0 B11R1.16 CC(N=C=S)C1=CC=CC=C1 PHBB_SC-01379 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.16 CCCC(=O)C1=CC=CC=C1 PHBB_SC-08436 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.16 CCOC(=O)C1=CC=CC=C1 PHBB_SC-05056 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.16 N#CCC(=O)C1=CC=CC=C1 PHBB_SC-08028 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.15 CCC(=O)C1=CC=CC=C1 PHBB_SC-08413 [1,0,0,0,0,0|1,0,1]=3 5 B10R1.15 COC(=O)C1=CC=CC=C1 PHBB_SC-05154 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.15 NCC(=O)C1=CC=CC=C1 PHBB_NC-03457 [1,0,0,0,0,0|1,0,1]=3 7 B10R1.17 BrCCCC1=CC=CC=C1 PHBB_SC-08397 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.17 CCCNC1=CC=CC=C1 PHBB_SC-00131 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.17 CCNCC1=CC=CC=C1 PHBB_SC-05041 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.17 CNCCC1=NC=CC=C1 PHBB_SC-02540 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.17 NCCCC1=CC=CC=C1 PHBB_NC-02946 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.17 NCCOC1=CC=CC=C1 PHBB_SC-08509 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.17 NCCSC1=CC=CC=C1 PHBB_SC-09180 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.17 OCCNC1=CC=CC=C1 PHBB_SC-05134 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.17 OCCOC1=CC=CC=C1 PHBB_SC-01850 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.17 S=C=NCC1=CC=CC=C1 PHBB_SC-04723 [1,0,0,0,0,0|3,0,0]=4 17 B12R1.16 CNC[C@H](O)C1=CC=C(O)C=C1 PHBB_NC-03323 [0,1,0,0,0,0|1,0,0]=2 18 B12R1.17 [C@@H](O)(CNC)C1=CC=CC(O)=C1 PHBB_NC-02233 [0,1,0,0,0,0|1,0,0]=2 19 B12R1.30 CCCCC(=O)C1=CC=CC=C1 PHBB_SC-05040 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.30 CN(CCCN)C1=CC=CC=C1 PHBB_SC-08511 [0,1,0,0,0,0|2,0,0]=3 21 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 PHBB_NC-01733 [0,1,0,0,0,0|1,0,0]=2 22 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 PHBB_NC-02032 [0,1,0,0,0,0|2,0,1]=4 23 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 PHBB_SC-01239 [0,1,0,0,0,0|2,0,1]=4 24 B12R1.107 CC(=O)CC(O)C1=NC=CC=C1 PHBB_NC-02252 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 PHBB_NC-01892 [0,1,0,0,0,0|3,0,0]=4 26 B12R2.1081 O=C1CCCC2=C1C=CC=C2 PHBB_SC-00363 [0,0,0,1,0,0|2,0,1]=4 27 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 PHBB_SC-07923 [0,0,0,1,0,0|2,0,1]=4 28 B12R1.32 CN(CC#N)CC1=CC=CC=C1 PHBB_SC-09013 [0,0,0,0,0,1|3,0,0]=4 29 B12R1.32 CNCC(=O)NC1=CC=CN=C1 PHBB_SC-04332 [0,0,0,0,0,1|2,0,1]=4 30 B9R1.6 CN(C)C1=CC=NC=C1 PHBB_SC-05221 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.6 C[C@@H](N)C1=CC=CC=C1 PHBB_NC-02025 [2,0,0,0,0,0|0,0,0]=2 32 B9R1.6 N=C(N)C1=CC=CC=C1 PHBB_SC-05168 [2,0,0,0,0,0|1,0,1]=4 33 B9R1.8 BrCCC1=CC=CC=C1 PHBB_SC-05006 [2,0,0,0,0,0|1,0,0]=3 34 B9R1.8 CCNC1=CC=CC=C1 PHBB_SC-05020 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.8 CNCC1=CC=CC=C1 PHBB_SC-04966 [2,0,0,0,0,0|0,0,0]=2 36 B9R1.8 CNCC1=CC=CC=N1 PHBB_SC-10921 [2,0,0,0,0,0|1,0,0]=3 37 B9R1.8 COCC1=CC=CC=C1 PHBB_SC-05053 [2,0,0,0,0,0|1,0,0]=3 38 B9R1.8 ClCCC1=CC=CC=C1 PHBB_SC-03435 [2,0,0,0,0,0|1,0,0]=3 39 B9R1.8 NCCC1=CC=NC=C1 PHBB_SC-10402 [2,0,0,0,0,0|1,0,0]=3 40 B9R1.8 NNCC1=CC=CC=C1 PHBB_SC-04682 [2,0,0,0,0,0|1,0,0]=3 41 B9R1.8 OCCC1=NC=CC=C1 PHBB_SC-11012 [2,0,0,0,0,0|2,0,0]=4 42 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 PHBB_SC-04986 [1,1,0,0,0,0|1,0,1]=4 43 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 PHBB_SC-04969 [1,1,0,0,0,0|1,0,1]=4 44 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 PHBB_SC-05325 [1,1,0,0,0,0|1,0,1]=4 45 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 PHBB_SC-11162 [1,1,0,0,0,0|1,0,1]=4 46 B11R1.22 NCC(O)C1=CC=C(O)C=C1 PHBB_NC-01249 [1,1,0,0,0,0|1,0,0]=3 47 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 PHBB_SC-05022 [1,1,0,0,0,0|1,0,1]=4 48 B11R1.23 CNC(=O)C1=CC=CC(N)=C1 PHBB_SC-05330 [1,1,0,0,0,0|1,0,1]=4 49 B11R1.23 NCC(O)C1=CC(O)=CC=C1 PHBB_NC-02930 [1,1,0,0,0,0|1,0,0]=3 50 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 PHBB_SC-04955 [1,1,0,0,0,0|1,0,1]=4 51 B11R1.222 CNC(=O)C1=CC=CC=C1O PHBB_SC-00439 [1,1,0,0,0,0|1,0,1]=4 52 B11R1.1 CCCCC1=CC=C(N)C=C1 PHBB_SC-05042 [1,1,0,0,0,0|1,0,0]=3 53 B11R1.1 CCCOC1=CC=C(O)C=C1 PHBB_SC-04680 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.28 CCCCCC1=CC=CC=N1 PHBB_NC-00788 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.28 CNCCOC1=CC=CC=C1 PHBB_SC-05505 [1,1,0,0,0,0|0,0,0]=2 56 B11R1.28 NCCCNC1=CC=CC=C1 PHBB_SC-08510 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.28 NCCNCC1=CC=CC=C1 PHBB_SC-11016 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.28 NCCOCC1=CC=CC=C1 PHBB_SC-11922 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.28 OCCNCC1=CC=CC=C1 PHBB_SC-04015 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.28 S=C=NCCC1=CC=CC=C1 PHBB_NC-03318 [1,1,0,0,0,0|0,0,2]=4 61 B11R1.40 COC(=O)CC1=CC=CC=C1 PHBB_SC-08463 [1,1,0,0,0,0|1,0,1]=4 62 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 PHBB_SC-01477 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.91 CC(=O)CCC1=CC=CC=C1 PHBB_SC-04990 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.91 CC(N)CCC1=CC=CC=C1 PHBB_NC-02029 [1,1,0,0,0,0|1,0,0]=3 65 B11R1.91 O=C(O)CCC1=CC=CC=C1 PHBB_NC-02947 [1,1,0,0,0,0|2,0,0]=4 66 B13R1.44 CNCCC(=O)NC1=CC=CC=C1 PHBB_SC-05840 [0,1,0,0,0,1|1,0,1]=4 67 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 PHBB_NC-02084 [0,1,0,0,0,1|1,0,1]=4 68 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 PHBB_NC-02452 [0,2,0,0,0,0|2,0,0]=4 69 B13R1.466 CNCC(O)C1=CC(O)=C(O)C=C1 PHBB_NC-02591 [0,2,0,0,0,0|1,0,0]=3 70 B13R1.466 [C@H](O)(CNC)C1=CC(O)=C(O)C=C1 PHBB_NC-03766 [0,2,0,0,0,0|1,0,0]=3 71 B13R1.24 CC(NCCCO)C1=CC=CN=C1 PHBB_SC-00863 [0,2,0,0,0,0|2,0,0]=4 72 B13R1.24 CC(NCCCO)C1=NC=CC=C1 PHBB_SC-00860 [0,2,0,0,0,0|2,0,0]=4 73 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 PHBB_SC-04071 [0,2,0,0,0,0|1,0,1]=4 74 B11R2.20 C1=CC2=C(C=C1)CNCC2 PHBB_NC-02990 [1,0,0,1,0,0|0,0,0]=2 75 B11R2.20 C1=CC=C2NCCCC2=C1 PHBB_SC-08476 [1,0,0,1,0,0|2,0,0]=4 76 B13R2.26 CNCC1=NC2=CC=CC=C2N1 PHBB_SC-06163 [0,0,0,1,0,1|1,0,1]=4 77 B13R2.135 CO[C@@H]1C2=C(C=CC=C2)C[C@H]1O PHBB_NC-01135 [0,0,0,1,0,1|2,0,0]=4 78 B13R2.3 C1=CC(C2CCCCN2)=CN=C1 PHBB_NC-00220 [0,1,0,1,0,0|2,0,0]=4 79 B13R2.3 C1=CC=C(C2=CCNCC2)C=C1 PHBB_SC-07496 [0,1,0,1,0,0|0,0,1]=3 80 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 PHBB_SC-05971 [0,1,0,1,0,0|0,0,0]=2 81 B13R2.3 C1=CC=C(N2CCNCC2)C=C1 PHBB_SC-04698 [0,1,0,1,0,0|1,0,0]=3 82 B13R2.3 C1=CN=C(N2CCNCC2)C=C1 PHBB_SC-12250 [0,1,0,1,0,0|2,0,0]=4 83 B13R2.3 C1=CN=CC(C2CCCCN2)=C1 PHBB_NC-03440 [0,1,0,1,0,0|2,0,0]=4 84 B13R2.1613 NCC1OCCC2=C1C=CC=C2 PHBB_SC-07135 [0,1,0,1,0,0|2,0,0]=4 85 B13R2.12 NC1=CC=C(N2CCCC2)C=C1 PHBB_SC-09302 [0,1,0,1,0,0|2,0,0]=4 86 B13R2.13 NC1=CC=CC(N2CCCC2)=C1 PHBB_SC-04123 [0,1,0,1,0,0|2,0,0]=4 87 B13R2.3085 CN1C(=O)C(N)C2=CC=CC=C21 PHBB_SC-02296 [0,1,0,1,0,0|1,0,1]=4 88 B13R2.18 NC1=C(N2CCCC2)C=CC=C1 PHBB_SC-03865 [0,1,0,1,0,0|2,0,0]=4 89 B13R1.42 CNCC(=O)NCC1=CC=CC=C1 PHBB_SC-03831 [0,0,0,0,0,2|1,0,1]=4