0 B11R1.40 COC(=O)CC1=CC=CC=C1 BB_SC-07169 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 BB_NC-02262 [0,0,0,0,0,0|0,0,0]=0 2 B11R1.40 N\C(CC1=CC=CC=C1)=N/O BB_SC-09060 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.40 O=C(CS)NC1=CC=CC=C1 BB_SC-00267 [0,0,0,0,0,0|2,1,1]=4 4 B10R1.17 ClC\C=C\C1=CC=CC=C1 BB_SC-06832 [1,0,0,0,0,0|1,0,1]=3 5 B10R1.17 N#C\C=C\C1=CC=CC=C1 BB_SC-12715 [1,0,0,0,0,0|1,0,1]=3 6 B10R1.17 OC\C=C\C1=CC=CC=C1 BB_NC-02246 [1,0,0,0,0,0|0,0,2]=3 7 B10R1.18 CC(=O)CC1=CC=CC=C1 BB_SC-09450 [1,0,0,0,0,0|0,0,1]=2 8 B10R1.18 CC(=O)NC1=CN=CC=C1 BB_SC-09458 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.18 N=C(N)CC1=CC=CC=C1 BB_SC-07552 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.18 NC(=S)NC1=CC=CC=C1 BB_SC-06692 [1,0,0,0,0,0|2,1,0]=4 11 B10R1.18 O=C(Cl)CC1=CC=CC=C1 BB_SC-06754 [1,0,0,0,0,0|1,0,1]=3 12 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BB_SC-06813 [1,0,0,0,0,0|2,0,0]=3 13 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl BB_SC-06940 [0,1,0,0,0,0|1,0,1]=3 14 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 BB_NC-02378 [0,1,0,0,0,0|1,0,2]=4 15 B12R1.118 CC\C(C=O)=C\C1=CC=CC=C1 BB_NC-00174 [0,1,0,0,0,0|0,0,0]=1 16 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O BB_NC-02184 [0,0,0,1,0,0|2,0,0]=3 17 B12R2.24 ClC1=CC2=C(C=C1)N=CC=C2 BB_SC-05493 [0,0,0,1,0,0|3,0,0]=4 18 B12R2.24 NC1=CC2=CC=CC=C2C=C1 BB_SC-06644 [0,0,0,1,0,0|2,0,0]=3 19 B12R2.24 NC1=CN=C2C=CC=CC2=C1 BB_SC-02703 [0,0,0,1,0,0|2,0,0]=3 20 B12R2.24 O=C1C=CC2=CC=CC=C2O1 BB_NC-00720 [0,0,0,1,0,0|3,0,0]=4 21 B12R2.24 OC1=CC2=NC=CC=C2C=C1 BB_SC-03058 [0,0,0,1,0,0|3,0,0]=4 22 B12R2.24 SC1=CC=C2C=CC=CC2=C1 BB_SC-06653 [0,0,0,1,0,0|2,0,0]=3 23 B12R2.24 SC1=CC=C2C=CC=CC2=N1 BB_SC-05471 [0,0,0,1,0,0|3,0,0]=4 24 B12R2.32 O=CC1=NC2=CC=CC=C2N1 BB_SC-10048 [0,0,0,1,0,0|2,0,0]=3 25 B10R1.15 CCC(=O)C1=CC=CC=C1 BB_SC-06910 [0,0,0,0,1,0|2,0,1]=4 26 B10R1.15 COC(=O)C1=CC=CC=C1 BB_SC-07167 [0,0,0,0,1,0|3,0,0]=4 27 B10R1.15 C\C(=N/O)C1=CN=CC=C1 BB_SC-12646 [0,0,0,0,1,0|2,0,1]=4 28 B10R1.15 NCC(=O)C1=CC=CC=C1 BB_NC-02945 [0,0,0,0,1,0|2,0,1]=4 29 B10R1.15 N\C(=N/O)C1=CC=CC=C1 BB_SC-12259 [0,0,0,0,1,0|2,0,1]=4 30 B9R1.8 CCNC1=CC=CC=C1 BB_SC-06979 [2,0,0,0,0,0|1,0,1]=4 31 B9R1.8 CNCC1=CC=CC=C1 BB_SC-06901 [2,0,0,0,0,0|1,0,1]=4 32 B9R1.8 COCC1=CC=CC=C1 BB_SC-07026 [2,0,0,0,0,0|1,0,1]=4 33 B9R1.8 O=C=NC1=CC=CC=C1 BB_SC-06970 [2,0,0,0,0,0|1,0,1]=4 34 B11R1.91 CC(=O)CCC1=CC=CC=C1 BB_SC-06936 [1,1,0,0,0,0|0,0,2]=4 35 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 BB_SC-12727 [1,1,0,0,0,0|0,0,0]=2 36 B11R1.91 NC(=O)NCC1=CC=CC=C1 BB_SC-06484 [1,1,0,0,0,0|1,0,1]=4 37 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 BB_SC-07201 [1,1,0,0,0,0|1,0,1]=4 38 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 BB_SC-06780 [1,1,0,0,0,0|0,0,0]=2 39 B11R1.91 O=C(O)C#CC1=CC=CC=C1 BB_SC-06586 [1,1,0,0,0,0|0,0,2]=4 40 B11R1.91 O=C(O)CCC1=CC=CC=C1 BB_NC-02055 [1,1,0,0,0,0|0,0,2]=4 41 B11R1.91 O=C(O)CNC1=CC=CC=C1 BB_NC-02642 [1,1,0,0,0,0|1,0,1]=4 42 B11R1.91 O=C(O)COC1=CC=CC=C1 BB_SC-06261 [1,1,0,0,0,0|1,0,1]=4 43 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BB_SC-12379 [1,1,0,0,0,0|0,0,0]=2 44 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 BB_SC-03070 [1,1,0,0,0,0|1,0,0]=3 45 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 BB_SC-07000 [1,1,0,0,0,0|1,0,0]=3 46 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 BB_SC-07122 [1,1,0,0,0,0|1,0,0]=3 47 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 BB_NC-02327 [1,1,0,0,0,0|1,0,1]=4 48 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 BB_NC-00007 [1,1,0,0,0,0|1,0,1]=4 49 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 BB_SC-07389 [1,1,0,0,0,0|1,0,1]=4 50 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 BB_NC-02267 [1,1,0,0,0,0|1,0,1]=4 51 B11R1.36 NC(C(=O)Cl)C1=CC=CC=C1 BB_NC-00460 [1,1,0,0,0,0|1,0,1]=4 52 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 BB_NC-00505 [1,1,0,0,0,0|1,0,1]=4 53 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 BB_NC-02227 [1,1,0,0,0,0|1,0,1]=4 54 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 BB_NC-02315 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.157 CC(=O)NC1=CC(N)=CC=C1 BB_SC-04170 [1,1,0,0,0,0|1,0,0]=3 56 B11R1.157 NC(=O)CC1=CC=CC(N)=C1 BB_SC-07736 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.157 NC(=O)NC1=CC=CC(O)=C1 BB_SC-05538 [1,1,0,0,0,0|2,0,0]=4 58 B13R1.42 C\C(=C/C#N)CCC1=CC=CC=C1 BB_SC-02601 [0,1,0,0,0,1|1,0,1]=4 59 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 BB_SC-05457 [0,2,0,0,0,0|2,0,0]=4 60 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 BB_SC-08421 [0,2,0,0,0,0|1,0,1]=4 61 B13R1.418 COC(CC1=CC=CC=C1)C(=O)O BB_NC-02866 [0,2,0,0,0,0|0,0,2]=4 62 B11R2.1 O=C1OCC2=C1C=CC=C2 BB_SC-05507 [1,0,0,1,0,0|1,0,1]=4 63 B11R2.20 C1=CC2=C(C=C1)N=CC=C2 BB_SC-06766 [1,0,0,1,0,0|1,0,0]=3 64 B11R2.20 C1=CC2=CC=NC=C2C=C1 BB_SC-06613 [1,0,0,1,0,0|2,0,0]=4 65 B11R2.20 C1=CC=C2N=CC=NC2=C1 BB_SC-07021 [1,0,0,1,0,0|2,0,0]=4 66 B11R2.10 CC1=NC2=C(C=CC=C2)N1 BB_SC-06895 [1,0,0,1,0,0|2,0,0]=4 67 B11R2.10 O=C1CC2=C(C=CC=C2)N1 BB_SC-04787 [1,0,0,1,0,0|1,0,0]=3 68 B11R2.10 O=C1NC2=C(C=CC=C2)O1 BB_NC-02706 [1,0,0,1,0,0|2,0,0]=4 69 B11R2.36 CC1=CC2=C(C=C1)NC=C2 BB_SC-01558 [0,0,0,1,1,0|2,0,0]=4 70 B13R2.32 NC1=C2C=CC=CC2=CC=C1O BB_SC-01424 [0,0,0,1,0,1|2,0,0]=4 71 B13R2.32 NN1C=NC2=CC=CC=C2C1=O BB_SC-11581 [0,0,0,1,0,1|2,0,0]=4 72 B13R2.32 O=C1C=CC2=C(C=CC=C2)C1=O BB_SC-00615 [0,0,0,1,0,1|1,0,0]=3 73 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 BB_NC-00823 [0,0,0,1,0,1|1,0,1]=4 74 B13R2.57 O=CC1=NC2=CC=CC=C2C=C1 BB_NC-01232 [0,0,0,1,0,1|1,0,0]=3 75 B13R2.57 O=CC1=NC2=CC=CC=C2N=C1 BB_SC-00694 [0,0,0,1,0,1|1,0,0]=3 76 B13R2.15 BrC1=CNN=C1C2=CC=CC=C2 BB_SC-11829 [0,1,0,1,0,0|2,0,0]=4 77 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)N1 BB_SC-00136 [0,1,0,1,0,0|1,0,0]=3 78 B13R2.135 O=CC1C(=O)NC2=CC=CC=C21 BB_NC-02881 [0,1,0,1,0,0|2,0,0]=4 79 B13R2.328 CC1=CC(O)=C2C=CC=CC2=N1 BB_SC-06490 [0,1,0,1,0,0|1,0,1]=4 80 B13R2.328 CC1=NC2=C(C=CC=C2)C(S)=C1 BB_SC-00265 [0,1,0,1,0,0|1,1,0]=4 81 B13R2.328 O=C1N=C(S)SC2=CC=CC=C12 BB_SC-09012 [0,1,0,1,0,0|2,0,0]=4 82 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 BB_NC-00461 [0,1,0,1,0,0|2,0,0]=4 83 B13R2.45 CN1C(C=O)=CC2=C1C=CC=C2 BB_SC-01977 [0,1,0,1,0,0|0,0,0]=2 84 B13R2.45 CN1C2=CC=CC=C2N=C1C=O BB_SC-11448 [0,1,0,1,0,0|1,0,0]=3 85 B13R2.3085 CN1C(=O)C(=O)C2=CC=CC=C21 BB_NC-02391 [0,1,0,1,0,0|2,0,0]=4 86 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1O BB_SC-06485 [0,1,0,1,0,0|2,0,0]=4 87 B13R2.369 CC1=NC2=CC=CC=C2N=C1Cl BB_SC-02518 [0,1,0,1,0,0|2,0,0]=4 88 B13R2.369 O=C1NC2=C(C=CC=C2)NC1=O BB_SC-01163 [0,1,0,1,0,0|2,0,0]=4 89 B13R2.423 CC(=O)C1CC1C2=CC=CC=C2 BB_SC-02661 [0,1,0,1,0,0|0,0,2]=4 90 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 BB_SC-02410 [0,1,0,1,0,0|0,0,2]=4 91 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)O1 BB_SC-05535 [0,1,0,1,0,0|1,0,0]=3 92 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 BB_NC-02586 [0,1,0,1,0,0|1,0,0]=3 93 B13R2.435 CC(=O)C1=NC2=CC=CC=C2N1 BB_SC-02119 [0,1,0,1,0,0|2,0,0]=4 94 B13R2.435 NC(=O)[C@@H]1CC2=CC=CC=C2N1 BB_SC-06060 [0,1,0,1,0,0|1,0,1]=4 95 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 BB_NC-02789 [0,1,0,1,0,0|1,0,0]=3 96 B13R2.435 O=C(O)C1=CC2=CC=CC=C2O1 BB_NC-01604 [0,1,0,1,0,0|1,0,0]=3 97 B13R2.435 O=C(O)[C@@H]1CC2=CC=CC=C2N1 BB_SC-04653 [0,1,0,1,0,0|1,0,1]=4 98 B13R2.43 O=CC1=CC2=CC(Br)=CC=C2N1 BB_NC-02405 [0,1,0,1,0,0|1,0,0]=3 99 B13R2.3028 CC1=CC=C2NC(=O)C(=O)C2=C1 BB_SC-01355 [0,1,0,1,0,0|2,0,0]=4 100 B13R2.3028 O=C1NC2=C(C=C(Br)C=C2)C1=O BB_SC-04830 [0,1,0,1,0,0|2,0,0]=4 101 B13R2.3028 O=C1NC2=C(C=C(F)C=C2)C1=O BB_SC-04829 [0,1,0,1,0,0|2,0,0]=4 102 B13R2.3028 O=C1NC2=CC=C(Cl)C=C2C1=O BB_SC-01565 [0,1,0,1,0,0|2,0,0]=4 103 B13R2.3683 CC1=NC2=CC=C(N)C=C2C=C1 BB_SC-09573 [0,1,0,1,0,0|2,0,0]=4 104 B13R2.162 CC1=CC=C2C=CC=C(N)C2=N1 BB_SC-05377 [0,1,0,1,0,0|2,0,0]=4 105 B13R2.162 CC1=CC=C2C=CC=C(O)C2=N1 BB_SC-06645 [0,1,0,1,0,0|2,0,0]=4 106 B13R2.162 OC1=CC2=C(C=CC=C2O)C=C1 BB_SC-06769 [0,1,0,1,0,0|2,0,0]=4 107 B13R2.4825 CC1=C2NC(=O)C(=O)C2=CC=C1 BB_SC-01564 [0,1,0,1,0,0|2,0,0]=4 108 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O BB_SC-05272 [0,1,0,1,0,0|2,0,0]=4 109 B9R1.12 O=C\C=C\C1=CC=CO1 BB_NC-00234 [1,0,0,0,1,0|1,0,0]=3 110 B9R1.6 CC(=O)C1=CC=CC=N1 BB_SC-06522 [1,0,0,0,1,0|1,0,0]=3 111 B9R1.6 CC(=O)C1=CC=NC=C1 BB_SC-12406 [1,0,0,0,1,0|1,0,0]=3 112 B9R1.6 CC(=O)C1=NC=CN=C1 BB_SC-12418 [1,0,0,0,1,0|2,0,0]=4 113 B9R1.6 CC(N)C1=CC=CC=C1 BB_SC-09414 [1,0,0,0,1,0|1,0,1]=4 114 B9R1.6 C[C@@H](N)C1=CC=CC=C1 BB_NC-02297 [1,0,0,0,1,0|1,0,1]=4 115 B9R1.6 C[C@H](N)C1=CC=CC=C1 BB_SC-10322 [1,0,0,0,1,0|1,0,1]=4 116 B9R1.6 N=C(N)C1=CC=CC=C1 BB_SC-07183 [1,0,0,0,1,0|2,0,0]=4 117 B9R1.6 NC(=O)C1=CC=CN=C1 BB_NC-02290 [1,0,0,0,1,0|2,0,0]=4 118 B9R1.6 NC(=O)C1=CC=NC=C1 BB_SC-06660 [1,0,0,0,1,0|2,0,0]=4 119 B9R1.6 O=C(Cl)C1=CN=CC=C1 BB_SC-06783 [1,0,0,0,1,0|2,0,0]=4 120 B9R1.6 O=C(O)C1=CC=CN=C1 BB_SC-12613 [1,0,0,0,1,0|2,0,0]=4 121 B9R1.6 O=C(O)C1=CC=NC=C1 BB_SC-07270 [1,0,0,0,1,0|2,0,0]=4 122 B9R1.6 O=C([O-])C1=NC=CC=C1 BB_SC-07257 [1,0,0,0,1,0|2,0,0]=4