0 B7R0.6 CC(=O)C=CC(C)C PHBB_NC-02934 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.6 CC(=O)CCC(=O)O PHBB_SC-00197 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.6 CC(=O)CCC(C)=O PHBB_SC-08414 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.6 CC(=O)\C=C\N(C)C PHBB_SC-04066 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.6 CC(C)COC(=O)Cl PHBB_SC-04950 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.6 CC(C)OCC(=O)O PHBB_SC-03839 [0,0,0,0,0,0|1,0,1]=2 6 B7R0.6 N=C(N)SCC(=O)O PHBB_SC-04774 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.6 O=C(O)C#CC(=O)O PHBB_SC-04754 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.6 O=C([O-])C#CC(=O)O PHBB_SC-05165 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.4 C=CCCC(=O)O PHBB_NC-03019 [1,0,0,0,0,0|0,0,2]=3 10 B6R0.4 CCCCC(=O)Cl PHBB_SC-04938 [1,0,0,0,0,0|1,0,2]=4 11 B6R0.4 CCCCC(C)=O PHBB_SC-04978 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.4 CC\C=C\C(=O)O PHBB_NC-03021 [1,0,0,0,0,0|0,0,2]=3 13 B6R0.4 CN(C)CCCO PHBB_SC-04894 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.4 NCCCC(=O)O PHBB_NC-03308 [1,0,0,0,0,0|1,0,2]=4 15 B8R0.9 COC(=O)CCC(C)=O PHBB_SC-05206 [0,1,0,0,0,0|1,0,1]=3 16 B8R0.9 NCC(=O)NCC(=O)O PHBB_NC-03794 [0,1,0,0,0,0|2,0,0]=3 17 B8R0.9 O=C(O)CNC(=O)CCl PHBB_SC-06941 [0,1,0,0,0,0|2,0,0]=3 18 B8R0.23 C=C(CC(=O)O)C(=O)O PHBB_NC-03018 [0,1,0,0,0,0|2,0,0]=3 19 B8R0.23 CC(=O)NC(C)C(=O)O PHBB_NC-00218 [0,1,0,0,0,0|2,0,0]=3 20 B8R0.23 CC(C)C[C@H](N)C(N)=O PHBB_NC-02069 [0,1,0,0,0,0|1,0,2]=4 21 B8R0.23 CN(CC(=O)O)C(=N)N PHBB_NC-02044 [0,1,0,0,0,0|3,0,0]=4 22 B8R0.23 C[C@H](NC(N)=O)C(=O)O PHBB_NC-03091 [0,1,0,0,0,0|3,0,0]=4 23 B8R0.23 O=C(O)CC(S)C(=O)O PHBB_SC-05179 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O PHBB_NC-01974 [0,1,0,0,0,0|2,0,1]=4 25 B8R1.3 CC1CCC(=O)CC1 PHBB_SC-04943 [0,0,0,1,0,0|1,0,2]=4 26 B8R1.3 O=C1CCC(=O)CC1 PHBB_SC-08332 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.3 O=C1CNC(=O)CN1 PHBB_NC-00095 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.23 O=C1CC(C(=O)O)C1 PHBB_SC-05459 [0,0,0,1,0,0|1,0,1]=3 29 B6R0.2 CC(=O)C=C(C)C PHBB_NC-02001 [0,0,0,0,1,0|1,0,0]=2 30 B6R0.2 CC(C)=CC(=O)Cl PHBB_SC-08458 [0,0,0,0,1,0|1,0,0]=2 31 B6R0.2 CC(C)CC(=O)Cl PHBB_SC-08426 [0,0,0,0,1,0|1,0,1]=3 32 B6R0.2 CC(C)CC(=O)O PHBB_NC-02034 [0,0,0,0,1,0|0,0,1]=2 33 B6R0.2 CC(O)CC(=O)O PHBB_NC-02996 [0,0,0,0,1,0|1,0,1]=3 34 B6R0.2 CN(C)CC(=O)O PHBB_SC-04767 [0,0,0,0,1,0|1,0,0]=2 35 B6R0.2 CN(C)CC(N)=S PHBB_SC-01458 [0,0,0,0,1,0|2,1,0]=4 36 B8R0.28 CC(=O)CCC=C(C)C PHBB_NC-00154 [0,0,0,0,0,1|1,0,0]=2 37 B8R0.28 CN(C)CCCC(=O)O PHBB_SC-06113 [0,0,0,0,0,1|1,0,1]=3 38 B8R0.28 O=C(O)CNCC(=O)O PHBB_SC-09585 [0,0,0,0,0,1|2,0,1]=4 39 B5R0.1 C=C(C)CCO PHBB_NC-02008 [2,0,0,0,0,0|0,0,2]=4 40 B5R0.1 C=COC(C)=O PHBB_SC-12106 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.1 CC(=O)CCO PHBB_SC-08418 [2,0,0,0,0,0|1,0,1]=4 42 B5R0.1 CC(C)=CCO PHBB_NC-02002 [2,0,0,0,0,0|0,0,0]=2 43 B5R0.1 CC(C)CC=O PHBB_NC-03017 [2,0,0,0,0,0|0,0,1]=3 44 B5R0.1 CCCC(=O)Cl PHBB_SC-04929 [2,0,0,0,0,0|1,0,1]=4 45 B5R0.1 CNCC(=O)O PHBB_NC-02026 [2,0,0,0,0,0|1,0,0]=3 46 B5R0.1 CNCC(N)=O PHBB_NC-02184 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.1 COCC(=O)Cl PHBB_SC-11015 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.1 C\C=C\C(=O)Cl PHBB_SC-04788 [2,0,0,0,0,0|1,0,0]=3 49 B5R0.1 C\C=C\C(=O)O PHBB_NC-02030 [2,0,0,0,0,0|0,0,0]=2 50 B5R0.1 N#CCC(=O)O PHBB_SC-05140 [2,0,0,0,0,0|1,0,1]=4 51 B5R0.1 NCCC(=O)O PHBB_SC-11806 [2,0,0,0,0,0|1,0,1]=4 52 B5R0.1 O=C(O)CCCl PHBB_SC-05013 [2,0,0,0,0,0|1,0,1]=4 53 B5R0.2 CCCCC=O PHBB_NC-02017 [2,0,0,0,0,0|0,0,2]=4 54 B7R0.2 COC(=O)CC(C)=O PHBB_SC-04942 [1,1,0,0,0,0|2,0,0]=4 55 B7R0.3 CO\C=C\C(=O)OC PHBB_NC-01816 [1,1,0,0,0,0|1,0,1]=4 56 B7R0.4 CCC\C=C/C(=O)O PHBB_NC-01804 [1,1,0,0,0,0|0,0,2]=4 57 B7R0.4 C\C=C\C=C\C(=O)O PHBB_NC-00670 [1,1,0,0,0,0|0,0,1]=3 58 B7R0.4 NCCCCC(=O)O PHBB_NC-02991 [1,1,0,0,0,0|0,0,2]=4 59 B7R0.9 CC(=O)CC(C)(C)O PHBB_NC-02018 [0,1,0,0,1,0|1,0,1]=4 60 B7R0.16 CC(=O)C(Cl)C(C)=O PHBB_SC-05194 [0,1,0,0,1,0|2,0,0]=4 61 B7R0.16 CC(C(=O)O)C(=O)O PHBB_SC-08329 [0,1,0,0,1,0|2,0,0]=4 62 B7R0.16 CC(C)C(Br)C(=O)O PHBB_SC-00103 [0,1,0,0,1,0|0,0,1]=3 63 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O PHBB_SC-06218 [0,1,0,0,1,0|1,0,1]=4 64 B9R0.1 C=CC(=C)CCC=C(C)C PHBB_NC-03795 [0,1,0,0,0,1|2,0,0]=4 65 B9R0.1 COC(=O)CCNC(C)C PHBB_SC-11461 [0,1,0,0,0,1|0,0,2]=4 66 B9R0.7 O=C(O)CCC(=O)C(=O)O PHBB_NC-02047 [0,1,0,0,0,1|2,0,0]=4 67 B9R0.53 CC(=O)CC(=O)OC(C)C PHBB_SC-08423 [0,1,0,0,0,1|1,0,1]=4 68 B9R0.53 C\C(=C/C(=O)O)CC(=O)O PHBB_NC-03304 [0,1,0,0,0,1|2,0,0]=4 69 B9R0.53 O=C(O)CC(=O)CC(=O)O PHBB_NC-02012 [0,1,0,0,0,1|2,0,0]=4 70 B9R0.23 COC(=O)C(=O)CC(C)=O PHBB_SC-01143 [0,2,0,0,0,0|2,0,0]=4 71 B9R0.23 COC(=O)[C@@H](N)CC(C)C PHBB_NC-01591 [0,2,0,0,0,0|0,0,2]=4 72 B9R0.43 CCN(CC)CCC(=O)O PHBB_SC-09067 [0,2,0,0,0,0|1,0,1]=4 73 B9R0.48 CCOC(=O)CCC(C)=O PHBB_SC-04898 [0,2,0,0,0,0|1,0,1]=4 74 B9R0.48 COCC(=O)NCC(=O)O PHBB_SC-10397 [0,2,0,0,0,0|2,0,0]=4 75 B7R1.2 CC1=NNC(=O)C1 PHBB_SC-04982 [1,0,0,1,0,0|2,0,0]=4 76 B7R1.2 CC1CCC(=O)O1 PHBB_SC-05085 [1,0,0,1,0,0|0,0,2]=4 77 B7R1.2 O=C1CCC(=O)C1 PHBB_SC-04522 [1,0,0,1,0,0|1,0,1]=4 78 B7R1.14 O=S1(=O)CC=CC1 PHBB_SC-03986 [1,0,0,1,0,0|1,0,1]=4 79 B7R1.18 O=C(O)C1CCC1 PHBB_SC-04033 [1,0,0,1,0,0|0,0,2]=4 80 B7R1.18 O=C(O)C1CNC1 PHBB_SC-12123 [1,0,0,1,0,0|1,0,1]=4 81 B9R1.35 CC1=NC(C(=O)O)=CO1 PHBB_SC-08519 [0,0,0,1,0,1|1,0,1]=4 82 B9R1.133 O=S1(=O)CC=C(CBr)C1 PHBB_SC-11171 [0,1,0,1,0,0|1,0,1]=4 83 B5R0.5 C=C(C)C(=O)Cl PHBB_SC-00039 [0,0,0,0,2,0|1,0,1]=4 84 B5R0.5 C=C(C)C(=O)O PHBB_NC-01983 [0,0,0,0,2,0|0,0,1]=3 85 B5R0.5 C=C(C)C(N)=O PHBB_SC-04926 [0,0,0,0,2,0|1,0,1]=4 86 B5R0.5 CC(=O)C(=O)O PHBB_SC-05182 [0,0,0,0,2,0|1,0,0]=3 87 B5R0.5 CC(=O)C(C)=O PHBB_SC-05922 [0,0,0,0,2,0|2,0,0]=4 88 B5R0.5 CC(C)C(=O)Cl PHBB_SC-11808 [0,0,0,0,2,0|1,0,1]=4 89 B5R0.5 CC(C)C(=O)O PHBB_SC-04925 [0,0,0,0,2,0|0,0,1]=3 90 B5R0.5 CC(S)C(=O)O PHBB_SC-06200 [0,0,0,0,2,0|1,0,1]=4 91 B5R0.5 CN(C)C(=O)Cl PHBB_SC-11014 [0,0,0,0,2,0|2,0,0]=4 92 B5R0.5 C[C@H](O)C(=O)O PHBB_NC-03024 [0,0,0,0,2,0|1,0,1]=4