0 B14R2.781 CC(=O)C1=CC=C2C=CC=CC2=C1 PHBB_SC-04773 [0,0,0,0,0,0|0,0,0]=0 1 B14R2.781 CC(=O)C1COC2=CC=CC=C2O1 PHBB_SC-06640 [0,0,0,0,0,0|2,0,2]=4 2 B14R2.781 CN(C)C1=CC2=CC=CN=C2C=C1 PHBB_SC-06726 [0,0,0,0,0,0|3,0,0]=3 3 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 PHBB_NC-01322 [0,0,0,0,0,0|2,0,1]=3 4 B14R2.781 O=C(O)C1=CC=C2C=CC=CC2=N1 PHBB_SC-02962 [0,0,0,0,0,0|2,0,0]=2 5 B14R2.781 O=C(O)C1=CC=C2N=CC=CC2=C1 PHBB_NC-01697 [0,0,0,0,0,0|2,0,0]=2 6 B14R2.781 O=C(O)C1=CC=C2N=CC=NC2=C1 PHBB_SC-10337 [0,0,0,0,0,0|3,0,0]=3 7 B13R2.57 COC1=CC2=CC=CN=C2C=C1 PHBB_NC-03014 [1,0,0,0,0,0|2,0,0]=3 8 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 PHBB_NC-01714 [1,0,0,0,0,0|1,0,0]=2 9 B13R2.57 O=CC1=NC2=CC=CC=C2C=C1 PHBB_NC-01728 [1,0,0,0,0,0|1,0,0]=2 10 B13R2.57 O=CC1=NC2=CC=CC=C2N=C1 PHBB_SC-01020 [1,0,0,0,0,0|2,0,0]=3 11 B15R2.627 CC(=O)C1=C(O)C2=C(C=CC=C2)C=C1 PHBB_SC-05193 [0,1,0,0,0,0|0,0,0]=1 12 B15R2.627 NC1=C(C(=O)O)C=NC2=CC=CC=C21 PHBB_NC-02066 [0,1,0,0,0,0|2,0,0]=3 13 B15R2.627 O=C(O)C1=C(O)C2=CC=CC=C2N=C1 PHBB_NC-01833 [0,1,0,0,0,0|2,0,0]=3 14 B15R2.627 O=C(O)C1=C(O)C2=CN=CC=C2N=C1 PHBB_SC-11739 [0,1,0,0,0,0|3,0,0]=4 15 B15R2.627 O=C(O)C1=CC=C2C=CC=CC2=C1O PHBB_SC-08461 [0,1,0,0,0,0|1,0,0]=2 16 B15R2.627 O=C(O)C1=CN=C2C=CC=CN2C1=O PHBB_SC-10111 [0,1,0,0,0,0|3,0,0]=4 17 B15R2.984 CC(=O)C1=CC2=CC=CC=C2OC1=O PHBB_SC-03574 [0,1,0,0,0,0|1,0,0]=2 18 B15R2.984 CC1=C(C(=O)O)SC2=CC=CC=C2N1 PHBB_SC-07984 [0,1,0,0,0,0|3,0,0]=4 19 B15R2.984 O=C(O)C1=C(O)C=C2C=CC=CC2=C1 PHBB_SC-05152 [0,1,0,0,0,0|1,0,0]=2 20 B15R2.984 O=C(O)C1=CC2=C(C=CC=C2)OC1=O PHBB_NC-01701 [0,1,0,0,0,0|2,0,0]=3 21 B15R2.1601 COC(=O)C1=NC=C2C=CC=CC2=C1 PHBB_SC-12115 [0,1,0,0,0,0|1,0,0]=2 22 B15R2.1601 O=C(CBr)C1=CC=C2C=CC=CC2=C1 PHBB_SC-07960 [0,1,0,0,0,0|0,0,0]=1 23 B15R2.4441 O=S(=O)(Cl)C1=CC2=CC=CC=C2C=C1 PHBB_SC-08432 [0,1,0,0,0,0|2,0,0]=3 24 B15R2.14951 O=C(O)C1=CC(=O)C2=C(C=CC=C2)O1 PHBB_NC-01693 [0,1,0,0,0,0|2,0,0]=3 25 B13R1.90 COC1=C(\C=C\C(=O)Cl)C=CC=C1 PHBB_SC-07153 [0,0,1,0,0,0|2,0,1]=4 26 B13R1.90 COC1=CC=CC=C1\C=C\C(=O)O PHBB_NC-02993 [0,0,1,0,0,0|2,0,1]=4 27 B13R2.72 CC(=O)C1=CNC2=CC=CC=C21 PHBB_SC-11295 [0,0,0,0,1,0|1,0,0]=2 28 B13R2.72 O=C(O)C1=CNC2=C1C=CC=C2 PHBB_NC-03311 [0,0,0,0,1,0|2,0,0]=3 29 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 PHBB_SC-05805 [0,0,0,0,1,0|3,0,0]=4 30 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCC2 PHBB_NC-03690 [0,0,0,0,1,0|1,0,2]=4 31 B13R2.430 CC(=O)C1=CC=C2NCCC2=C1 PHBB_SC-04252 [0,0,0,0,1,0|1,0,2]=4 32 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=C2 PHBB_NC-01066 [0,0,0,0,1,0|2,0,0]=3 33 B13R2.430 O=C(O)C1=CC=C2C=CNC2=C1 PHBB_SC-01423 [0,0,0,0,1,0|2,0,0]=3 34 B13R2.430 O=C(O)C1=CC=C2N=CSC2=C1 PHBB_SC-04134 [0,0,0,0,1,0|3,0,0]=4 35 B13R2.430 O=C(O)C1=CC=C2NC=NC2=C1 PHBB_SC-03363 [0,0,0,0,1,0|3,0,0]=4 36 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)O1 PHBB_SC-12187 [0,0,0,0,1,0|1,0,0]=2 37 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 PHBB_NC-03173 [0,0,0,0,1,0|1,0,0]=2 38 B13R2.435 CC(=O)C1=NC2=CC=CC=C2N1 PHBB_SC-01492 [0,0,0,0,1,0|2,0,0]=3 39 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 PHBB_NC-03312 [0,0,0,0,1,0|2,0,0]=3 40 B13R2.435 O=C(O)C1=CC2=CC=CC=C2O1 PHBB_NC-02754 [0,0,0,0,1,0|2,0,0]=3 41 B12R1.71 C(=O)C1=CC=C(OCC=C)C=C1 PHBB_NC-00689 [1,0,1,0,0,0|1,0,1]=4 42 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 PHBB_NC-02010 [1,0,1,0,0,0|2,0,0]=4 43 B12R1.252 O=C([O-])\C=C\SC1=CC=CC=C1 PHBB_SC-00182 [1,0,1,0,0,0|2,0,0]=4 44 B12R2.24 ClC1=CC2=C(C=C1)N=CC=C2 PHBB_SC-04022 [2,0,0,0,0,0|2,0,0]=4 45 B12R2.24 NC1=CC2=CC=CC=C2C=C1 PHBB_SC-04782 [2,0,0,0,0,0|1,0,0]=3 46 B12R2.24 NC1=CC2=CC=CC=C2N=C1 PHBB_SC-12182 [2,0,0,0,0,0|2,0,0]=4 47 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 PHBB_NC-00341 [2,0,0,0,0,0|1,0,0]=3 48 B12R2.24 SC1=CC=C2C=CC=CC2=C1 PHBB_SC-04789 [2,0,0,0,0,0|0,1,0]=3 49 B12R2.24 SC1=CC=C2C=CC=CC2=N1 PHBB_SC-07915 [2,0,0,0,0,0|1,1,0]=4 50 B14R1.4522 O=C(O)\C=C\C1=C(C(=O)O)C=CC=C1 PHBB_NC-02383 [0,1,1,0,0,0|2,0,0]=4 51 B14R2.112 NCCC1=CC=C2C=CC=CC2=C1 PHBB_SC-10055 [1,1,0,0,0,0|0,0,1]=3 52 B14R2.142 O=CC1=NC2=C(Cl)C=CC=C2C=C1 PHBB_SC-01227 [1,1,0,0,0,0|1,0,0]=3 53 B14R2.1128 CC1OC2=CC=CC=C2C=C1C=O PHBB_NC-00929 [1,1,0,0,0,0|1,0,1]=4 54 B14R2.1128 O=CC1=CC2=C(C=CC=C2)N=C1Cl PHBB_SC-01837 [1,1,0,0,0,0|1,0,0]=3 55 B14R2.1128 O=CC1=CC2=CC=CC=C2N=C1I PHBB_SC-10745 [1,1,0,0,0,0|1,0,0]=3 56 B14R2.1128 O=CC1=CC2=CC=CC=C2NC1=O PHBB_SC-10741 [1,1,0,0,0,0|1,0,0]=3 57 B14R2.1801 COC1=CC=C2C(N)=CC=NC2=C1 PHBB_SC-10119 [1,1,0,0,0,0|2,0,0]=4 58 B14R2.2332 COC1=CC2=CC=C(C)N=C2C=C1 PHBB_SC-00230 [1,1,0,0,0,0|2,0,0]=4 59 B14R2.95 CCC(=O)C1=CNC2=C1C=CC=C2 PHBB_SC-01037 [0,1,0,0,1,0|1,0,0]=3 60 B14R2.95 COC(=O)C1=CNC2=C1C=CC=C2 PHBB_SC-01844 [0,1,0,0,1,0|1,0,0]=3 61 B14R2.95 COC(=O)C1=CNC2=NC=CC=C12 PHBB_SC-10217 [0,1,0,0,1,0|2,0,0]=4 62 B14R2.95 O=C(CCl)C1=CNC2=C1C=CC=C2 PHBB_SC-06646 [0,1,0,0,1,0|1,0,0]=3 63 B14R2.25733 CC(=O)N1CC(=O)C2=CC=CC=C21 PHBB_NC-01935 [0,1,0,0,1,0|1,0,1]=4 64 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=N2 PHBB_SC-10437 [0,1,0,0,1,0|2,0,0]=4 65 B14R2.5719 CN1C=CC2=C1C=CC(C(=O)O)=C2 PHBB_SC-11657 [0,1,0,0,1,0|2,0,0]=4 66 B14R2.24358 CN1C=CC2=CC=C(C(=O)O)C=C21 PHBB_NC-02956 [0,1,0,0,1,0|2,0,0]=4 67 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 PHBB_SC-06913 [0,1,0,0,1,0|2,0,0]=4 68 B14R2.450 CN1C(C(=O)O)=CC2=CC=CC=C21 PHBB_SC-11656 [0,1,0,0,1,0|2,0,0]=4 69 B14R2.450 O=C(Cl)C1=C(Cl)C2=CC=CC=C2S1 PHBB_SC-09128 [0,1,0,0,1,0|2,0,0]=4 70 B14R2.450 O=C(O)C1=C(Cl)C2=CC=CC=C2S1 PHBB_SC-00583 [0,1,0,0,1,0|2,0,0]=4 71 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 PHBB_SC-00012 [0,1,0,0,1,0|1,0,0]=3 72 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)=C2 PHBB_NC-02384 [0,1,0,0,1,0|2,0,0]=4 73 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 PHBB_NC-03338 [0,1,0,0,1,0|2,0,0]=4 74 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)N1 PHBB_SC-10278 [0,1,0,0,1,0|2,0,0]=4 75 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2O1 PHBB_SC-03325 [0,1,0,0,1,0|2,0,0]=4 76 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2O1 PHBB_SC-04586 [0,1,0,0,1,0|2,0,0]=4 77 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2S1 PHBB_SC-10013 [0,1,0,0,1,0|2,0,0]=4 78 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2N1 PHBB_NC-02138 [0,1,0,0,1,0|2,0,0]=4 79 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2S1 PHBB_SC-10012 [0,1,0,0,1,0|2,0,0]=4 80 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2S1 PHBB_SC-10336 [0,1,0,0,1,0|2,0,0]=4 81 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2N1 PHBB_SC-08846 [0,1,0,0,1,0|2,0,0]=4 82 B16R2.3989 CC(=O)CC1=NC2=CC=CC=C2NC1=O PHBB_SC-08257 [0,1,0,0,0,1|2,0,0]=4 83 B16R2.12044 NC1=C(C(=O)O)C=NC2=CC=C(Cl)C=C21 PHBB_SC-04187 [0,2,0,0,0,0|2,0,0]=4 84 B16R2.12044 NC1=C(C(=O)O)C=NC2=CC=C(F)C=C21 PHBB_SC-04262 [0,2,0,0,0,0|2,0,0]=4 85 B16R2.12044 NC1=CC=C2N=CC(C(=O)O)=C(O)C2=C1 PHBB_NC-01898 [0,2,0,0,0,0|2,0,0]=4 86 B16R2.12044 O=C(O)C1=C(O)C2=CC(Cl)=CC=C2N=C1 PHBB_SC-08072 [0,2,0,0,0,0|2,0,0]=4 87 B16R2.22861 NC1=C(C(=O)O)C=NC2=C(Cl)C=CC=C12 PHBB_SC-04186 [0,2,0,0,0,0|2,0,0]=4 88 B16R2.22861 NC1=C(C(=O)O)C=NC2=C(F)C=CC=C12 PHBB_SC-08126 [0,2,0,0,0,0|2,0,0]=4 89 B16R2.22861 O=C(O)C1=C(O)C2=CC=CC(Br)=C2N=C1 PHBB_NC-03030 [0,2,0,0,0,0|2,0,0]=4 90 B16R2.22861 O=C(O)C1=C(O)C2=CC=CC(Cl)=C2N=C1 PHBB_SC-08054 [0,2,0,0,0,0|2,0,0]=4 91 B16R2.22861 O=C(O)C1=C(O)C2=CC=CC(F)=C2N=C1 PHBB_SC-04188 [0,2,0,0,0,0|2,0,0]=4 92 B16R2.23331 CN1C=C(C(=O)O)C(=O)C2=CC=CC=C21 PHBB_NC-03132 [0,2,0,0,0,0|2,0,0]=4 93 B16R2.23372 O=C(O)C1=C(O)C2=CC=CC=C2NC1=O PHBB_NC-03423 [0,2,0,0,0,0|2,0,0]=4 94 B16R2.133456 O=C(O)C1=C(O)C2=CC=C(Cl)C=C2N=C1 PHBB_SC-04425 [0,2,0,0,0,0|2,0,0]=4 95 B16R2.1612 COC1=C(C(=O)O)C=C2C=CC=CC2=C1 PHBB_SC-03984 [0,2,0,0,0,0|1,0,0]=3 96 B16R2.23520 CC(=O)C1=CC2=CC=C(O)C=C2OC1=O PHBB_NC-02667 [0,2,0,0,0,0|1,0,0]=3 97 B16R2.33941 O=C(CBr)C1=CC2=CC=CC=C2OC1=O PHBB_SC-09847 [0,2,0,0,0,0|1,0,0]=3 98 B16R2.126889 O=C(O)C1=CC2=C(C=C1O)C(O)=CC=C2 PHBB_NC-00725 [0,2,0,0,0,0|1,0,0]=3 99 B16R2.33887 COC(=O)C1=CC(=O)C2=CC=CC=C2O1 PHBB_NC-03034 [0,2,0,0,0,0|1,0,0]=3 100 B16R2.7486 COC1=CC2=C(C=C1)C=C(C(C)=O)C=C2 PHBB_SC-12216 [0,2,0,0,0,0|0,0,0]=2 101 B16R2.23501 O=C(O)C1=CC(=O)C2=C(C=CC(Br)=C2)O1 PHBB_SC-07475 [0,2,0,0,0,0|2,0,0]=4 102 B16R2.23501 O=C(O)C1=CC(=O)C2=C(C=CC(Cl)=C2)O1 PHBB_SC-02988 [0,2,0,0,0,0|2,0,0]=4 103 B16R2.26112 CC1=NC2=CC=C(C(=O)O)C=C2C(N)=C1 PHBB_NC-03335 [0,2,0,0,0,0|2,0,0]=4 104 B16R2.26112 CC1=NC2=CC=C(C(=O)O)C=C2C(O)=C1 PHBB_NC-01822 [0,2,0,0,0,0|2,0,0]=4 105 B16R2.40082 COC1=C2C=CC=CC2=NC(C(=O)O)=C1 PHBB_NC-02920 [0,2,0,0,0,0|2,0,0]=4 106 B14R2.31359 CC(=O)C1=CC=CC2=C1C=CC=C2 PHBB_SC-08406 [0,0,1,1,0,0|0,0,0]=2 107 B14R2.31359 O=C(O)C1=C2C=CC=NC2=CC=C1 PHBB_NC-03251 [0,0,1,1,0,0|2,0,0]=4 108 B12R2.1 C(=O)C1=CNC2=C1C=CC=C2 PHBB_NC-00307 [1,0,0,0,1,0|1,0,0]=3 109 B12R2.1 O=CC1=CNC2=NC=CC=C12 PHBB_SC-04633 [1,0,0,0,1,0|2,0,0]=4 110 B12R2.32 O=CC1=NC2=CC=CC=C2N1 PHBB_SC-09909 [1,0,0,0,1,0|2,0,0]=4 111 B12R2.44 COC1=CC2=C(C=C1)NC=C2 PHBB_NC-01727 [1,0,0,0,1,0|2,0,0]=4 112 B12R2.44 O=CC1=CC=C2C=CNC2=C1 PHBB_SC-07673 [1,0,0,0,1,0|1,0,0]=3 113 B12R2.44 O=CC1=CC=C2NC=CC2=C1 PHBB_SC-03488 [1,0,0,0,1,0|1,0,0]=3 114 B14R1.818 CC(\C=C/C1=CC=CC=C1)=C\C(=O)[O-] PHBB_NC-00570 [0,0,1,0,0,1|1,0,1]=4 115 B14R1.549 C(=O)\C(=C/C1=CC=CC=C1)CC(=C)C PHBB_SC-01097 [0,0,1,0,0,1|2,0,0]=4 116 B14R2.1008 CC(=O)NC1=CC=C2C=CNC2=C1 PHBB_SC-08915 [0,0,0,0,1,1|1,0,0]=3