0 B7R0.6 CC(=O)CCC(=O)O PHBB_SC-00197 [0,0,0,0,0,0|0,0,0]=0 1 B7R0.6 CC(=O)CCC(C)=O PHBB_SC-08414 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.6 CC(C)COC(=O)Cl PHBB_SC-04950 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.6 CC(C)OCC(=O)O PHBB_SC-03839 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.6 N=C(N)SCC(=O)O PHBB_SC-04774 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.6 O=C(O)C#CC(=O)O PHBB_SC-04754 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.6 O=C([O-])C#CC(=O)O PHBB_SC-05165 [0,0,0,0,0,0|1,0,2]=3 7 B6R0.4 C=CCCC(=O)O PHBB_NC-03019 [1,0,0,0,0,0|0,0,1]=2 8 B6R0.4 C=CCNC(N)=O PHBB_SC-04687 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.4 C=CCOC(=O)Cl PHBB_SC-04062 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.4 CC(=O)CCCCl PHBB_SC-05457 [1,0,0,0,0,0|1,0,1]=3 11 B6R0.4 CC(=O)NCCN PHBB_SC-10582 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.4 CCCCC(=O)Cl PHBB_SC-04938 [1,0,0,0,0,0|1,0,1]=3 13 B6R0.4 CCCCC(C)=O PHBB_SC-04978 [1,0,0,0,0,0|1,0,1]=3 14 B6R0.4 CC\C=C\C(=O)O PHBB_NC-03021 [1,0,0,0,0,0|0,0,3]=4 15 B6R0.4 CN(C)CCCO PHBB_SC-04894 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.4 NCCCC(=O)O PHBB_NC-03308 [1,0,0,0,0,0|1,0,1]=3 17 B6R0.4 O=C(Cl)CCCCl PHBB_SC-04914 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.9 COC(=O)CCC(C)=O PHBB_SC-05206 [0,1,0,0,0,0|0,0,0]=1 19 B8R0.9 NCC(=O)NCC(=O)O PHBB_NC-03794 [0,1,0,0,0,0|1,0,0]=2 20 B8R0.9 O=C(O)CNC(=O)CCl PHBB_SC-06941 [0,1,0,0,0,0|1,0,0]=2 21 B8R0.23 C=C(CC(=O)O)C(=O)O PHBB_NC-03018 [0,1,0,0,0,0|1,0,1]=3 22 B8R0.23 CC(=O)NC(C)C(=O)O PHBB_NC-00218 [0,1,0,0,0,0|1,0,0]=2 23 B8R0.23 CC(C)C[C@H](N)C(N)=O PHBB_NC-02069 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.23 CN(CC(=O)O)C(=N)N PHBB_NC-02044 [0,1,0,0,0,0|3,0,0]=4 25 B8R0.23 C[C@H](NC(N)=O)C(=O)O PHBB_NC-03091 [0,1,0,0,0,0|2,0,0]=3 26 B8R0.23 O=C(O)CC(S)C(=O)O PHBB_SC-05179 [0,1,0,0,0,0|1,0,0]=2 27 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O PHBB_NC-01974 [0,1,0,0,0,0|1,0,0]=2 28 B8R1.3 CC1CCC(=O)CC1 PHBB_SC-04943 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.3 O=C1CCC(=O)CC1 PHBB_SC-08332 [0,0,0,1,0,0|1,0,0]=2 30 B8R1.3 O=C1CNC(=O)CN1 PHBB_NC-00095 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.23 O=C1CC(C(=O)O)C1 PHBB_SC-05459 [0,0,0,1,0,0|0,0,0]=1 32 B6R0.2 CC(=O)C=C(C)C PHBB_NC-02001 [0,0,0,0,1,0|2,0,1]=4 33 B6R0.2 CC(=O)NC(N)=S PHBB_SC-04932 [0,0,0,0,1,0|2,1,0]=4 34 B6R0.2 CC(C)=CC(=O)Cl PHBB_SC-08458 [0,0,0,0,1,0|2,0,1]=4 35 B6R0.2 CC(C)CC(=O)Cl PHBB_SC-08426 [0,0,0,0,1,0|2,0,1]=4 36 B6R0.2 CC(C)CC(=O)O PHBB_NC-02034 [0,0,0,0,1,0|1,0,1]=3 37 B6R0.2 CC(O)CC(=O)O PHBB_NC-02996 [0,0,0,0,1,0|0,0,2]=3 38 B6R0.2 CN(C)CC(=O)O PHBB_SC-04767 [0,0,0,0,1,0|2,0,0]=3 39 B6R0.2 NC(=O)NC(N)=O PHBB_SC-00433 [0,0,0,0,1,0|3,0,0]=4 40 B8R0.28 CC(=O)CCC=C(C)C PHBB_NC-00154 [0,0,0,0,0,1|2,0,0]=3 41 B8R0.28 CN(C)CCCC(=O)O PHBB_SC-06113 [0,0,0,0,0,1|2,0,0]=3 42 B8R0.28 O=C(O)CNCC(=O)O PHBB_SC-09585 [0,0,0,0,0,1|1,0,0]=2 43 B5R0.1 C=C(C)CCO PHBB_NC-02008 [2,0,0,0,0,0|1,0,0]=3 44 B5R0.1 C=COC(C)=O PHBB_SC-12106 [2,0,0,0,0,0|1,0,1]=4 45 B5R0.1 CC(=O)CCO PHBB_SC-08418 [2,0,0,0,0,0|0,0,0]=2 46 B5R0.1 CC(C)=CCO PHBB_NC-02002 [2,0,0,0,0,0|1,0,1]=4 47 B5R0.1 CC(C)CC=O PHBB_NC-03017 [2,0,0,0,0,0|1,0,1]=4 48 B5R0.1 CC(O)CCO PHBB_SC-11802 [2,0,0,0,0,0|0,0,2]=4 49 B5R0.1 CCCC(=O)Cl PHBB_SC-04929 [2,0,0,0,0,0|1,0,0]=3 50 B5R0.1 CCCC(C)O PHBB_SC-05052 [2,0,0,0,0,0|1,0,1]=4 51 B5R0.1 CCC[N+](=O)[O-] PHBB_SC-04987 [2,0,0,0,0,0|1,0,1]=4 52 B5R0.1 CCOC(=O)Cl PHBB_SC-05103 [2,0,0,0,0,0|2,0,0]=4 53 B5R0.1 CNCC(=O)O PHBB_NC-02026 [2,0,0,0,0,0|1,0,0]=3 54 B5R0.1 CNCC(N)=O PHBB_NC-02184 [2,0,0,0,0,0|2,0,0]=4 55 B5R0.1 COCC(=O)Cl PHBB_SC-11015 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.1 C\C=C\C(=O)Cl PHBB_SC-04788 [2,0,0,0,0,0|1,0,1]=4 57 B5R0.1 C\C=C\C(=O)O PHBB_NC-02030 [2,0,0,0,0,0|0,0,1]=3 58 B5R0.1 N#CCC(=O)O PHBB_SC-05140 [2,0,0,0,0,0|1,0,1]=4 59 B5R0.1 NC(=O)CCCl PHBB_SC-05035 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.1 NCCC(=O)O PHBB_SC-11806 [2,0,0,0,0,0|1,0,0]=3 61 B5R0.1 O=C(Cl)CCBr PHBB_SC-05189 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.1 O=C(Cl)CCCl PHBB_SC-04917 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.1 O=C(O)CCCl PHBB_SC-05013 [2,0,0,0,0,0|1,0,0]=3 64 B5R0.2 CCCCC=O PHBB_NC-02017 [2,0,0,0,0,0|0,0,1]=3 65 B7R0.3 CCCCC(=O)CC PHBB_SC-05087 [1,1,0,0,0,0|1,0,1]=4 66 B7R0.3 CCCCC(=O)NN PHBB_SC-06626 [1,1,0,0,0,0|1,0,1]=4 67 B7R0.3 CNCC\C(N)=N\O PHBB_SC-11316 [1,1,0,0,0,0|2,0,0]=4 68 B7R0.3 COC(=O)CCCCl PHBB_SC-05220 [1,1,0,0,0,0|1,0,1]=4 69 B7R0.3 COCC\C(N)=N\O PHBB_SC-11992 [1,1,0,0,0,0|2,0,0]=4 70 B7R0.3 NNC(=O)CCCO PHBB_SC-02800 [1,1,0,0,0,0|1,0,1]=4 71 B7R0.4 CCCCCC(C)=O PHBB_SC-04832 [1,1,0,0,0,0|1,0,1]=4 72 B7R0.4 CCCCOC(=O)Cl PHBB_SC-04873 [1,1,0,0,0,0|1,0,1]=4 73 B7R0.4 CCC\C=C/C(=O)O PHBB_NC-01804 [1,1,0,0,0,0|0,0,2]=4 74 B7R0.4 C\C=C\C=C\C(=O)O PHBB_NC-00670 [1,1,0,0,0,0|0,0,2]=4 75 B7R0.4 NCCCCC(=O)O PHBB_NC-02991 [1,1,0,0,0,0|0,0,1]=3 76 B7R0.9 CC(=O)CC(C)(C)O PHBB_NC-02018 [0,1,0,0,1,0|1,0,1]=4 77 B7R0.16 CC(=O)C(Cl)C(C)=O PHBB_SC-05194 [0,1,0,0,1,0|1,0,0]=3 78 B7R0.16 CC(C(=O)O)C(=O)O PHBB_SC-08329 [0,1,0,0,1,0|1,0,0]=3 79 B7R0.16 CC(C)C(Br)C(=O)O PHBB_SC-00103 [0,1,0,0,1,0|1,0,1]=4 80 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O PHBB_SC-06218 [0,1,0,0,1,0|0,0,2]=4 81 B9R0.1 COC(=O)CCNC(C)C PHBB_SC-11461 [0,1,0,0,0,1|1,0,1]=4 82 B9R0.7 O=C(O)CCC(=O)C(=O)O PHBB_NC-02047 [0,1,0,0,0,1|1,0,0]=3 83 B9R0.53 C\C(=C/C(=O)O)CC(=O)O PHBB_NC-03304 [0,1,0,0,0,1|1,0,1]=4 84 B9R0.53 NN(CC(=O)O)CC(=O)O PHBB_SC-01692 [0,1,0,0,0,1|1,0,0]=3 85 B9R0.53 O=C(O)CC(=O)CC(=O)O PHBB_NC-02012 [0,1,0,0,0,1|1,0,0]=3 86 B9R0.23 COC(=O)C(=O)CC(C)=O PHBB_SC-01143 [0,2,0,0,0,0|0,0,1]=3 87 B9R0.23 COC(=O)[C@@H](N)CC(C)C PHBB_NC-01591 [0,2,0,0,0,0|1,0,1]=4 88 B9R0.43 CCN(CC)CCC(=O)O PHBB_SC-09067 [0,2,0,0,0,0|2,0,0]=4 89 B9R0.48 CCOC(=O)CCC(C)=O PHBB_SC-04898 [0,2,0,0,0,0|0,0,0]=2 90 B9R0.48 COCC(=O)NCC(=O)O PHBB_SC-10397 [0,2,0,0,0,0|1,0,0]=3 91 B9R0.10 CN(CC(=O)O)S(C)(=O)=O PHBB_SC-05279 [0,2,0,0,0,0|2,0,0]=4 92 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O PHBB_SC-04974 [0,2,0,0,0,0|1,0,0]=3 93 B9R0.79 O=C(O)C(O)C(O)C(=O)O PHBB_NC-02022 [0,2,0,0,0,0|1,0,0]=3 94 B7R1.2 CC1CCC(=O)O1 PHBB_SC-05085 [1,0,0,1,0,0|0,0,1]=3 95 B7R1.2 C[C@@H]1COC(=O)O1 PHBB_NC-03242 [1,0,0,1,0,0|1,0,1]=4 96 B7R1.2 NC1=CC(=O)CC1 PHBB_SC-08308 [1,0,0,1,0,0|1,0,1]=4 97 B7R1.2 O=C1C=C(Cl)CC1 PHBB_SC-08309 [1,0,0,1,0,0|1,0,1]=4 98 B7R1.2 O=C1CCC(=O)C1 PHBB_SC-04522 [1,0,0,1,0,0|0,0,0]=2 99 B7R1.2 O=C1CCC(=O)N1 PHBB_SC-04903 [1,0,0,1,0,0|1,0,0]=3 100 B7R1.2 O=C1CNC(=O)N1 PHBB_NC-02019 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.2 O=C1CSC(=O)N1 PHBB_SC-04941 [1,0,0,1,0,0|2,0,0]=4 102 B7R1.3 O=C1CCCCN1 PHBB_SC-04994 [1,0,0,1,0,0|1,0,1]=4 103 B7R1.3 O=C1CCNCC1 PHBB_SC-12253 [1,0,0,1,0,0|2,0,0]=4 104 B7R1.3 O=C1CCOCC1 PHBB_SC-10986 [1,0,0,1,0,0|2,0,0]=4 105 B7R1.3 O=C1CCSCC1 PHBB_SC-12254 [1,0,0,1,0,0|2,0,0]=4 106 B7R1.18 O=C(O)C1CCC1 PHBB_SC-04033 [1,0,0,1,0,0|0,0,1]=3 107 B7R1.18 O=C(O)C1CNC1 PHBB_SC-12123 [1,0,0,1,0,0|1,0,0]=3 108 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 PHBB_SC-09597 [0,0,0,1,0,1|0,0,2]=4 109 B9R1.35 O=C1CCC(C(=O)O)N1 PHBB_NC-00791 [0,0,0,1,0,1|1,0,0]=3 110 B5R0.5 C=C(C)C(=O)Cl PHBB_SC-00039 [0,0,0,0,2,0|2,0,0]=4 111 B5R0.5 C=C(C)C(=O)O PHBB_NC-01983 [0,0,0,0,2,0|1,0,0]=3 112 B5R0.5 C=C(C)C(N)=O PHBB_SC-04926 [0,0,0,0,2,0|2,0,0]=4 113 B5R0.5 CC(=O)C(=O)O PHBB_SC-05182 [0,0,0,0,2,0|0,0,0]=2 114 B5R0.5 CC(=O)C(C)=O PHBB_SC-05922 [0,0,0,0,2,0|1,0,0]=3 115 B5R0.5 CC(C)C(=O)O PHBB_SC-04925 [0,0,0,0,2,0|1,0,1]=4 116 B5R0.5 CC(S)C(=O)O PHBB_SC-06200 [0,0,0,0,2,0|0,1,1]=4 117 B5R0.5 C[C@H](O)C(=O)O PHBB_NC-03024 [0,0,0,0,2,0|0,0,2]=4 118 B5R0.5 O=C(Cl)C(=O)Cl PHBB_SC-05112 [0,0,0,0,2,0|2,0,0]=4 119 B9R0.55 O=C(O)CCCCC(=O)O PHBB_SC-05131 [0,0,0,0,0,2|1,0,0]=3