-01250 [0,0,0,0,1,0|3,0,0]=4 66 B9R1.6 NC(=S)C1=CN=CC=C1 BB_SC-05504 [0,0,0,0,1,0|2,1,0]=4 67 B9R1.6 O=C(Cl)C1=CN=CC=C1 BB_SC-06783 [0,0,0,0,1,0|2,0,0]=3 68 B9R1.6 O=C(O)C1=CC=CN=C1 BB_SC-12613 [0,0,0,0,1,0|1,0,0]=2 69 B9R1.6 O=C(O)C1=CC=NC=C1 BB_SC-07270 [0,0,0,0,1,0|1,0,0]=2 70 B9R1.6 O=C(O)C1=CN=CC=N1 BB_SC-05383 [0,0,0,0,1,0|2,0,0]=3 71 B9R1.6 O=C([O-])C1=NC=CC=C1 BB_SC-07257 [0,0,0,0,1,0|1,0,1]=3 72 B9R1.13 O=C(Cl)CC1=CC=CS1 BB_SC-04631 [0,0,0,0,1,0|2,0,0]=3 73 B9R1.13 O=C(O)CC1=CSC=C1 BB_SC-11479 [0,0,0,0,1,0|1,0,0]=2 74 B9R1.13 O=C(O)CN1C=CC=N1 BB_SC-05012 [0,0,0,0,1,0|2,0,0]=3 75 B9R1.13 O=C(O)CN1C=CN=C1 BB_SC-08405 [0,0,0,0,1,0|2,0,0]=3 76 B11R1.91 CC(=O)CCC1=CC=CC=C1 BB_SC-06936 [0,0,0,0,0,1|1,0,0]=2 77 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 BB_SC-12727 [0,0,0,0,0,1|1,0,1]=3 78 B11R1.91 CC(N)CCC1=CC=CC=C1 BB_NC-02304 [0,0,0,0,0,1|2,0,1]=4 79 B11R1.91 CC(O)C#CC1=CC=CC=C1 BB_SC-02013 [0,0,0,0,0,1|1,0,2]=4 80 B11R1.91 NC(=O)NCC1=CC=CC=C1 BB_SC-06484 [0,0,0,0,0,1|1,0,0]=2 81 B11R1.91 NC(=S)NNC1=CC=CC=C1 BB_SC-06579 [0,0,0,0,0,1|2,1,0]=4 82 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 BB_SC-07201 [0,0,0,0,0,1|1,0,0]=2 83 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 BB_SC-06780 [0,0,0,0,0,1|1,0,1]=3 84 B11R1.91 O=C(O)C#CC1=CC=CC=C1 BB_SC-06586 [0,0,0,0,0,1|0,0,1]=2 85 B11R1.91 O=C(O)CCC1=CC=CC=C1 BB_NC-02055 [0,0,0,0,0,1|0,0,0]=1 86 B11R1.91 O=C(O)CNC1=CC=CC=C1 BB_NC-02642 [0,0,0,0,0,1|0,0,0]=1 87 B11R1.91 O=C(O)CNC1=NC=CC=N1 BB_NC-02112 [0,0,0,0,0,1|2,0,0]=3 88 B11R1.91 O=C(O)COC1=CC=CC=C1 BB_SC-06261 [0,0,0,0,0,1|0,0,0]=1 89 B11R1.91 O=C(O)COC1=CC=CN=C1 BB_SC-06065 [0,0,0,0,0,1|1,0,0]=2 90 B11R1.91 O=C(O)CSC1=NC=CC=N1 BB_SC-06233 [0,0,0,0,0,1|2,0,0]=3 91 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BB_SC-12379 [0,0,0,0,0,1|0,0,1]=2 92 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 BB_SC-03070 [0,0,0,0,0,1|1,0,1]=3 93 B8R1.2 C=CC1=CC=CC=N1 BB_SC-05428 [2,0,0,0,0,0|1,0,1]=4 94 B8R1.2 C=CC1=CC=NC=C1 BB_SC-05441 [2,0,0,0,0,0|1,0,1]=4 95 B8R1.2 ClCC1=CC=CC=N1 BB_SC-02985 [2,0,0,0,0,0|2,0,0]=4 96 B8R1.2 ClCC1=CC=CN=C1 BB_SC-03000 [2,0,0,0,0,0|2,0,0]=4 97 B8R1.2 ClCC1=CC=NC=C1 BB_SC-02999 [2,0,0,0,0,0|2,0,0]=4 98 B8R1.2 NCC1=CC=CC=N1 BB_SC-05841 [2,0,0,0,0,0|2,0,0]=4 99 B8R1.2 NCC1=CN=CC=C1 BB_SC-12559 [2,0,0,0,0,0|2,0,0]=4 100 B8R1.2 NNC1=CC=CC=C1 BB_SC-06741 [2,0,0,0,0,0|2,0,0]=4 101 B8R1.2 O=CC1=CC=CC=N1 BB_SC-07272 [2,0,0,0,0,0|1,0,0]=3 102 B8R1.2 O=CC1=CC=NC=C1 BB_SC-06717 [2,0,0,0,0,0|1,0,0]=3 103 B8R1.2 O=CC1=CN=CC=C1 BB_SC-11212 [2,0,0,0,0,0|1,0,0]=3 104 B8R1.2 OCC1=CC=CC=C1 BB_SC-07027 [2,0,0,0,0,0|0,0,0]=2 105 B10R1.1 NC1=CC=C(CCO)C=C1 BB_SC-12672 [1,1,0,0,0,0|0,0,1]=3 106 B10R1.1 NCCC1=CC=C(F)C=C1 BB_SC-03162 [1,1,0,0,0,0|1,0,1]=4 107 B10R1.1 NCCC1=CC=C(O)C=C1 BB_NC-01362 [1,1,0,0,0,0|1,0,1]=4 108 B10R1.1 O=C=NC1=CC=C(Cl)C=C1 BB_SC-06546 [1,1,0,0,0,0|1,0,1]=4 109 B10R1.4 C=CCC1=CC=CC=C1O BB_SC-01155 [1,1,0,0,0,0|1,0,0]=3 110 B10R1.4 O\N=C\C1=CC=CC=C1O BB_SC-05445 [1,1,0,0,0,0|1,0,1]=4 111 B10R1.10 CNCC1=CC(N)=CC=C1 BB_SC-08896 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.10 NCCC1=CC(F)=CC=C1 BB_SC-08693 [1,1,0,0,0,0|1,0,1]=4 113 B10R1.10 O=C=NC1=CC(Cl)=CC=C1 BB_SC-06830 [1,1,0,0,0,0|1,0,1]=4 114 B10R1.15 N\C(=N/O)C1=CC=CC=C1 BB_SC-12259 [1,1,0,0,0,0|1,0,1]=4 115 B10R1.17 BrCCCC1=CC=CC=C1 BB_SC-06825 [1,1,0,0,0,0|1,0,1]=4 116 B10R1.17 CCCNC1=CC=CC=C1 BB_SC-00067 [1,1,0,0,0,0|1,0,1]=4 117 B10R1.17 CCNCC1=CC=CC=C1 BB_SC-07011 [1,1,0,0,0,0|1,0,1]=4 118 B10R1.17 ClC\C=C\C1=CC=CC=C1 BB_SC-06832 [1,1,0,0,0,0|1,0,1]=4 119 B10R1.17 N#C\C=C\C1=CC=CC=C1 BB_SC-12715 [1,1,0,0,0,0|1,0,1]=4 120 B10R1.17 NCCCC1=CC=CC=C1 BB_NC-02053 [1,1,0,0,0,0|1,0,1]=4 121 B10R1.17 NCCOC1=CC=CC=C1 BB_SC-07340 [1,1,0,0,0,0|1,0,1]=4 122 B10R1.17 NCCSC1=CC=CC=C1 BB_SC-08556 [1,1,0,0,0,0|1,0,1]=4 123 B10R1.17 OCC#CC1=CC=CC=C1 BB_SC-02014 [1,1,0,0,0,0|0,0,2]=4 124 B10R1.17 OCCNC1=CC=CC=C1 BB_SC-07138 [1,1,0,0,0,0|0,0,1]=3 125 B10R1.17 OCCOC1=CC=CC=C1 BB_SC-02741 [1,1,0,0,0,0|0,0,1]=3 126 B10R1.17 OC\C=C\C1=CC=CC=C1 BB_NC-02246 [1,1,0,0,0,0|0,0,1]=3 127 B10R1.17 S=C=NCC1=CC=CC=C1 BB_SC-06549 [1,1,0,0,0,0|0,1,1]=4 128 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 BB_SC-06664 [0,1,0,0,1,0|1,0,0]=3 129 B10R1.13 CC(=O)C1=CC=C(C)C=C1 BB_SC-06635 [0,1,0,0,1,0|1,0,0]=3 130 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 BB_SC-06734 [0,1,0,0,1,0|1,0,0]=3 131 B10R1.13 CC(=O)C1=CC=C(I)C=C1 BB_SC-08802 [0,1,0,0,1,0|1,0,0]=3 132 B10R1.13 CC(=O)C1=CC=C(N)C=C1 BB_SC-10671 [0,1,0,0,1,0|1,0,0]=3 133 B10R1.13 CC(=O)C1=CC=C(O)C=C1 BB_SC-06720 [0,1,0,0,1,0|1,0,0]=3 134 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 BB_SC-06932 [0,1,0,0,1,0|1,0,0]=3 135 B10R1.13 N=C(N)C1=CC=C(N)C=C1 BB_SC-07955 [0,1,0,0,1,0|2,0,0]=4 136 B10R1.13 NC(=O)C1=CC=C(N)C=C1 BB_SC-05091 [0,1,0,0,1,0|1,0,0]=3 137 B10R1.13 NC(=S)C1=CC=C(O)C=C1 BB_SC-03474 [0,1,0,0,1,0|1,1,0]=4 138 B10R1.13 NC1=CC=C(C(=O)O)C=N1 BB_SC-05191 [0,1,0,0,1,0|1,0,0]=3 139 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 BB_SC-06735 [0,1,0,0,1,0|1,0,0]=3 140 B10R1.13 O=C(O)C1=CC=C(F)C=C1 BB_SC-06507 [0,1,0,0,1,0|0,0,0]=2 141 B10R1.13 O=C(O)C1=CC=C(O)C=C1 BB_NC-02308 [0,1,0,0,1,0|0,0,0]=2 142 B10R1.13 O=C(O)C1=CC=[N+]([O-])C=C1 BB_SC-12681 [0,1,0,0,1,0|1,0,0]=3 143 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 BB_SC-03259 [0,1,0,0,1,0|1,0,0]=3 144 B10R1.13 O=C1C=CC(C(=O)O)=CN1 BB_NC-01873 [0,1,0,0,1,0|1,0,0]=3 145 B10R1.13 O=C1C=CC(C(=O)O)=CO1 BB_NC-02200 [0,1,0,0,1,0|1,0,0]=3 146 B10R1.13 O=C1C=CC(C(=O)O)=NN1 BB_SC-03396 [0,1,0,0,1,0|2,0,0]=4 147 B10R1.13 O=[N+]([O-])C1=CC=C(Br)C=C1 BB_SC-06256 [0,1,0,0,1,0|1,0,1]=4 148 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=C1 BB_SC-07099 [0,1,0,0,1,0|1,0,1]=4 149 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 BB_SC-05141 [0,1,0,0,1,0|1,0,1]=4 150 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 BB_SC-07030 [0,1,0,0,1,0|1,0,1]=4 151 B10R1.61 CC(=O)C1=C(C)C=CC=C1 BB_SC-06871 [0,1,0,0,1,0|1,0,0]=3 152 B10R1.61 CC(=O)C1=C(O)C=CC=C1 BB_SC-06782 [0,1,0,0,1,0|1,0,0]=3 153 B10R1.61 CC(=O)C1=CC=CC=C1N BB_SC-09205 [0,1,0,0,1,0|1,0,0]=3 154 B10R1.61 CC1=C(C(=O)Cl)C=CC=C1 BB_SC-06956 [0,1,0,0,1,0|1,0,0]=3 155 B10R1.61 NC(=O)C1=C(O)C=CC=C1 BB_SC-00234 [0,1,0,0,1,0|1,0,0]=3 156 B10R1.61 NC(=O)C1=C(O)C=CC=N1 BB_SC-05523 [0,1,0,0,1,0|2,0,0]=4 157 B10R1.61 NC1=C(C(=O)O)C=CC=N1 BB_SC-03260 [0,1,0,0,1,0|1,0,0]=3 158 B10R1.61 NC1=C(C(=O)O)C=NC=N1 BB_NC-02406 [0,1,0,0,1,0|2,0,0]=4 159 B10R1.61 NC1=CC=CC=C1C(=O)O BB_NC-02812 [0,1,0,0,1,0|0,0,0]=2 160 B10R1.61 NC1=CC=CC=C1[N+](=O)[O-] BB_SC-10672 [0,1,0,0,1,0|1,0,1]=4 161 B10R1.61 O=C(Cl)C1=C(Cl)C=CC=C1 BB_SC-06826 [0,1,0,0,1,0|1,0,0]=3 162 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 BB_SC-06990 [0,1,0,0,1,0|1,0,0]=3 163 B10R1.61 O=C(Cl)C1=CC=CN=C1Cl BB_SC-08695 [0,1,0,0,1,0|2,0,0]=4 164 B10R1.61 O=C(O)C1=C(I)C=CC=C1 BB_SC-06764 [0,1,0,0,1,0|0,0,0]=2 165 B10R1.61 O=C(O)C1=CC=CC=C1F BB_SC-09447 [0,1,0,0,1,0|0,0,0]=2 166 B10R1.61 O=C(O)C1=CC=CN=C1Cl BB_SC-05455 [0,1,0,0,1,0|1,0,0]=3 167 B10R1.61 O=C(O)C1=CC=CN=C1S BB_SC-06564 [0,1,0,0,1,0|1,0,0]=3 168 B10R1.61 O=C(O)C1=CC=CNC1=O BB_NC-02163 [0,1,0,0,1,0|1,0,0]=3 169 B10R1.113 CC(=O)C1=CC(O)=CC=C1 BB_SC-07222 [0,1,0,0,1,0|1,0,0]=3 170 B10R1.113 CC(=O)C1=CC=CC(N)=C1 BB_SC-10669 [0,1,0,0,1,0|1,0,0]=3 171 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 BB_SC-09887 [0,1,0,0,1,0|2,0,0]=4 172 B10R1.113 NC(=O)C1=CC=CC(N)=C1 BB_SC-07456 [0,1,0,0,1,0|1,0,0]=3 173 B10R1.113 NC(=O)C1=NC(Cl)=CC=C1 BB_SC-06272 [0,1,0,0,1,0|2,0,0]=4 174 B10R1.113 NC1=CC(C(=O)O)=CN=C1 BB_SC-04954 [0,1,0,0,1,0|1,0,0]=3 175 B10R1.113 NC1=CC=CC(C(=O)O)=C1 BB_SC-12388 [0,1,0,0,1,0|0,0,0]=2 176 B10R1.113 NC1=NC=CC(C(=O)O)=C1 BB_SC-05192 [0,1,0,0,1,0|1,0,0]=3 177 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 BB_SC-03258 [0,1,0,0,1,0|1,0,0]=3 178 B10R1.113 O=C(O)C1=CC(Cl)=CC=N1 BB_SC-02566 [0,1,0,0,1,0|1,0,0]=3 179 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 BB_SC-04632 [0,1,0,0,1,0|1,0,0]=3 180 B10R1.113 O=C(O)C1=CC(O)=CN=C1 BB_NC-01971 [0,1,0,0,1,0|1,0,0]=3 181 B10R1.113 O=C(O)C1=CC=CC(O)=C1 BB_SC-06483 [0,1,0,0,1,0|0,0,0]=2 182 B10R1.113 O=C(O)C1=C[N+]([O-])=CC=C1 BB_SC-06795 [0,1,0,0,1,0|1,0,0]=3 183 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 BB_SC-03441 [0,1,0,0,1,0|1,0,0]=3 184 B10R1.113 O=C(O)C1=NC(O)=CC=C1 BB_SC-04741 [0,1,0,0,1,0|1,0,0]=3 185 B10R1.23 C[C@@H](C(=O)O)N1C=CC=C1 BB_NC-03174 [0,1,0,0,1,0|1,0,0]=3 186 B10R1.27 COC(=O)CN1C=CC=N1 BB_SC-10055 [0,1,0,0,1,0|2,0,0]=4 187 B10R1.27 COC(=O)CN1C=CN=C1 BB_SC-10258 [0,1,0,0,1,0|2,0,0]=4 188 B10R1.54 CC1=CN(CC(=O)O)N=C1 BB_SC-03787 [0,1,0,0,1,0|2,0,0]=4 189 B10R1.54 CC1=NC(CC(=O)O)=CS1 BB_SC-04496 [0,1,0,0,1,0|2,0,0]=4 190 B10R1.54 CC1=NN(CC(=O)O)C=C1 BB_SC-06193 [0,1,0,0,1,0|2,0,0]=4 191 B10R1.54 NC1=NC(CC(=O)O)=CS1 BB_SC-04060 [0,1,0,0,1,0|2,0,0]=4 192 B10R1.54 O=C(O)CC1=CC(=O)NN1 BB_SC-11830 [0,1,0,0,1,0|2,0,0]=4 193 B10R1.54 O=C(O)CN1C=C(Br)C=N1 BB_SC-08869 [0,1,0,0,1,0|2,0,0]=4 194 B10R1.54 O=C(O)CN1C=C(I)C=N1 BB_SC-12419 [0,1,0,0,1,0|2,0,0]=4 195 B10R1.64 CC1=CC=NN1CC(=O)O BB_SC-06372 [0,1,0,0,1,0|2,0,0]=4 196 B10R1.64 CC1=NC=CN1CC(=O)O BB_SC-05929 [0,1,0,0,1,0|2,0,0]=4 197 B10R1.64 N=C1SC=CN1CC(=O)O BB_SC-05170 [0,1,0,0,1,0|2,0,0]=4 198 B10R1.64 O=C(O)CC1=CNN=C1O BB_SC-10291 [0,1,0,0,1,0|2,0,0]=4 199 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 BB_NC-00186 [0,1,0,0,0,1|1,0,0]=3 200 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 BB_SC-00478 [0,1,0,0,0,1|1,0,1]=4 201 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 BB_SC-07359 [0,1,0,0,0,1|1,0,0]=3 202 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB_NC-02824 [0,1,0,0,0,1|0,0,0]=2 203 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 BB_SC-01486 [0,1,0,0,0,1|0,0,0]=2 204 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 BB_NC-00339 [0,1,0,0,0,1|0,0,0]=2 205 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 BB_NC-02990 [0,1,0,0,0,1|0,0,0]=2 206 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 BB_NC-02249 [0,1,0,0,0,1|0,0,1]=3 207 B12R1.27 COC(=O)CNC1=CC=CC=C1 BB_SC-11680 [0,1,0,0,0,1|0,0,0]=2 208 B12R1.27 N\C(COC1=CC=CC=C1)=N/O BB_SC-09055 [0,1,0,0,0,1|1,0,0]=3 209 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl BB_SC-06940 [0,1,0,0,0,1|1,0,0]=3 210 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 BB_NC-02378 [0,1,0,0,0,1|1,0,0]=3 211 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O BB_NC-03303 [0,1,0,0,0,1|1,0,0]=3 212 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 BB_SC-00115 [0,1,0,0,0,1|1,0,0]=3 213 B12R1.107 CC(=O)CC(O)C1=NC=CC=C1 BB_NC-00092 [0,1,0,0,0,1|2,0,0]=4 214 B12R1.107 CN(CC(=O)O)C1=NC=CC=N1 BB_SC-11402 [0,1,0,0,0,1|2,0,0]=4 215 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 BB_NC-02136 [0,1,0,0,0,1|0,0,0]=2 216 B12R1.125 NC(=S)NCC1=C(Cl)C=CC=C1 BB_SC-07669 [0,1,0,0,0,1|1,1,0]=4 217 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 BB_SC-09488 [0,1,0,0,0,1|0,0,0]=2 218 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 BB_SC-07353 [0,1,0,0,0,1|0,0,0]=2 219 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 BB_SC-08039 [0,1,0,0,0,1|0,0,0]=2 220 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 BB_NC-02272 [0,1,0,0,0,1|0,0,1]=3 221 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 BB_SC-03069 [0,1,0,0,0,1|0,0,0]=2 222 B12R1.226 NC1=CC=CC(CCC(=O)[O-])=C1 BB_SC-11395 [0,1,0,0,0,1|0,0,1]=3 223 B12R1.226 NC1=CC=CC(OCC(=O)O)=C1 BB_SC-07541 [0,1,0,0,0,1|0,0,0]=2 224 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 BB_NC-02248 [0,1,0,0,0,1|0,0,1]=3 225 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 BB_SC-01598 [0,2,0,0,0,0|0,0,0]=2 226 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 BB_NC-02170 [0,2,0,0,0,0|1,0,0]=3 227 B12R1.4 COC1=CC=C(NC(N)=O)C=C1 BB_SC-06690 [0,2,0,0,0,0|2,0,0]=4 228 B12R1.20 NC(=O)[C@H](N)C1=CC=C(O)C=C1 BB_SC-09536 [0,2,0,0,0,0|1,0,0]=3 229 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 BB_NC-02014 [0,2,0,0,0,0|0,0,0]=2 230 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 BB_SC-08128 [0,2,0,0,0,0|1,0,0]=3 231 B12R1.49 N\C(CC1=CC=C(Cl)C=C1)=N/O BB_SC-09061 [0,2,0,0,0,0|1,0,0]=3 232 B12R1.233 CC1=NC(O)=C(CC(=O)O)C=N1 BB_SC-10433 [0,2,0,0,0,0|2,0,0]=4 233 B12R1.233 NC1=NC=C(CC(=O)O)C(O)=N1 BB_NC-01975 [0,2,0,0,0,0|2,0,0]=4 234 B12R1.233 O=C(O)CN1C=CC(=O)NC1=O BB_NC-02533 [0,2,0,0,0,0|2,0,0]=4 235 B12R1.34 CN(C(=O)CN)C1=CC=CC=C1 BB_SC-08299 [0,2,0,0,0,0|2,0,0]=4 236 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 BB_NC-02307 [0,2,0,0,0,0|0,0,0]=2 237 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 BB_NC-02198 [0,2,0,0,0,0|0,0,0]=2 238 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 BB_NC-02022 [0,2,0,0,0,0|0,0,0]=2 239 B12R1.32 CCOC(=O)NC1=CC=CC=C1 BB_SC-06698 [0,2,0,0,0,0|1,0,0]=3 240 B12R1.32 NCCC(=O)NC1=CC=CC=C1 BB_SC-08136 [0,2,0,0,0,0|2,0,0]=4 241 B12R1.50 CNC(=O)CC1=CC=CC(N)=C1 BB_SC-07737 [0,2,0,0,0,0|1,0,0]=3 242 B12R1.50 NCC(=O)NC1=CC=CC(Cl)=C1 BB_SC-08223 [0,2,0,0,0,0|2,0,0]=4 243 B12R1.118 CC\C(C=O)=C\C1=CC=CC=C1 BB_NC-00174 [0,2,0,0,0,0|1,0,1]=4 244 B12R1.118 COC(CC1=CC=CC=C1)OC BB_SC-07095 [0,2,0,0,0,0|0,0,2]=4 245 B12R1.371 NCC(=O)NC1=CC=CC=C1Cl BB_SC-08656 [0,2,0,0,0,0|2,0,0]=4 246 B12R1.75 COC1=CC=CC=C1CC(C)=O BB_NC-02173 [0,2,0,0,0,0|1,0,0]=3 247 B12R1.127 CC(=O)NC1=CC(N)=CC=C1Cl BB_SC-10102 [0,2,0,0,0,0|2,0,0]=4 248 B12R1.127 CC(=O)NC1=CC(N)=CC=C1O BB_SC-11171 [0,2,0,0,0,0|2,0,0]=4 249 B12R1.127 O=C(O)CN1N=C(Cl)C=CC1=O BB_SC-09947 [0,2,0,0,0,0|2,0,0]=4 250 B12R1.127 O=C(O)CN1NC(=O)C=CC1=O BB_SC-05150 [0,2,0,0,0,0|2,0,0]=4 251 B12R1.101 O=C(O)CC1=CC(F)=CC(F)=C1 BB_SC-04131 [0,2,0,0,0,0|0,0,0]=2 252 B10R1.66 O=C(O)CCC1=CC=CO1 BB_NC-00342 [0,0,1,1,0,0|1,0,1]=4 253 B10R1.66 O=C(O)CCN1C=CC=C1 BB_SC-12059 [0,0,1,1,0,0|1,0,1]=4 254 B10R1.66 O=C(O)\C=C\C1=CC=CO1 BB_NC-00354 [0,0,1,1,0,0|1,0,1]=4 255 B10R2.6 C1=CC=C(C2CO2)C=C1 BB_NC-02270 [1,0,0,1,0,0|0,0,1]=3 256 B10R2.7 C1=CC2=C(C=C1)NC=C2 BB_NC-02223 [1,0,0,1,0,0|1,0,1]=4 257 B10R2.7 C1=CC2=C(C=C1)NCC2 BB_SC-00077 [1,0,0,1,0,0|1,0,1]=4 258 B12R2.24 NC1=NC2=CC=CC=C2SC1 BB_SC-09491 [0,0,0,1,0,1|2,0,0]=4 259 B12R2.24 O=C1C=CC2=CC=CC=C2O1 BB_NC-00720 [0,0,0,1,0,1|0,0,1]=3 260 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 BB_NC-00768 [0,0,0,1,0,1|0,0,0]=2 261 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 BB_SC-11998 [0,0,0,1,0,1|1,0,0]=3 262 B12R2.2057 C1=CC=C(OCC2CO2)C=C1 BB_SC-05555 [0,0,0,1,0,1|1,0,1]=4 263 B12R2.606 NC1=CC=C2NC(=O)NC2=C1 BB_SC-11241 [0,1,0,1,0,0|2,0,0]=4 264 B12R2.606 O=C1CC2=CC(Cl)=CC=C2N1 BB_SC-04983 [0,1,0,1,0,0|1,0,0]=3 265 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 BB_SC-05274 [0,1,0,1,0,0|1,0,0]=3 266 B12R2.606 O=C1CC2=CC=C(Cl)C=C2N1 BB_SC-01605 [0,1,0,1,0,0|1,0,0]=3 267 B12R2.606 O=C1OC2=C(C=CC(O)=C2)S1 BB_SC-09910 [0,1,0,1,0,0|1,0,0]=3 268 B12R2.606 O=C1OC2=CC=C(O)C=C2S1 BB_SC-05336 [0,1,0,1,0,0|1,0,0]=3 269 B12R2.18 NC1C(=O)NC2=CC=CC=C21 BB_NC-02047 [0,1,0,1,0,0|1,0,0]=3 270 B12R2.18 NC1C(=O)NC2=CC=CC=C21 BB_NC-02935 [0,1,0,1,0,0|1,0,0]=3 271 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O BB_NC-02184 [0,1,0,1,0,0|1,0,1]=4 272 B12R2.27 OCC1CC1C2=CC=CC=C2 BB_SC-12728 [0,1,0,1,0,0|1,0,1]=4 273 B12R2.32 NCC1CC2=CC=CC=C2O1 BB_SC-03440 [0,1,0,1,0,0|1,0,1]=4 274 B12R2.32 O=CC1=NC2=CC=CC=C2N1 BB_SC-10048 [0,1,0,1,0,0|2,0,0]=4 275 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 BB_SC-02634 [0,1,0,1,0,0|2,0,0]=4 276 B12R2.32 OCC1CC2=CC=CC=C2O1 BB_SC-02420 [0,1,0,1,0,0|0,0,2]=4 277 B8R1.7 CC(=O)C1=CC=CN1 BB_SC-04064 [0,0,0,0,2,0|2,0,0]=4 278 B8R1.7 CC(=O)C1=CC=CO1 BB_SC-06820 [0,0,0,0,2,0|2,0,0]=4 279 B8R1.7 CC(=O)C1=CSC=C1 BB_SC-04782 [0,0,0,0,2,0|2,0,0]=4 280 B8R1.7 O=C(Cl)C1=CC=CS1 BB_SC-06755 [0,0,0,0,2,0|2,0,0]=4 281 B8R1.7 O=C(O)C1=CC=CN1 BB_SC-10428 [0,0,0,0,2,0|1,0,0]=3 282 B8R1.7 O=C(O)C1=CC=CO1 BB_SC-06491 [0,0,0,0,2,0|1,0,0]=3 283 B8R1.7 O=C(O)C1=CSC=C1 BB_SC-09202 [0,0,0,0,2,0|1,0,0]=3 284 B8R1.7 O=C(O)C1=NNC=C1 BB_SC-00195 [0,0,0,0,2,0|2,0,0]=4 285 B12R1.252 O=C(O)CCNC1=NC=CC=N1 BB_NC-02113 [0,0,0,0,0,2|2,0,0]=4 286 B12R1.252 O=C(O)CSCC1=CC=CC=C1 BB_SC-06655 [0,0,0,0,0,2|0,0,0]=2 287 B12R1.252 O=C([O-])\C=C\SC1=CC=CC=C1 BB_SC-00301 [0,0,0,0,0,2|0,0,2]=4