0 B10R1.15 CCC(=O)C1=CC=CC=C1 PHBB_SC-08413 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.15 COC(=O)C1=CC=CC=C1 PHBB_SC-05154 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.15 NCC(=O)C1=CC=CC=C1 PHBB_NC-03457 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.15 NNC(=O)C1=CC=NC=C1 PHBB_SC-04447 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.15 N\C(=N/O)C1=CC=CC=C1 PHBB_SC-11990 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.6 CC(=O)C1=CC=CC=N1 PHBB_SC-04703 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.6 CC(=O)C1=CC=NC=C1 PHBB_SC-12116 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.6 CN(C)C1=CC=NC=C1 PHBB_SC-05221 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.6 C[C@@H](N)C1=CC=CC=C1 PHBB_NC-02025 [1,0,0,0,0,0|0,0,0]=1 9 B9R1.6 N=C(N)C1=CC=CC=C1 PHBB_SC-05168 [1,0,0,0,0,0|1,0,1]=3 10 B9R1.6 N=C(N)C1=CC=CN=C1 PHBB_SC-05278 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.6 NC(=O)C1=CC=CN=C1 PHBB_NC-02021 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.6 NC(=O)C1=CC=NC=C1 PHBB_SC-08367 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.6 NC(=S)C1=CN=CC=C1 PHBB_SC-04028 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.8 BrCCC1=CC=CC=C1 PHBB_SC-05006 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.8 CCNC1=CC=CC=C1 PHBB_SC-05020 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.8 CNCC1=CC=CC=C1 PHBB_SC-04966 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.8 CNCC1=CC=CC=N1 PHBB_SC-10921 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.8 COCC1=CC=CC=C1 PHBB_SC-05053 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.8 ClCCC1=CC=CC=C1 PHBB_SC-03435 [1,0,0,0,0,0|1,0,0]=2 20 B9R1.8 N#CCC1=NC=CC=C1 PHBB_SC-03787 [1,0,0,0,0,0|1,0,2]=4 21 B9R1.8 NCCC1=CC=NC=C1 PHBB_SC-10402 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.8 NNCC1=CC=CC=C1 PHBB_SC-04682 [1,0,0,0,0,0|1,0,0]=2 23 B9R1.8 O=C=NC1=CC=CC=C1 PHBB_SC-05015 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.8 OCCC1=NC=CC=C1 PHBB_SC-11012 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.8 S=C=NC1=CC=CC=C1 PHBB_SC-06210 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.16 CC(N=C=S)C1=CC=CC=C1 PHBB_SC-01379 [0,1,0,0,0,0|1,0,1]=3 27 B11R1.16 CCCC(=O)C1=CC=CC=C1 PHBB_SC-08436 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.16 CCOC(=O)C1=CC=CC=C1 PHBB_SC-05056 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.16 N#CCC(=O)C1=CC=CC=C1 PHBB_SC-08028 [0,1,0,0,0,0|1,0,2]=4 30 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 PHBB_SC-04986 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 PHBB_SC-04969 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 PHBB_SC-11162 [0,1,0,0,0,0|1,0,1]=3 33 B11R1.22 NCC(O)C1=CC=C(O)C=C1 PHBB_NC-01249 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 PHBB_SC-06624 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 PHBB_SC-04458 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 PHBB_SC-08439 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 PHBB_SC-05022 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.23 NCC(O)C1=CC(O)=CC=C1 PHBB_NC-02930 [0,1,0,0,0,0|1,0,0]=2 39 B11R1.36 NC(C(=O)Cl)C1=CC=CC=C1 PHBB_NC-00237 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 PHBB_NC-03684 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 PHBB_NC-02998 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 PHBB_NC-03020 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 PHBB_SC-04955 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.222 NNC(=O)C1=C(O)C=CC=C1 PHBB_SC-00034 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 PHBB_NC-02003 [0,0,0,0,0,1|1,0,2]=4 46 B11R1.40 NCC(=O)NC1=CC=NC=C1 PHBB_SC-06018 [0,0,0,0,0,1|2,0,1]=4 47 B11R1.40 NCC(=O)NC1=NC=CC=C1 PHBB_SC-06017 [0,0,0,0,0,1|2,0,1]=4 48 B11R1.40 O=C(CS)NC1=CC=CC=C1 PHBB_SC-00200 [0,0,0,0,0,1|2,0,1]=4 49 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 PHBB_SC-01477 [0,0,0,0,0,1|2,0,0]=3 50 B8R1.2 COC1=NC=CC=C1 PHBB_SC-05115 [2,0,0,0,0,0|2,0,0]=4 51 B8R1.2 ClCC1=CC=CC=N1 PHBB_SC-01935 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.2 ClCC1=CC=CN=C1 PHBB_SC-01948 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.2 ClCC1=CC=NC=C1 PHBB_SC-01947 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.2 NCC1=CC=CC=N1 PHBB_SC-04231 [2,0,0,0,0,0|1,0,0]=3 55 B8R1.2 NCC1=CN=CC=C1 PHBB_SC-12218 [2,0,0,0,0,0|1,0,0]=3 56 B8R1.2 NNC1=CC=CC=C1 PHBB_SC-04844 [2,0,0,0,0,0|1,0,0]=3 57 B8R1.2 NNC1=NC=CC=C1 PHBB_SC-08592 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.2 OCC1=CC=CC=C1 PHBB_SC-05054 [2,0,0,0,0,0|1,0,0]=3 59 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 PHBB_SC-04795 [1,1,0,0,0,0|1,0,1]=4 60 B10R1.13 CC(=O)C1=CC=C(C)C=C1 PHBB_SC-04777 [1,1,0,0,0,0|1,0,1]=4 61 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 PHBB_SC-04839 [1,1,0,0,0,0|1,0,1]=4 62 B10R1.13 CC(=O)C1=CC=C(I)C=C1 PHBB_SC-05920 [1,1,0,0,0,0|1,0,1]=4 63 B10R1.13 CC(=O)C1=CC=C(N)C=C1 PHBB_SC-10498 [1,1,0,0,0,0|1,0,1]=4 64 B10R1.13 CC(=O)C1=CC=C(O)C=C1 PHBB_SC-04830 [1,1,0,0,0,0|1,0,1]=4 65 B10R1.13 CC(C)C1=CC=C(N)C=C1 PHBB_SC-11814 [1,1,0,0,0,0|0,0,0]=2 66 B10R1.13 CC(N)C1=CC=C(Br)C=C1 PHBB_SC-11659 [1,1,0,0,0,0|0,0,0]=2 67 B10R1.13 N=C(N)C1=CC=C(N)C=C1 PHBB_SC-05554 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.13 NC(=O)C1=CC=C(N)C=C1 PHBB_SC-03765 [1,1,0,0,0,0|1,0,1]=4 69 B10R1.13 NC(=S)C1=CC=C(O)C=C1 PHBB_SC-02364 [1,1,0,0,0,0|1,0,1]=4 70 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 PHBB_SC-05057 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.61 CC(=O)C1=C(C)C=CC=C1 PHBB_SC-04946 [1,1,0,0,0,0|1,0,1]=4 72 B10R1.61 CC(=O)C1=C(O)C=CC=C1 PHBB_SC-04876 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.61 CC(=O)C1=CC=CC=C1N PHBB_SC-06120 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.61 NC(=O)C1=C(O)C=CC=C1 PHBB_SC-06694 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.113 CC(=O)C1=CC(O)=CC=C1 PHBB_SC-05199 [1,1,0,0,0,0|1,0,1]=4 76 B10R1.113 CC(=O)C1=CC=CC(N)=C1 PHBB_SC-10497 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.113 CN(C)C1=NC(Cl)=CC=C1 PHBB_SC-12039 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.113 NC(=O)C1=CC=CC(N)=C1 PHBB_SC-08569 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.1 NCCC1=CC=C(F)C=C1 PHBB_SC-04579 [1,1,0,0,0,0|0,0,0]=2 80 B10R1.1 NCCC1=CC=C(O)C=C1 PHBB_NC-02695 [1,1,0,0,0,0|0,0,0]=2 81 B10R1.4 C=CCC1=CC=CC=C1O PHBB_SC-00690 [1,1,0,0,0,0|1,0,1]=4 82 B10R1.10 CNCC1=CC(N)=CC=C1 PHBB_SC-05978 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.10 NCCC1=CC(F)=CC=C1 PHBB_SC-05860 [1,1,0,0,0,0|0,0,0]=2 84 B10R1.17 BrCCCC1=CC=CC=C1 PHBB_SC-08397 [1,1,0,0,0,0|1,0,0]=3 85 B10R1.17 CCCNC1=CC=CC=C1 PHBB_SC-00131 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.17 CCNCC1=CC=CC=C1 PHBB_SC-05041 [1,1,0,0,0,0|1,0,0]=3 87 B10R1.17 CNCCC1=NC=CC=C1 PHBB_SC-02540 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.17 ClC\C=C\C1=CC=CC=C1 PHBB_SC-04918 [1,1,0,0,0,0|1,0,1]=4 89 B10R1.17 NCCCC1=CC=CC=C1 PHBB_NC-02946 [1,1,0,0,0,0|0,0,0]=2 90 B10R1.17 NCCNC1=NC=CC=N1 PHBB_SC-05257 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.17 NCCNC1=NC=CC=N1 PHBB_SC-10781 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.17 NCCOC1=CC=CC=C1 PHBB_SC-08509 [1,1,0,0,0,0|0,0,0]=2 93 B10R1.17 NCCSC1=CC=CC=C1 PHBB_SC-09180 [1,1,0,0,0,0|0,0,0]=2 94 B10R1.17 OCCNC1=CC=CC=C1 PHBB_SC-05134 [1,1,0,0,0,0|1,0,0]=3 95 B10R1.17 OCCOC1=CC=CC=C1 PHBB_SC-01850 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.17 OC\C=C\C1=CC=CC=C1 PHBB_NC-01992 [1,1,0,0,0,0|1,0,1]=4 97 B10R1.17 S=C=NCC1=CC=CC=C1 PHBB_SC-04723 [1,1,0,0,0,0|1,0,1]=4 98 B10R1.18 N=C(N)CC1=CC=CC=C1 PHBB_SC-08622 [1,1,0,0,0,0|0,0,1]=3 99 B10R1.18 NC(=S)NC1=CC=CC=C1 PHBB_SC-04815 [1,1,0,0,0,0|1,0,1]=4 100 B10R1.18 O=C(Cl)CC1=CC=CC=C1 PHBB_SC-04855 [1,1,0,0,0,0|1,0,1]=4 101 B12R1.32 CN(CC#N)CC1=CC=CC=C1 PHBB_SC-09013 [0,1,0,0,0,1|1,0,1]=4 102 B12R1.32 NCCC(=O)NC1=CC=CC=C1 PHBB_SC-08941 [0,1,0,0,0,1|1,0,1]=4 103 B12R1.34 CN(C(=O)CN)C1=CC=CC=C1 PHBB_SC-05689 [0,1,0,0,0,1|1,0,1]=4 104 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 PHBB_NC-01733 [0,1,0,0,0,1|2,0,0]=4 105 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl PHBB_SC-08421 [0,1,0,0,0,1|1,0,1]=4 106 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 PHBB_NC-02068 [0,1,0,0,0,1|1,0,1]=4 107 B12R1.50 NCC(=O)NC1=CC=CC(Cl)=C1 PHBB_SC-05652 [0,1,0,0,0,1|1,0,1]=4 108 B12R1.118 COC(CC1=CC=CC=C1)OC PHBB_SC-05116 [0,1,0,0,0,1|2,0,0]=4 109 B12R1.194 CC(C)(CN)NC1=CC=CC=C1 PHBB_SC-09274 [0,1,0,0,0,1|0,0,0]=2 110 B12R1.371 NCC(=O)NC1=CC=CC=C1Cl PHBB_SC-05845 [0,1,0,0,0,1|1,0,1]=4 111 B12R1.39 NCCS(=O)(=O)C1=CC=CC=C1 PHBB_SC-03951 [0,2,0,0,0,0|2,0,0]=4 112 B12R1.12 CCN(CC)C1=CC=C(N)C=C1 PHBB_SC-05033 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 PHBB_NC-01961 [0,2,0,0,0,0|1,0,1]=4 114 B12R1.478 CN(C)C(CN)C1=CC=CC=C1 PHBB_SC-07220 [0,2,0,0,0,0|0,0,0]=2 115 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 PHBB_NC-01813 [0,2,0,0,0,0|1,0,1]=4 116 B12R1.16 CNC[C@H](O)C1=CC=C(O)C=C1 PHBB_NC-03323 [0,2,0,0,0,0|1,0,0]=3 117 B12R1.17 [C@@H](O)(CNC)C1=CC=CC(O)=C1 PHBB_NC-02233 [0,2,0,0,0,0|1,0,0]=3 118 B12R1.30 CN(CCCN)C1=CC=CC=C1 PHBB_SC-08511 [0,2,0,0,0,0|1,0,0]=3 119 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 PHBB_NC-01892 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 PHBB_NC-03464 [0,2,0,0,0,0|1,0,1]=4 121 B12R1.20 NC(=O)[C@H](N)C1=CC=C(O)C=C1 PHBB_SC-09673 [0,2,0,0,0,0|1,0,1]=4 122 B12R1.367 CCC(C)C1=CC(N)=C(O)C=C1 PHBB_SC-06746 [0,2,0,0,0,0|1,0,0]=3 123 B12R1.367 [C@H](O)(CN)C1=CC(O)=C(O)C=C1 PHBB_NC-03769 [0,2,0,0,0,0|1,0,0]=3 124 B12R1.435 COC1=CC(C(=O)CN)=CC=C1 PHBB_SC-10842 [0,2,0,0,0,0|1,0,1]=4 125 B12R1.435 COC1=CC(C(=O)CN)=CC=C1 PHBB_SC-10995 [0,2,0,0,0,0|1,0,1]=4 126 B10R2.6 C1=CC=C(C2CO2)C=C1 PHBB_NC-02009 [1,0,0,1,0,0|1,0,0]=3 127 B10R2.7 C1=CC2=C(C=C1)NC=C2 PHBB_NC-01977 [1,0,0,1,0,0|0,0,2]=4 128 B10R2.7 C1=CC=C2NCCC2=C1 PHBB_SC-00310 [1,0,0,1,0,0|0,0,0]=2 129 B12R2.18 NC1C(=O)NC2=CC=CC=C21 PHBB_NC-02944 [0,0,0,1,0,1|1,0,1]=4 130 B12R2.18 NC1C(=O)NC2=CC=CC=C21 PHBB_NC-03448 [0,0,0,1,0,1|1,0,1]=4 131 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 PHBB_SC-10886 [0,0,0,1,0,1|1,0,1]=4 132 B12R2.32 NCC1=NC2=CC=CC=C2N1 PHBB_SC-04389 [0,0,0,1,0,1|1,0,1]=4 133 B12R2.32 NCC1CC2=CC=CC=C2O1 PHBB_SC-07229 [0,0,0,1,0,1|0,0,0]=2 134 B12R2.32 OCC1CC2=CC=CC=C2O1 PHBB_SC-01602 [0,0,0,1,0,1|1,0,0]=3 135 B12R2.92 ClC1(Cl)CC1C2=CC=CC=C2 PHBB_SC-04014 [0,1,0,1,0,0|1,0,0]=3 136 B12R2.203 CC1=CNC2=C1C(O)=CC=C2 PHBB_NC-02661 [0,1,0,1,0,0|0,0,2]=4 137 B8R1.7 CC(C)C1=NC=CN1 PHBB_SC-04042 [1,0,0,0,1,0|2,0,0]=4 138 B8R1.8 NCCC1=CC=CO1 PHBB_SC-12255 [1,0,0,0,1,0|1,0,0]=3 139 B8R1.8 NCCC1=CNC=N1 PHBB_NC-00805 [1,0,0,0,1,0|2,0,0]=4 140 B8R1.8 NCCN1C=CC=N1 PHBB_SC-11529 [1,0,0,0,1,0|2,0,0]=4 141 B8R1.8 NCCN1C=CN=C1 PHBB_SC-11528 [1,0,0,0,1,0|2,0,0]=4