0 B10R1.17 BrCCCC1=CC=CC=C1 PHBB_SC-08397 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.17 CCCNC1=CC=CC=C1 PHBB_SC-00131 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.17 CCNCC1=CC=CC=C1 PHBB_SC-05041 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.17 ClC\C=C\C1=CC=CC=C1 PHBB_SC-04918 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.17 NCCCC1=CC=CC=C1 PHBB_NC-02946 [0,0,0,0,0,0|1,0,2]=3 5 B10R1.17 NCCOC1=CC=CC=C1 PHBB_SC-08509 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.17 NCCSC1=CC=CC=C1 PHBB_SC-09180 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.17 OCCNC1=CC=CC=C1 PHBB_SC-05134 [0,0,0,0,0,0|1,0,1]=2 8 B10R1.17 OCCOC1=CC=CC=C1 PHBB_SC-01850 [0,0,0,0,0,0|1,0,1]=2 9 B10R1.17 OC\C=C\C1=CC=CC=C1 PHBB_NC-01992 [0,0,0,0,0,0|0,0,0]=0 10 B10R1.17 S=C=NCC1=CC=CC=C1 PHBB_SC-04723 [0,0,0,0,0,0|1,1,2]=4 11 B9R1.8 BrCCC1=CC=CC=C1 PHBB_SC-05006 [1,0,0,0,0,0|1,0,1]=3 12 B9R1.8 CCNC1=CC=CC=C1 PHBB_SC-05020 [1,0,0,0,0,0|1,0,1]=3 13 B9R1.8 CNCC1=CC=CC=C1 PHBB_SC-04966 [1,0,0,0,0,0|1,0,1]=3 14 B9R1.8 CNCC1=CC=CC=N1 PHBB_SC-10921 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.8 COCC1=CC=CC=C1 PHBB_SC-05053 [1,0,0,0,0,0|1,0,1]=3 16 B9R1.8 ClCCC1=CC=CC=C1 PHBB_SC-03435 [1,0,0,0,0,0|1,0,1]=3 17 B9R1.8 NCCC1=CC=NC=C1 PHBB_SC-10402 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.8 NNCC1=CC=CC=C1 PHBB_SC-04682 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.8 O=C=NC1=CC=CC=C1 PHBB_SC-05015 [1,0,0,0,0,0|1,0,2]=4 20 B9R1.8 OCCC1=NC=CC=C1 PHBB_SC-11012 [1,0,0,0,0,0|1,0,1]=3 21 B9R1.8 S=C=NC1=CC=CC=C1 PHBB_SC-06210 [1,0,0,0,0,0|1,1,1]=4 22 B11R1.1 CCCCC1=CC=C(N)C=C1 PHBB_SC-05042 [0,1,0,0,0,0|1,0,2]=4 23 B11R1.1 CCCOC1=CC=C(O)C=C1 PHBB_SC-04680 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.1 NC1=CC=C(OCCO)C=C1 PHBB_SC-05653 [0,1,0,0,0,0|1,0,1]=3 25 B11R1.1 NCCOC1=CC=C(Br)C=C1 PHBB_SC-11565 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.1 NCCOC1=CC=C(Cl)C=C1 PHBB_SC-11564 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.16 CCCC(=O)C1=CC=CC=C1 PHBB_SC-08436 [0,1,0,0,0,0|1,0,1]=3 28 B11R1.16 CCOC(=O)C1=CC=CC=C1 PHBB_SC-05056 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.16 CCOC(=O)C1=CC=NC=C1 PHBB_SC-04699 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.16 N#CCC(=O)C1=CC=CC=C1 PHBB_SC-08028 [0,1,0,0,0,0|1,0,2]=4 31 B11R1.17 NC1=C(OCCO)C=CC=C1 PHBB_SC-06057 [0,1,0,0,0,0|1,0,1]=3 32 B11R1.24 NC1=CC(OCCO)=CC=C1 PHBB_SC-06344 [0,1,0,0,0,0|1,0,1]=3 33 B11R1.28 CNCCOC1=CC=CC=C1 PHBB_SC-05505 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.28 NCCCNC1=CC=CC=C1 PHBB_SC-08510 [0,1,0,0,0,0|1,0,2]=4 35 B11R1.28 NCCNCC1=CC=CC=C1 PHBB_SC-11016 [0,1,0,0,0,0|1,0,2]=4 36 B11R1.28 NCCOCC1=CC=CC=C1 PHBB_SC-11922 [0,1,0,0,0,0|1,0,2]=4 37 B11R1.28 OCCNCC1=CC=CC=C1 PHBB_SC-04015 [0,1,0,0,0,0|0,0,2]=3 38 B11R1.40 COC(=O)CC1=CC=CC=C1 PHBB_SC-08463 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 PHBB_NC-02003 [0,1,0,0,0,0|0,0,2]=3 40 B11R1.40 NCC(=O)NC1=CC=NC=C1 PHBB_SC-06018 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.40 NCC(=O)NC1=NC=CC=C1 PHBB_SC-06017 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.40 N\C(CC1=CC=CC=C1)=N/O PHBB_SC-06055 [0,1,0,0,0,0|1,0,1]=3 43 B11R1.40 O=C(CS)NC1=CC=CC=C1 PHBB_SC-00200 [0,1,0,0,0,0|1,1,0]=3 44 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 PHBB_SC-01477 [0,1,0,0,0,0|0,0,2]=3 45 B11R1.91 CC(N)CCC1=CC=CC=C1 PHBB_NC-02029 [0,1,0,0,0,0|1,0,2]=4 46 B11R1.91 CC(O)C#CC1=CC=CC=C1 PHBB_SC-06989 [0,1,0,0,0,0|0,0,2]=3 47 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 PHBB_SC-04874 [0,1,0,0,0,0|0,0,2]=3 48 B11R1.91 O=C(O)C#CC1=CC=CC=C1 PHBB_SC-04745 [0,1,0,0,0,0|0,0,3]=4 49 B11R1.91 O=C(O)CCC1=CC=CC=C1 PHBB_NC-02947 [0,1,0,0,0,0|0,0,3]=4 50 B11R1.91 O=C(O)CNC1=CC=CC=C1 PHBB_NC-02179 [0,1,0,0,0,0|1,0,2]=4 51 B11R1.91 O=C(O)COC1=CC=CC=C1 PHBB_SC-04460 [0,1,0,0,0,0|1,0,2]=4 52 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 PHBB_SC-12089 [0,1,0,0,0,0|0,0,1]=2 53 B11R2.20 C1=CC2=C(C=C1)CNCC2 PHBB_NC-02990 [0,0,0,1,0,0|2,0,1]=4 54 B11R2.20 C1=CC2=C(C=C1)N=CC=C2 PHBB_SC-04864 [0,0,0,1,0,0|1,0,1]=3 55 B11R2.20 C1=CC2=CC=NC=C2C=C1 PHBB_SC-04761 [0,0,0,1,0,0|2,0,0]=3 56 B11R2.20 C1=CC=C2N=CC=NC2=C1 PHBB_SC-05048 [0,0,0,1,0,0|2,0,1]=4 57 B11R2.20 C1=CC=C2NCCCC2=C1 PHBB_SC-08476 [0,0,0,1,0,0|1,0,2]=4 58 B9R1.12 O=C\C=C\C1=CC=CO1 PHBB_NC-02318 [0,0,0,0,1,0|1,0,2]=4 59 B8R1.2 C=CC1=CC=CC=N1 PHBB_SC-03996 [2,0,0,0,0,0|1,0,0]=3 60 B8R1.2 C=CC1=CC=NC=C1 PHBB_SC-04003 [2,0,0,0,0,0|1,0,0]=3 61 B8R1.2 COC1=NC=CC=C1 PHBB_SC-05115 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.2 ClCC1=CC=CC=N1 PHBB_SC-01935 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.2 ClCC1=CC=CN=C1 PHBB_SC-01948 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.2 ClCC1=CC=NC=C1 PHBB_SC-01947 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.2 NCC1=CC=CC=N1 PHBB_SC-04231 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.2 NCC1=CN=CC=C1 PHBB_SC-12218 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.2 NNC1=CC=CC=C1 PHBB_SC-04844 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.2 O=CC1=CC=CC=N1 PHBB_SC-05238 [2,0,0,0,0,0|1,0,1]=4 69 B8R1.2 O=CC1=CC=NC=C1 PHBB_SC-04827 [2,0,0,0,0,0|1,0,1]=4 70 B8R1.2 O=CC1=CN=CC=C1 PHBB_SC-11009 [2,0,0,0,0,0|1,0,1]=4 71 B8R1.2 OCC1=CC=CC=C1 PHBB_SC-05054 [2,0,0,0,0,0|0,0,0]=2 72 B10R1.1 NCCC1=CC=C(F)C=C1 PHBB_SC-04579 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.1 NCCC1=CC=C(O)C=C1 PHBB_NC-02695 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.4 C=CCC1=CC=CC=C1O PHBB_SC-00690 [1,1,0,0,0,0|0,0,2]=4 75 B10R1.4 O\N=C\C1=CC=CC=C1O PHBB_SC-04004 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.10 CNCC1=CC(N)=CC=C1 PHBB_SC-05978 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.10 NCCC1=CC(F)=CC=C1 PHBB_SC-05860 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.15 CCC(=O)C1=CC=CC=C1 PHBB_SC-08413 [1,1,0,0,0,0|0,0,1]=3 79 B10R1.15 COC(=O)C1=CC=CC=C1 PHBB_SC-05154 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.15 COC(=O)C1=CN=CC=C1 PHBB_SC-04459 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.15 NCC(=O)C1=CC=CC=C1 PHBB_NC-03457 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.15 N\C(=N/O)C1=CC=CC=C1 PHBB_SC-11990 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.15 N\C(=N/O)C1=CC=CN=C1 PHBB_SC-06054 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.15 N\C(=N/O)C1=CC=NC=C1 PHBB_SC-06053 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.15 N\C(=N/O)C1=NC=CC=C1 PHBB_SC-11985 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.18 CC(=O)NC1=CN=CC=C1 PHBB_SC-09615 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.18 N=C(N)CC1=CC=CC=C1 PHBB_SC-08622 [1,1,0,0,0,0|1,0,1]=4 88 B10R1.18 NC(=S)NC1=CC=CC=C1 PHBB_SC-04815 [1,1,0,0,0,0|1,1,0]=4 89 B10R1.18 O=C(Cl)CC1=CC=CC=C1 PHBB_SC-04855 [1,1,0,0,0,0|0,0,2]=4 90 B10R1.18 O=C(Cl)OC1=CC=CC=C1 PHBB_SC-04902 [1,1,0,0,0,0|1,0,1]=4 91 B10R1.66 O=C(O)\C=C\C1=CC=CO1 PHBB_NC-02375 [0,1,0,0,1,0|1,0,1]=4 92 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 PHBB_SC-05019 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 PHBB_SC-00122 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 PHBB_SC-05126 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.16 O=C\C=C(/Cl)C1=CC=C(F)C=C1 PHBB_SC-08659 [0,2,0,0,0,0|0,0,2]=4 96 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 PHBB_NC-01994 [0,2,0,0,0,0|0,0,1]=3 97 B12R1.49 N\C(CC1=CC=C(Cl)C=C1)=N/O PHBB_SC-06056 [0,2,0,0,0,0|1,0,1]=4 98 B12R1.30 CCCCC(=O)C1=CC=CC=C1 PHBB_SC-05040 [0,2,0,0,0,0|1,0,1]=4 99 B12R1.34 CN(C(=O)CN)C1=CC=CC=C1 PHBB_SC-05689 [0,2,0,0,0,0|2,0,0]=4 100 B12R1.308 CCOC(=O)C1=CC=CC=C1N PHBB_SC-05196 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 PHBB_NC-02010 [0,2,0,0,0,0|0,0,1]=3 102 B12R1.371 NCC(=O)NC1=CC=CC=C1Cl PHBB_SC-05845 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.50 NCC(=O)NC1=CC=CC(Cl)=C1 PHBB_SC-05652 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 PHBB_NC-01993 [0,2,0,0,0,0|0,0,1]=3 105 B12R1.27 N\C(COC1=CC=CC=C1)=N/O PHBB_SC-09407 [0,2,0,0,0,0|1,0,1]=4 106 B12R1.32 CCOC(=O)NC1=CC=CC=C1 PHBB_SC-04821 [0,2,0,0,0,0|2,0,0]=4 107 B12R1.32 NCCC(=O)NC1=CC=CC=C1 PHBB_SC-08941 [0,2,0,0,0,0|1,0,1]=4 108 B12R1.252 O=C(O)CSCC1=CC=CC=C1 PHBB_SC-04791 [0,2,0,0,0,0|1,0,1]=4 109 B12R1.252 O=C([O-])\C=C\SC1=CC=CC=C1 PHBB_SC-00182 [0,2,0,0,0,0|0,0,2]=4 110 B10R2.6 C1=CC=C(C2CO2)C=C1 PHBB_NC-02009 [1,0,0,1,0,0|0,0,1]=3 111 B10R2.7 C1=CC2=C(C=C1)NC=C2 PHBB_NC-01977 [1,0,0,1,0,0|1,0,0]=3 112 B10R2.7 C1=CC=C2NCCC2=C1 PHBB_SC-00310 [1,0,0,1,0,0|1,0,1]=4 113 B10R2.7 C1=CN=C2NC=CC2=C1 PHBB_SC-03511 [1,0,0,1,0,0|2,0,0]=4 114 B12R2.24 ClC1=CC2=C(C=C1)N=CC=C2 PHBB_SC-04022 [0,1,0,1,0,0|1,0,1]=4 115 B12R2.24 NC1=CC2=CC=CC=C2C=C1 PHBB_SC-04782 [0,1,0,1,0,0|1,0,1]=4 116 B12R2.24 NC1=CC2=CC=CC=C2N=C1 PHBB_SC-12182 [0,1,0,1,0,0|1,0,1]=4 117 B12R2.24 NC1=CC=C2OCCOC2=C1 PHBB_SC-04605 [0,1,0,1,0,0|1,0,1]=4 118 B12R2.24 NC1=NC2=CC=CC=C2SC1 PHBB_SC-09633 [0,1,0,1,0,0|1,1,0]=4 119 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 PHBB_NC-00341 [0,1,0,1,0,0|0,0,1]=3 120 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 PHBB_NC-00687 [0,1,0,1,0,0|2,0,0]=4 121 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 PHBB_SC-11805 [0,1,0,1,0,0|1,1,0]=4 122 B12R2.24 SC1=CC=C2C=CC=CC2=C1 PHBB_SC-04789 [0,1,0,1,0,0|0,1,1]=4 123 B12R2.24 SC1=CC=C2C=CC=CC2=N1 PHBB_SC-07915 [0,1,0,1,0,0|0,1,1]=4 124 B12R2.2 C1=CC=C(C2=CC=NN2)C=C1 PHBB_SC-10662 [0,1,0,1,0,0|1,0,1]=4 125 B12R2.2 C1=CC=C(C2=NC=CN2)C=C1 PHBB_SC-05973 [0,1,0,1,0,0|1,0,1]=4 126 B12R2.2 C1=CC=C(C2=NCCN2)C=C1 PHBB_SC-03985 [0,1,0,1,0,0|1,0,1]=4 127 B12R2.2 C1=CC=C(C2=NNC=C2)C=C1 PHBB_SC-04342 [0,1,0,1,0,0|1,0,1]=4 128 B12R2.1081 NC1=C2C=CC=CC2=CC=C1 PHBB_SC-04846 [0,1,0,1,0,0|1,0,1]=4 129 B12R2.1081 NC1=C2N=CC=CC2=CC=C1 PHBB_SC-03869 [0,1,0,1,0,0|1,0,1]=4 130 B12R2.1081 NC1=CC=CC2=NC=CC=C12 PHBB_SC-03300 [0,1,0,1,0,0|1,0,1]=4 131 B12R2.1081 O=C1CCCC2=C1C=CC=C2 PHBB_SC-00363 [0,1,0,1,0,0|1,0,1]=4 132 B12R2.1081 O=C1CCOC2=C1C=CC=C2 PHBB_NC-02285 [0,1,0,1,0,0|0,0,1]=3 133 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 PHBB_SC-05292 [0,1,0,1,0,0|1,0,1]=4 134 B12R2.1081 OC1=CC=CC2=CC=CC=C12 PHBB_SC-05086 [0,1,0,1,0,0|0,0,1]=3 135 B12R2.1081 OC1=CC=CC2=CN=CC=C12 PHBB_SC-07112 [0,1,0,1,0,0|1,0,1]=4 136 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 PHBB_SC-07923 [0,1,0,1,0,0|1,0,1]=4 137 B12R2.32 ClCC1=NC2=CC=CC=C2N1 PHBB_SC-03285 [0,1,0,1,0,0|2,0,0]=4 138 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 PHBB_SC-10886 [0,1,0,1,0,0|2,0,0]=4 139 B12R2.32 NCC1=NC2=CC=CC=C2N1 PHBB_SC-04389 [0,1,0,1,0,0|2,0,0]=4 140 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 PHBB_SC-07083 [0,1,0,1,0,0|1,0,0]=3 141 B12R2.32 OCC1CC2=CC=CC=C2O1 PHBB_SC-01602 [0,1,0,1,0,0|0,0,2]=4 142 B12R2.32 SCC1=NC2=CC=CC=C2N1 PHBB_SC-03594 [0,1,0,1,0,0|1,1,0]=4 143 B12R2.196 CN1C=CC2=C(N)C=CC=C21 PHBB_NC-03688 [0,1,0,1,0,0|2,0,0]=4 144 B12R2.1 C(=O)C1=CNC2=C1C=CC=C2 PHBB_NC-00307 [0,1,0,1,0,0|0,0,2]=4 145 B12R2.1 N#CC1=CNC2=CC=CC=C12 PHBB_SC-03279 [0,1,0,1,0,0|1,0,1]=4 146 B12R2.1 OCN1C=NC2=C1C=CC=C2 PHBB_SC-03988 [0,1,0,1,0,0|1,0,0]=3 147 B12R2.2057 C1=CC=C(OCC2CO2)C=C1 PHBB_SC-04053 [0,1,0,1,0,0|0,0,2]=4 148 B12R2.18 NC1C(=O)NC2=CC=CC=C21 PHBB_NC-02944 [0,1,0,1,0,0|2,0,0]=4 149 B12R2.18 NC1C(=O)NC2=CC=CC=C21 PHBB_NC-03448 [0,1,0,1,0,0|2,0,0]=4 150 B8R1.8 O\N=C\C1=CC=CO1 PHBB_SC-04861 [1,0,0,0,1,0|2,0,0]=4