0 B10R1.18 CC(=O)NC1=CN=CC=C1 PHBB_SC-09615 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.18 N=C(N)CC1=CC=CC=C1 PHBB_SC-08622 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.18 NC(=S)NC1=CC=CC=C1 PHBB_SC-04815 [0,0,0,0,0,0|2,1,0]=3 3 B10R1.18 O=C(Cl)CC1=CC=CC=C1 PHBB_SC-04855 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.18 O=C(Cl)OC1=CC=CC=C1 PHBB_SC-04902 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.8 BrCCC1=CC=CC=C1 PHBB_SC-05006 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.8 CCNC1=CC=CC=C1 PHBB_SC-05020 [1,0,0,0,0,0|1,0,1]=3 7 B9R1.8 CNCC1=CC=CC=C1 PHBB_SC-04966 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.8 CNCC1=CC=CC=N1 PHBB_SC-10921 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.8 COCC1=CC=CC=C1 PHBB_SC-05053 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.8 ClCCC1=CC=CC=C1 PHBB_SC-03435 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.8 NNCC1=CC=CC=C1 PHBB_SC-04682 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.8 O=C=NC1=CC=CC=C1 PHBB_SC-05015 [1,0,0,0,0,0|1,0,1]=3 13 B9R1.8 S=C=NC1=CC=CC=C1 PHBB_SC-06210 [1,0,0,0,0,0|1,1,1]=4 14 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 PHBB_SC-11299 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 PHBB_SC-08449 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.20 CC(C)OC1=CC=C(N)C=C1 PHBB_SC-10400 [0,1,0,0,0,0|1,0,1]=3 17 B11R1.20 CC1=CC=C(NC(=S)[S-])C=C1 PHBB_SC-09592 [0,1,0,0,0,0|2,1,0]=4 18 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 PHBB_NC-02045 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.20 NC(=S)NC1=CC=C(O)C=C1 PHBB_SC-08163 [0,1,0,0,0,0|2,1,0]=4 20 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 PHBB_NC-02220 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 PHBB_SC-05295 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 PHBB_NC-03010 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.36 NC(C(=O)Cl)C1=CC=CC=C1 PHBB_NC-00237 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 PHBB_NC-03684 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 PHBB_NC-02998 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 PHBB_NC-03020 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.40 COC(=O)CC1=CC=CC=C1 PHBB_SC-08463 [0,1,0,0,0,0|1,0,0]=2 28 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 PHBB_NC-02003 [0,1,0,0,0,0|1,0,0]=2 29 B11R1.40 NCC(=O)NC1=CC=NC=C1 PHBB_SC-06018 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.40 NCC(=O)NC1=NC=CC=C1 PHBB_SC-06017 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.40 N\C(CC1=CC=CC=C1)=N/O PHBB_SC-06055 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.40 O=C(CS)NC1=CC=CC=C1 PHBB_SC-00200 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 PHBB_SC-01477 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.86 NC(=S)NC1=CC=CC=C1O PHBB_SC-04233 [0,1,0,0,0,0|2,1,0]=4 35 B11R1.86 NC1=CC=CC=C1OC(F)F PHBB_SC-01323 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.86 O=C(O)CN1C=CC=CC1=O PHBB_NC-01486 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.157 CC(=O)NC1=CC(N)=CC=C1 PHBB_SC-03037 [0,1,0,0,0,0|1,0,0]=2 38 B11R1.157 CC(=O)NC1=NC(Cl)=CN=C1 PHBB_SC-10004 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.157 NC(=O)CC1=CC=CC(N)=C1 PHBB_SC-08709 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.157 NC(=O)NC1=CC=CC(O)=C1 PHBB_SC-04043 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 PHBB_SC-05055 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.509 O=S(=O)(Cl)CC1=CC=CC=C1 PHBB_SC-04756 [0,1,0,0,0,0|3,0,0]=4 43 B11R2.10 CC1=NC2=C(C=CC=C2)N1 PHBB_SC-04961 [0,0,0,1,0,0|2,0,0]=3 44 B11R2.10 ClC1=NC2=CC=CC=C2N1 PHBB_SC-01131 [0,0,0,1,0,0|3,0,0]=4 45 B11R2.10 NC1=NC2=C(C=CC=C2)S1 PHBB_SC-04837 [0,0,0,1,0,0|2,1,0]=4 46 B11R2.10 NC1=NC2=CC=CC=C2N1 PHBB_SC-07179 [0,0,0,1,0,0|3,0,0]=4 47 B11R2.10 O=C1CC2=C(C=CC=C2)N1 PHBB_SC-03590 [0,0,0,1,0,0|1,0,0]=2 48 B11R2.10 O=C1NC2=C(C=CC=C2)O1 PHBB_NC-03233 [0,0,0,1,0,0|1,0,0]=2 49 B11R2.10 O=C1NC2=C(N=CC=C2)N1 PHBB_SC-07859 [0,0,0,1,0,0|3,0,0]=4 50 B11R2.10 SC1=NC2=C(C=CC=C2)N1 PHBB_SC-04787 [0,0,0,1,0,0|2,1,0]=4 51 B11R2.10 SC1=NC2=C(C=CC=C2)O1 PHBB_SC-00028 [0,0,0,1,0,0|1,1,0]=3 52 B11R2.10 SC1=NC2=CC=CC=C2S1 PHBB_SC-04052 [0,0,0,1,0,0|1,2,0]=4 53 B9R1.6 CC(=O)C1=CC=CC=N1 PHBB_SC-04703 [0,0,0,0,1,0|1,0,0]=2 54 B9R1.6 CC(=O)C1=CC=NC=C1 PHBB_SC-12116 [0,0,0,0,1,0|1,0,0]=2 55 B9R1.6 CC(=O)C1=NC=CN=C1 PHBB_SC-12128 [0,0,0,0,1,0|2,0,0]=3 56 B9R1.6 CN(C)C1=CC=NC=C1 PHBB_SC-05221 [0,0,0,0,1,0|3,0,0]=4 57 B9R1.6 C[C@@H](N)C1=CC=CC=C1 PHBB_NC-02025 [0,0,0,0,1,0|1,0,1]=3 58 B9R1.6 N=C(N)C1=CC=CC=C1 PHBB_SC-05168 [0,0,0,0,1,0|2,0,0]=3 59 B9R1.6 N=C(N)C1=CC=CN=C1 PHBB_SC-05278 [0,0,0,0,1,0|3,0,0]=4 60 B9R1.6 NC(=O)C1=CC=CN=C1 PHBB_NC-02021 [0,0,0,0,1,0|2,0,0]=3 61 B9R1.6 NC(=O)C1=CC=NC=C1 PHBB_SC-08367 [0,0,0,0,1,0|2,0,0]=3 62 B9R1.6 NC(=O)C1=CN=CC=N1 PHBB_SC-00823 [0,0,0,0,1,0|3,0,0]=4 63 B9R1.6 NC(=S)C1=CN=CC=C1 PHBB_SC-04028 [0,0,0,0,1,0|2,1,0]=4 64 B9R1.6 O=C(Cl)C1=CN=CC=C1 PHBB_SC-04877 [0,0,0,0,1,0|2,0,0]=3 65 B9R1.6 O=C(O)C1=CC=NC=C1 PHBB_SC-08475 [0,0,0,0,1,0|2,0,0]=3 66 B9R1.6 O=C(O)C1=CN=CC=N1 PHBB_SC-03976 [0,0,0,0,1,0|3,0,0]=4 67 B9R1.6 O=C([O-])C1=NC=CC=C1 PHBB_SC-05228 [0,0,0,0,1,0|2,0,0]=3 68 B9R1.13 CC(=O)NC1=CC=NN1 PHBB_SC-04587 [0,0,0,0,1,0|3,0,0]=4 69 B9R1.13 O=C(Cl)CC1=CC=CS1 PHBB_SC-03499 [0,0,0,0,1,0|3,0,0]=4 70 B9R1.13 O=C(O)CC1=CSC=C1 PHBB_SC-11270 [0,0,0,0,1,0|3,0,0]=4 71 B11R1.91 CC(=O)CCC1=CC=CC=C1 PHBB_SC-04990 [0,0,0,0,0,1|1,0,0]=2 72 B11R1.91 CC(N)CCC1=CC=CC=C1 PHBB_NC-02029 [0,0,0,0,0,1|2,0,1]=4 73 B11R1.91 CC(O)C#CC1=CC=CC=C1 PHBB_SC-06989 [0,0,0,0,0,1|1,0,2]=4 74 B11R1.91 NC(=O)NCC1=CC=CC=C1 PHBB_SC-04678 [0,0,0,0,0,1|2,0,0]=3 75 B11R1.91 NC(=S)NNC1=CC=CC=C1 PHBB_SC-04739 [0,0,0,0,0,1|2,1,0]=4 76 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 PHBB_SC-05183 [0,0,0,0,0,1|1,0,0]=2 77 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 PHBB_SC-04874 [0,0,0,0,0,1|2,0,0]=3 78 B11R1.91 O=C(O)C#CC1=CC=CC=C1 PHBB_SC-04745 [0,0,0,0,0,1|2,0,0]=3 79 B11R1.91 O=C(O)CCC1=CC=CC=C1 PHBB_NC-02947 [0,0,0,0,0,1|2,0,0]=3 80 B11R1.91 O=C(O)CNC1=CC=CC=C1 PHBB_NC-02179 [0,0,0,0,0,1|2,0,0]=3 81 B11R1.91 O=C(O)COC1=CC=CC=C1 PHBB_SC-04460 [0,0,0,0,0,1|1,0,0]=2 82 B11R1.91 O=C(O)COC1=CC=CN=C1 PHBB_SC-04343 [0,0,0,0,0,1|2,0,0]=3 83 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 PHBB_SC-12089 [0,0,0,0,0,1|2,0,0]=3 84 B8R1.2 C=CC1=CC=CC=N1 PHBB_SC-03996 [2,0,0,0,0,0|1,0,1]=4 85 B8R1.2 C=CC1=CC=NC=C1 PHBB_SC-04003 [2,0,0,0,0,0|1,0,1]=4 86 B8R1.2 COC1=NC=CC=C1 PHBB_SC-05115 [2,0,0,0,0,0|1,0,0]=3 87 B8R1.2 NNC1=CC=CC=C1 PHBB_SC-04844 [2,0,0,0,0,0|2,0,0]=4 88 B8R1.2 O=CC1=CC=CC=N1 PHBB_SC-05238 [2,0,0,0,0,0|1,0,0]=3 89 B8R1.2 O=CC1=CC=NC=C1 PHBB_SC-04827 [2,0,0,0,0,0|1,0,0]=3 90 B8R1.2 O=CC1=CN=CC=C1 PHBB_SC-11009 [2,0,0,0,0,0|1,0,0]=3 91 B8R1.2 OCC1=CC=CC=C1 PHBB_SC-05054 [2,0,0,0,0,0|0,0,2]=4 92 B10R1.1 O=C=NC1=CC=C(Cl)C=C1 PHBB_SC-04721 [1,1,0,0,0,0|1,0,1]=4 93 B10R1.4 C=CCC1=CC=CC=C1O PHBB_SC-00690 [1,1,0,0,0,0|1,0,1]=4 94 B10R1.10 CNCC1=CC(N)=CC=C1 PHBB_SC-05978 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.10 O=C=NC1=CC(Cl)=CC=C1 PHBB_SC-04916 [1,1,0,0,0,0|1,0,1]=4 96 B10R1.15 CCC(=O)C1=CC=CC=C1 PHBB_SC-08413 [1,1,0,0,0,0|1,0,1]=4 97 B10R1.15 COC(=O)C1=CC=CC=C1 PHBB_SC-05154 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.17 BrCCCC1=CC=CC=C1 PHBB_SC-08397 [1,1,0,0,0,0|1,0,1]=4 99 B10R1.17 CCCNC1=CC=CC=C1 PHBB_SC-00131 [1,1,0,0,0,0|1,0,1]=4 100 B10R1.17 CCNCC1=CC=CC=C1 PHBB_SC-05041 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.17 ClC\C=C\C1=CC=CC=C1 PHBB_SC-04918 [1,1,0,0,0,0|1,0,0]=3 102 B10R1.17 NCCCC1=CC=CC=C1 PHBB_NC-02946 [1,1,0,0,0,0|1,0,1]=4 103 B10R1.17 NCCOC1=CC=CC=C1 PHBB_SC-08509 [1,1,0,0,0,0|0,0,1]=3 104 B10R1.17 NCCSC1=CC=CC=C1 PHBB_SC-09180 [1,1,0,0,0,0|0,1,1]=4 105 B10R1.17 OCCNC1=CC=CC=C1 PHBB_SC-05134 [1,1,0,0,0,0|1,0,1]=4 106 B10R1.17 OCCOC1=CC=CC=C1 PHBB_SC-01850 [1,1,0,0,0,0|0,0,1]=3 107 B10R1.17 OC\C=C\C1=CC=CC=C1 PHBB_NC-01992 [1,1,0,0,0,0|1,0,0]=3 108 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 PHBB_SC-04795 [0,1,0,0,1,0|0,0,0]=2 109 B10R1.13 CC(=O)C1=CC=C(C)C=C1 PHBB_SC-04777 [0,1,0,0,1,0|0,0,0]=2 110 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 PHBB_SC-04839 [0,1,0,0,1,0|0,0,0]=2 111 B10R1.13 CC(=O)C1=CC=C(I)C=C1 PHBB_SC-05920 [0,1,0,0,1,0|0,0,0]=2 112 B10R1.13 CC(=O)C1=CC=C(N)C=C1 PHBB_SC-10498 [0,1,0,0,1,0|0,0,0]=2 113 B10R1.13 CC(=O)C1=CC=C(O)C=C1 PHBB_SC-04830 [0,1,0,0,1,0|0,0,0]=2 114 B10R1.13 CC(C)C1=CC=C(N)C=C1 PHBB_SC-11814 [0,1,0,0,1,0|1,0,1]=4 115 B10R1.13 CC(N)C1=CC=C(Br)C=C1 PHBB_SC-11659 [0,1,0,0,1,0|1,0,1]=4 116 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 PHBB_SC-08420 [0,1,0,0,1,0|1,0,0]=3 117 B10R1.13 N=C(N)C1=CC=C(N)C=C1 PHBB_SC-05554 [0,1,0,0,1,0|2,0,0]=4 118 B10R1.13 NC(=O)C1=CC=C(N)C=C1 PHBB_SC-03765 [0,1,0,0,1,0|1,0,0]=3 119 B10R1.13 NC(=S)C1=CC=C(O)C=C1 PHBB_SC-02364 [0,1,0,0,1,0|1,1,0]=4 120 B10R1.13 NC1=CC=C(C(=O)O)C=N1 PHBB_SC-07843 [0,1,0,0,1,0|2,0,0]=4 121 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 PHBB_SC-04840 [0,1,0,0,1,0|1,0,0]=3 122 B10R1.13 O=C(O)C1=CC=C(F)C=C1 PHBB_SC-04695 [0,1,0,0,1,0|1,0,0]=3 123 B10R1.13 O=C(O)C1=CC=C(O)C=C1 PHBB_NC-02033 [0,1,0,0,1,0|1,0,0]=3 124 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 PHBB_SC-03319 [0,1,0,0,1,0|2,0,0]=4 125 B10R1.13 O=C1C=CC(C(=O)O)=CN1 PHBB_NC-02879 [0,1,0,0,1,0|2,0,0]=4 126 B10R1.13 O=C1C=CC(C(=O)O)=CO1 PHBB_NC-01962 [0,1,0,0,1,0|2,0,0]=4 127 B10R1.13 O=[N+]([O-])C1=CC=C(Br)C=C1 PHBB_SC-04455 [0,1,0,0,1,0|2,0,0]=4 128 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=C1 PHBB_SC-05119 [0,1,0,0,1,0|2,0,0]=4 129 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 PHBB_SC-03795 [0,1,0,0,1,0|2,0,0]=4 130 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 PHBB_SC-05057 [0,1,0,0,1,0|2,0,0]=4 131 B10R1.61 CC(=O)C1=C(C)C=CC=C1 PHBB_SC-04946 [0,1,0,0,1,0|0,0,0]=2 132 B10R1.61 CC(=O)C1=C(O)C=CC=C1 PHBB_SC-04876 [0,1,0,0,1,0|0,0,0]=2 133 B10R1.61 CC(=O)C1=CC=CC=C1N PHBB_SC-06120 [0,1,0,0,1,0|0,0,0]=2 134 B10R1.61 CC1=C(C(=O)Cl)C=CC=C1 PHBB_SC-05005 [0,1,0,0,1,0|1,0,0]=3 135 B10R1.61 NC(=O)C1=C(O)C=CC=C1 PHBB_SC-06694 [0,1,0,0,1,0|1,0,0]=3 136 B10R1.61 NC(=O)C1=C(O)C=CC=N1 PHBB_SC-04037 [0,1,0,0,1,0|2,0,0]=4 137 B10R1.61 NC1=C(C(=O)O)C=CC=N1 PHBB_SC-03320 [0,1,0,0,1,0|2,0,0]=4 138 B10R1.61 NC1=CC=CC=C1C(=O)O PHBB_NC-03334 [0,1,0,0,1,0|1,0,0]=3 139 B10R1.61 NC1=CC=CC=C1[N+](=O)[O-] PHBB_SC-10499 [0,1,0,0,1,0|2,0,0]=4 140 B10R1.61 O=C(Cl)C1=C(Cl)C=CC=C1 PHBB_SC-04912 [0,1,0,0,1,0|1,0,0]=3 141 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 PHBB_SC-08434 [0,1,0,0,1,0|1,0,0]=3 142 B10R1.61 O=C(Cl)C1=CC=CN=C1Cl PHBB_SC-05862 [0,1,0,0,1,0|2,0,0]=4 143 B10R1.61 O=C(O)C1=C(I)C=CC=C1 PHBB_SC-04862 [0,1,0,0,1,0|1,0,0]=3 144 B10R1.61 O=C(O)C1=CC=CC=C1F PHBB_SC-09608 [0,1,0,0,1,0|1,0,0]=3 145 B10R1.61 O=C(O)C1=CC=CN=C1Cl PHBB_SC-04606 [0,1,0,0,1,0|2,0,0]=4 146 B10R1.61 O=C(O)C1=CC=CN=C1S PHBB_SC-04731 [0,1,0,0,1,0|2,0,0]=4 147 B10R1.61 O=C(O)C1=CC=CNC1=O PHBB_NC-01907 [0,1,0,0,1,0|2,0,0]=4 148 B10R1.113 CC(=O)C1=CC(O)=CC=C1 PHBB_SC-05199 [0,1,0,0,1,0|0,0,0]=2 149 B10R1.113 CC(=O)C1=CC=CC(N)=C1 PHBB_SC-10497 [0,1,0,0,1,0|0,0,0]=2 150 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 PHBB_SC-09755 [0,1,0,0,1,0|2,0,0]=4 151 B10R1.113 NC(=O)C1=CC=CC(N)=C1 PHBB_SC-08569 [0,1,0,0,1,0|1,0,0]=3 152 B10R1.113 NC(=O)C1=NC(Cl)=CC=C1 PHBB_SC-04469 [0,1,0,0,1,0|2,0,0]=4 153 B10R1.113 NC1=CC(C(=O)O)=CN=C1 PHBB_SC-03701 [0,1,0,0,1,0|2,0,0]=4 154 B10R1.113 NC1=CC=CC(C(=O)O)=C1 PHBB_SC-12098 [0,1,0,0,1,0|1,0,0]=3 155 B10R1.113 NC1=NC=CC(C(=O)O)=C1 PHBB_SC-07844 [0,1,0,0,1,0|2,0,0]=4 156 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 PHBB_SC-02168 [0,1,0,0,1,0|2,0,0]=4 157 B10R1.113 O=C(O)C1=CC(Cl)=CC=N1 PHBB_SC-07057 [0,1,0,0,1,0|2,0,0]=4 158 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 PHBB_SC-03500 [0,1,0,0,1,0|2,0,0]=4 159 B10R1.113 O=C(O)C1=CC(O)=CN=C1 PHBB_NC-01786 [0,1,0,0,1,0|2,0,0]=4 160 B10R1.113 O=C(O)C1=CC=CC(O)=C1 PHBB_SC-04677 [0,1,0,0,1,0|1,0,0]=3 161 B10R1.113 O=C(O)C1=C[N+]([O-])=CC=C1 PHBB_SC-04887 [0,1,0,0,1,0|2,0,0]=4 162 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 PHBB_SC-03322 [0,1,0,0,1,0|2,0,0]=4 163 B10R1.113 O=C(O)C1=NC(O)=CC=C1 PHBB_SC-03565 [0,1,0,0,1,0|2,0,0]=4 164 B10R1.27 CCC(=O)CC1=CC=CO1 PHBB_NC-02316 [0,1,0,0,1,0|2,0,0]=4 165 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 PHBB_NC-00157 [0,1,0,0,0,1|1,0,0]=3 166 B12R1.21 CC(=O)\C=C\C1=CC=[N+](C)C=C1 PHBB_NC-02315 [0,1,0,0,0,1|2,0,0]=4 167 B12R1.21 CC(C)COC1=CC=C(N)C=C1 PHBB_SC-09971 [0,1,0,0,0,1|1,0,1]=4 168 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 PHBB_SC-05284 [0,1,0,0,0,1|1,0,0]=3 169 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 PHBB_NC-03346 [0,1,0,0,0,1|2,0,0]=4 170 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 PHBB_SC-06933 [0,1,0,0,0,1|1,0,0]=3 171 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 PHBB_NC-00016 [0,1,0,0,0,1|2,0,0]=4 172 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 PHBB_NC-03501 [0,1,0,0,0,1|2,0,0]=4 173 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 PHBB_NC-01994 [0,1,0,0,0,1|2,0,0]=4 174 B12R1.27 COC(=O)CNC1=CC=CC=C1 PHBB_SC-11456 [0,1,0,0,0,1|1,0,0]=3 175 B12R1.27 N\C(COC1=CC=CC=C1)=N/O PHBB_SC-09407 [0,1,0,0,0,1|1,0,1]=4 176 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl PHBB_SC-08421 [0,1,0,0,0,1|1,0,0]=3 177 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 PHBB_NC-02068 [0,1,0,0,0,1|2,0,0]=4 178 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 PHBB_SC-01239 [0,1,0,0,0,1|1,0,0]=3 179 B12R1.107 CC(=O)CC(O)C1=NC=CC=C1 PHBB_NC-02252 [0,1,0,0,0,1|2,0,0]=4 180 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 PHBB_NC-01892 [0,1,0,0,0,1|2,0,0]=4 181 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 PHBB_SC-06228 [0,1,0,0,0,1|2,0,0]=4 182 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 PHBB_SC-08515 [0,1,0,0,0,1|2,0,0]=4 183 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 PHBB_SC-05592 [0,1,0,0,0,1|1,0,0]=3 184 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 PHBB_NC-02010 [0,1,0,0,0,1|2,0,0]=4 185 B12R1.226 NC1=CC=CC(CCC(=O)[O-])=C1 PHBB_SC-11189 [0,1,0,0,0,1|2,0,0]=4 186 B12R1.226 NC1=CC=CC(OCC(=O)O)=C1 PHBB_SC-05364 [0,1,0,0,0,1|1,0,0]=3 187 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 PHBB_NC-01993 [0,1,0,0,0,1|2,0,0]=4 188 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 PHBB_NC-02105 [0,2,0,0,0,0|1,0,1]=4 189 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 PHBB_NC-03082 [0,2,0,0,0,0|1,0,1]=4 190 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 PHBB_SC-03284 [0,2,0,0,0,0|2,0,0]=4 191 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 PHBB_NC-01943 [0,2,0,0,0,0|1,0,0]=3 192 B12R1.4 COC1=CC=C(NC(N)=O)C=C1 PHBB_SC-04813 [0,2,0,0,0,0|2,0,0]=4 193 B12R1.20 NC(=O)[C@H](N)C1=CC=C(O)C=C1 PHBB_SC-09673 [0,2,0,0,0,0|2,0,0]=4 194 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 PHBB_NC-02929 [0,2,0,0,0,0|2,0,0]=4 195 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 PHBB_SC-08935 [0,2,0,0,0,0|1,0,0]=3 196 B12R1.34 CN(C(=O)CN)C1=CC=CC=C1 PHBB_SC-05689 [0,2,0,0,0,0|1,0,0]=3 197 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 PHBB_NC-02032 [0,2,0,0,0,0|1,0,0]=3 198 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 PHBB_NC-01961 [0,2,0,0,0,0|2,0,0]=4 199 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 PHBB_NC-01813 [0,2,0,0,0,0|2,0,0]=4 200 B12R1.32 CCOC(=O)NC1=CC=CC=C1 PHBB_SC-04821 [0,2,0,0,0,0|1,0,0]=3 201 B12R1.32 CNCC(=O)NC1=CC=CN=C1 PHBB_SC-04332 [0,2,0,0,0,0|2,0,0]=4 202 B12R1.32 NCCC(=O)NC1=CC=CC=C1 PHBB_SC-08941 [0,2,0,0,0,0|1,0,0]=3 203 B12R1.32 NCCC(=O)NC1=CC=NC=C1 PHBB_SC-05827 [0,2,0,0,0,0|2,0,0]=4 204 B12R1.32 NCCC(=O)NC1=CN=CC=C1 PHBB_SC-05826 [0,2,0,0,0,0|2,0,0]=4 205 B12R1.32 NCCC(=O)NC1=NC=CC=C1 PHBB_SC-05941 [0,2,0,0,0,0|2,0,0]=4 206 B12R1.50 CNC(=O)CC1=CC=CC(N)=C1 PHBB_SC-08710 [0,2,0,0,0,0|1,0,0]=3 207 B12R1.50 NCC(=O)NC1=CC=CC(Cl)=C1 PHBB_SC-05652 [0,2,0,0,0,0|1,0,0]=3 208 B12R1.371 NCC(=O)NC1=CC=CC=C1Cl PHBB_SC-05845 [0,2,0,0,0,0|1,0,0]=3 209 B12R1.75 CC(C)OC1=CC=CC=C1CN PHBB_SC-05991 [0,2,0,0,0,0|1,0,1]=4 210 B12R1.75 COC1=CC=CC=C1CC(C)=O PHBB_NC-02988 [0,2,0,0,0,0|1,0,0]=3 211 B12R1.127 CC(=O)NC1=CC(N)=CC=C1Cl PHBB_SC-09963 [0,2,0,0,0,0|1,0,0]=3 212 B12R1.127 CC(=O)NC1=CC(N)=CC=C1O PHBB_SC-10968 [0,2,0,0,0,0|1,0,0]=3 213 B12R1.101 O=C(O)CC1=CC(F)=CC(F)=C1 PHBB_SC-03006 [0,2,0,0,0,0|2,0,0]=4 214 B12R1.438 CC(C)OC1=CC(CN)=CC=C1 PHBB_SC-09163 [0,2,0,0,0,0|1,0,1]=4 215 B12R1.438 CC(C)OC1=CC(CN)=CC=C1 PHBB_SC-10783 [0,2,0,0,0,0|1,0,1]=4 216 B10R2.6 C1=CC=C(C2CO2)C=C1 PHBB_NC-02009 [1,0,0,1,0,0|2,0,0]=4 217 B10R2.7 C1=CC2=C(C=C1)NC=C2 PHBB_NC-01977 [1,0,0,1,0,0|1,0,1]=4 218 B10R2.7 C1=CC=C2NCCC2=C1 PHBB_SC-00310 [1,0,0,1,0,0|1,0,1]=4 219 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 PHBB_NC-00341 [0,0,0,1,0,1|2,0,0]=4 220 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 PHBB_NC-00687 [0,0,0,1,0,1|2,0,0]=4 221 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 PHBB_SC-11805 [0,0,0,1,0,1|1,1,0]=4 222 B12R2.2057 C1=CC=C(OCC2CO2)C=C1 PHBB_SC-04053 [0,0,0,1,0,1|0,0,2]=4 223 B12R2.606 CC1=NC2=CC=C(N)C=C2N1 PHBB_SC-05897 [0,1,0,1,0,0|2,0,0]=4 224 B12R2.606 NC1=CC=C2NC(=O)NC2=C1 PHBB_SC-11037 [0,1,0,1,0,0|2,0,0]=4 225 B12R2.606 O=C1CC2=CC(Cl)=CC=C2N1 PHBB_SC-03714 [0,1,0,1,0,0|1,0,0]=3 226 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 PHBB_SC-03903 [0,1,0,1,0,0|1,0,0]=3 227 B12R2.606 O=C1CC2=CC=C(Cl)C=C2N1 PHBB_SC-01135 [0,1,0,1,0,0|1,0,0]=3 228 B12R2.606 O=C1OC2=C(C=CC(O)=C2)S1 PHBB_SC-09777 [0,1,0,1,0,0|1,0,0]=3 229 B12R2.606 O=C1OC2=CC=C(O)C=C2S1 PHBB_SC-03950 [0,1,0,1,0,0|1,0,0]=3 230 B12R2.18 CN1C(Cl)=NC2=C1C=CC=C2 PHBB_SC-11292 [0,1,0,1,0,0|2,0,0]=4 231 B12R2.18 NC1C(=O)NC2=CC=CC=C21 PHBB_NC-02944 [0,1,0,1,0,0|1,0,0]=3 232 B12R2.18 NC1C(=O)NC2=CC=CC=C21 PHBB_NC-03448 [0,1,0,1,0,0|1,0,0]=3 233 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O PHBB_NC-01952 [0,1,0,1,0,0|1,0,1]=4 234 B12R2.32 ClCC1=NC2=CC=CC=C2N1 PHBB_SC-03285 [0,1,0,1,0,0|2,0,0]=4 235 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 PHBB_SC-10886 [0,1,0,1,0,0|2,0,0]=4 236 B12R2.32 NCC1=NC2=CC=CC=C2N1 PHBB_SC-04389 [0,1,0,1,0,0|2,0,0]=4 237 B12R2.32 NCC1CC2=CC=CC=C2O1 PHBB_SC-07229 [0,1,0,1,0,0|1,0,1]=4 238 B12R2.32 O=CC1=NC2=CC=CC=C2N1 PHBB_SC-09909 [0,1,0,1,0,0|2,0,0]=4 239 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 PHBB_SC-07083 [0,1,0,1,0,0|2,0,0]=4 240 B12R2.32 OCC1CC2=CC=CC=C2O1 PHBB_SC-01602 [0,1,0,1,0,0|0,0,2]=4 241 B12R2.32 SCC1=NC2=CC=CC=C2N1 PHBB_SC-03594 [0,1,0,1,0,0|2,0,0]=4 242 B8R1.7 CC(=O)C1=CC=CN1 PHBB_SC-02946 [0,0,0,0,2,0|1,0,0]=3 243 B8R1.7 O=C(Cl)C1=CC=CS1 PHBB_SC-04856 [0,0,0,0,2,0|2,0,0]=4 244 B8R1.7 O=C(O)C1=CC=CN1 PHBB_SC-10263 [0,0,0,0,2,0|2,0,0]=4 245 B8R1.7 O=C(O)C1=CC=CO1 PHBB_SC-04684 [0,0,0,0,2,0|2,0,0]=4 246 B8R1.7 OC(=O)C1=CSC=C1 PHBB_SC-06117 [0,0,0,0,2,0|2,0,0]=4 247 B12R1.252 O=C(O)CSCC1=CC=CC=C1 PHBB_SC-04791 [0,0,0,0,0,2|1,1,0]=4 248 B12R1.252 O=C([O-])\C=C\SC1=CC=CC=C1 PHBB_SC-00182 [0,0,0,0,0,2|1,1,0]=4