0 B5R0.5 C=C(C)C(=O)Cl PHBB_SC-00039 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.5 C=C(C)C(=O)O PHBB_NC-01983 [0,0,0,0,0,0|0,0,2]=2 2 B5R0.5 C=C(C)C(N)=O PHBB_SC-04926 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.5 CC(=O)C(=O)O PHBB_SC-05182 [0,0,0,0,0,0|1,0,1]=2 4 B5R0.5 CC(=O)C(C)=O PHBB_SC-05922 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.5 CC(C)C(=N)N PHBB_SC-09688 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.5 CC(C)C(=O)Cl PHBB_SC-11808 [0,0,0,0,0,0|1,0,0]=1 7 B5R0.5 CC(C)C(=O)O PHBB_SC-04925 [0,0,0,0,0,0|0,0,0]=0 8 B5R0.5 CC(C)[N+](=O)[O-] PHBB_SC-05100 [0,0,0,0,0,0|1,0,1]=2 9 B5R0.5 CC(O)C(N)=O PHBB_SC-05061 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.5 CC(S)C(=O)O PHBB_SC-06200 [0,0,0,0,0,0|1,0,0]=1 11 B5R0.5 CN(C)C(=O)Cl PHBB_SC-11014 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.5 CN(C)C(=S)Cl PHBB_SC-08317 [0,0,0,0,0,0|2,1,0]=3 13 B5R0.5 CN(C)C(=S)[S-] PHBB_SC-04670 [0,0,0,0,0,0|1,2,0]=3 14 B5R0.5 C[C@H](N)C(N)=O PHBB_NC-02086 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.5 C[C@H](O)C(=O)O PHBB_NC-03024 [0,0,0,0,0,0|1,0,0]=1 16 B5R0.5 N=C(/N)N(C)C PHBB_SC-08467 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.5 NC(=O)C(Cl)Cl PHBB_SC-05943 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.5 O=C(Cl)C(=O)Cl PHBB_SC-05112 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.5 O=C(Cl)C(Cl)Cl PHBB_SC-04922 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.5 O=C(O)C(Cl)Cl PHBB_SC-05023 [0,0,0,0,0,0|2,0,0]=2 21 B4R0.1 C#CC(=O)O PHBB_SC-04700 [1,0,0,0,0,0|0,0,2]=3 22 B4R0.1 C#CC(C)O PHBB_SC-04755 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 CC(=O)CCl PHBB_SC-12103 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.1 CC(=O)CO PHBB_SC-04985 [1,0,0,0,0,0|2,0,0]=3 25 B4R0.1 CC(C)C=O PHBB_SC-11309 [1,0,0,0,0,0|0,0,0]=1 26 B4R0.1 CC(C)CBr PHBB_SC-12096 [1,0,0,0,0,0|1,0,1]=3 27 B4R0.1 CC(C)CI PHBB_SC-04973 [1,0,0,0,0,0|1,0,1]=3 28 B4R0.1 CC(N)CN PHBB_SC-04768 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 CC(O)CCl PHBB_SC-05016 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 CC(O)CO PHBB_SC-05074 [1,0,0,0,0,0|1,0,1]=3 31 B4R0.1 CCC(=O)Cl PHBB_SC-04995 [1,0,0,0,0,0|1,0,0]=2 32 B4R0.1 CCC(C)=O PHBB_SC-05025 [1,0,0,0,0,0|1,0,0]=2 33 B4R0.1 CCC(C)N PHBB_SC-04843 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.1 CCC(C)O PHBB_SC-05058 [1,0,0,0,0,0|1,0,1]=3 35 B4R0.1 CNC(=N)N PHBB_SC-04744 [1,0,0,0,0,0|3,0,0]=4 36 B4R0.1 CNC(N)=O PHBB_SC-05181 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.1 COC(=N)N PHBB_SC-05157 [1,0,0,0,0,0|3,0,0]=4 38 B4R0.1 COC(=O)Cl PHBB_SC-05098 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.1 COC(N)=O PHBB_SC-04967 [1,0,0,0,0,0|2,0,0]=3 40 B4R0.1 CSC(=N)N PHBB_SC-05180 [1,0,0,0,0,0|3,0,0]=4 41 B4R0.1 C\C(N)=N\O PHBB_SC-06052 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.1 NC(=O)CCl PHBB_SC-00189 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.1 NC(=O)NO PHBB_SC-05227 [1,0,0,0,0,0|3,0,0]=4 44 B4R0.1 NNC(N)=O PHBB_SC-05160 [1,0,0,0,0,0|3,0,0]=4 45 B4R0.1 O=C(Br)CBr PHBB_SC-04910 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.1 O=C(Cl)CCl PHBB_SC-04838 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.1 O=C(O)CCl PHBB_SC-12050 [1,0,0,0,0,0|1,0,0]=2 48 B4R0.1 O=C(O)CI PHBB_SC-04669 [1,0,0,0,0,0|1,0,0]=2 49 B4R0.1 [C@H](C)(O)CN PHBB_NC-02041 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.3 CC(C)\C(N)=N\O PHBB_SC-06134 [0,1,0,0,0,0|1,0,0]=2 51 B6R0.3 CCC(Br)C(=O)O PHBB_SC-06206 [0,1,0,0,0,0|1,0,0]=2 52 B6R0.3 CNC(=O)[C@H](C)N PHBB_NC-02085 [0,1,0,0,0,0|2,0,0]=3 53 B6R0.3 COC(=O)C(C)=O PHBB_SC-04860 [0,1,0,0,0,0|1,0,1]=3 54 B6R0.3 COC(=O)[C@H](C)N PHBB_NC-01228 [0,1,0,0,0,0|1,0,0]=2 55 B6R0.3 C\C=C(/C)C(=O)O PHBB_NC-01981 [0,1,0,0,0,0|0,0,1]=2 56 B6R0.3 NC(CO)C(=O)O PHBB_SC-06219 [0,1,0,0,0,0|1,0,0]=2 57 B6R0.3 N[C@@H](CS)C(=O)O PHBB_NC-02028 [0,1,0,0,0,0|1,0,0]=2 58 B6R0.7 CC(=O)C(F)(F)F PHBB_SC-04702 [0,1,0,0,0,0|3,0,0]=4 59 B6R0.7 CC(C)(C)C(=O)Cl PHBB_SC-04833 [0,1,0,0,0,0|1,0,0]=2 60 B6R0.7 CC(C)(N)C(=O)O PHBB_SC-08466 [0,1,0,0,0,0|0,0,0]=1 61 B6R0.7 CC(C)S(=O)(=O)Cl PHBB_SC-04726 [0,1,0,0,0,0|1,0,1]=3 62 B6R0.7 CN(C)S(=O)(=O)Cl PHBB_SC-08354 [0,1,0,0,0,0|2,0,1]=4 63 B6R0.7 NC(=O)C(F)(F)F PHBB_SC-04769 [0,1,0,0,0,0|3,0,0]=4 64 B6R0.7 O=C(O)C(Cl)(Cl)Cl PHBB_SC-04866 [0,1,0,0,0,0|2,0,0]=3 65 B6R1.11 O=C(Cl)C1CC1 PHBB_SC-04727 [0,0,0,1,0,0|1,0,0]=2 66 B6R0.2 CC(=O)C=C(C)C PHBB_NC-02001 [0,0,0,0,0,1|1,0,1]=3 67 B6R0.2 CC(C)=CC(=O)Cl PHBB_SC-08458 [0,0,0,0,0,1|1,0,1]=3 68 B6R0.2 CC(C)CC(=O)Cl PHBB_SC-08426 [0,0,0,0,0,1|1,0,0]=2 69 B6R0.2 CC(C)CC(=O)O PHBB_NC-02034 [0,0,0,0,0,1|0,0,0]=1 70 B6R0.2 CC(C)OC(=S)[S-] PHBB_SC-00202 [0,0,0,0,0,1|0,2,0]=3 71 B6R0.2 CC(O)CC(=O)O PHBB_NC-02996 [0,0,0,0,0,1|1,0,0]=2 72 B6R0.2 CN(C)CC(=O)O PHBB_SC-04767 [0,0,0,0,0,1|1,0,0]=2 73 B6R0.2 CN(C)CC(N)=S PHBB_SC-01458 [0,0,0,0,0,1|2,1,0]=4 74 B3R0.1 CCCI PHBB_SC-04991 [2,0,0,0,0,0|1,0,1]=4 75 B3R0.1 CNC=O PHBB_SC-04993 [2,0,0,0,0,0|1,0,0]=3 76 B3R0.1 O=CC=O PHBB_SC-05186 [2,0,0,0,0,0|1,0,1]=4 77 B3R0.1 OCCBr PHBB_SC-05046 [2,0,0,0,0,0|1,0,1]=4 78 B3R0.1 OCCCl PHBB_SC-05088 [2,0,0,0,0,0|1,0,1]=4 79 B3R0.1 OCCF PHBB_SC-00450 [2,0,0,0,0,0|1,0,1]=4 80 B3R0.1 OCCI PHBB_SC-11764 [2,0,0,0,0,0|1,0,1]=4 81 B3R0.2 CC(=N)N PHBB_SC-04907 [2,0,0,0,0,0|2,0,0]=4 82 B3R0.2 CC(C)Br PHBB_SC-08401 [2,0,0,0,0,0|1,0,0]=3 83 B3R0.2 CC(C)I PHBB_SC-04988 [2,0,0,0,0,0|1,0,0]=3 84 B5R0.1 C=C(C)CCO PHBB_NC-02008 [1,1,0,0,0,0|2,0,0]=4 85 B5R0.1 CC(=O)CCO PHBB_SC-08418 [1,1,0,0,0,0|1,0,0]=3 86 B5R0.1 CC(C)=CCO PHBB_NC-02002 [1,1,0,0,0,0|0,0,1]=3 87 B5R0.1 CC(C)CC=O PHBB_NC-03017 [1,1,0,0,0,0|0,0,0]=2 88 B5R0.1 CC(C)CCBr PHBB_SC-08456 [1,1,0,0,0,0|1,0,1]=4 89 B5R0.1 CC(C)CCI PHBB_SC-12249 [1,1,0,0,0,0|1,0,1]=4 90 B5R0.1 CC(C)CCS PHBB_SC-08348 [1,1,0,0,0,0|0,1,1]=4 91 B5R0.1 CC(C)N=C=S PHBB_NC-03314 [1,1,0,0,0,0|0,1,1]=4 92 B5R0.1 CC(O)CCO PHBB_SC-11802 [1,1,0,0,0,0|1,0,1]=4 93 B5R0.1 CCCC(=O)Cl PHBB_SC-04929 [1,1,0,0,0,0|1,0,0]=3 94 B5R0.1 CCCC(C)O PHBB_SC-05052 [1,1,0,0,0,0|1,0,1]=4 95 B5R0.1 CCC[N+](=O)[O-] PHBB_SC-04987 [1,1,0,0,0,0|1,0,1]=4 96 B5R0.1 CCOC(=O)Cl PHBB_SC-05103 [1,1,0,0,0,0|1,0,0]=3 97 B5R0.1 CNCC(=O)O PHBB_NC-02026 [1,1,0,0,0,0|0,0,0]=2 98 B5R0.1 CNCC(N)=O PHBB_NC-02184 [1,1,0,0,0,0|1,0,0]=3 99 B5R0.1 COCC(=O)Cl PHBB_SC-11015 [1,1,0,0,0,0|1,0,0]=3 100 B5R0.1 C\C=C\C(=O)Cl PHBB_SC-04788 [1,1,0,0,0,0|1,0,1]=4 101 B5R0.1 C\C=C\C(=O)O PHBB_NC-02030 [1,1,0,0,0,0|0,0,1]=3 102 B5R0.1 N#CCC(=O)O PHBB_SC-05140 [1,1,0,0,0,0|0,0,1]=3 103 B5R0.1 N#CCC(N)=O PHBB_SC-04829 [1,1,0,0,0,0|1,0,1]=4 104 B5R0.1 NC(=O)CCCl PHBB_SC-05035 [1,1,0,0,0,0|1,0,0]=3 105 B5R0.1 NCCC(=O)O PHBB_SC-11806 [1,1,0,0,0,0|0,0,0]=2 106 B5R0.1 O=C(Cl)CCBr PHBB_SC-05189 [1,1,0,0,0,0|1,0,0]=3 107 B5R0.1 O=C(Cl)CCCl PHBB_SC-04917 [1,1,0,0,0,0|1,0,0]=3 108 B5R0.1 O=C(O)CCCl PHBB_SC-05013 [1,1,0,0,0,0|0,0,0]=2 109 B5R0.3 C=CC(=O)OC PHBB_SC-04970 [1,1,0,0,0,0|0,0,2]=4 110 B5R0.3 CCC(=O)CC PHBB_SC-05000 [1,1,0,0,0,0|1,0,0]=3 111 B5R0.3 CCC(=O)NO PHBB_SC-04691 [1,1,0,0,0,0|0,0,0]=2 112 B5R0.3 CCC(N)CO PHBB_SC-08351 [1,1,0,0,0,0|1,0,1]=4 113 B5R0.3 CNC(=O)NC PHBB_SC-05175 [1,1,0,0,0,0|2,0,0]=4 114 B5R0.3 COC(=O)CN PHBB_NC-03597 [1,1,0,0,0,0|1,0,0]=3 115 B5R0.3 COC(=O)CO PHBB_SC-04640 [1,1,0,0,0,0|1,0,0]=3 116 B5R0.3 COC(=O)CS PHBB_SC-04757 [1,1,0,0,0,0|1,0,0]=3 117 B5R0.3 COC(=O)NN PHBB_SC-08462 [1,1,0,0,0,0|2,0,0]=4 118 B5R0.3 O=C(CCl)CCl PHBB_SC-05925 [1,1,0,0,0,0|2,0,0]=4 119 B5R0.3 OCC(O)CCl PHBB_SC-04805 [1,1,0,0,0,0|1,0,1]=4 120 B5R0.4 C#CC(C)(C)O PHBB_SC-04794 [1,1,0,0,0,0|1,0,1]=4 121 B5R0.4 CC(C)(C)NN PHBB_SC-11801 [1,1,0,0,0,0|2,0,0]=4 122 B5R0.4 CC(C)(N)CO PHBB_SC-04746 [1,1,0,0,0,0|0,0,1]=3 123 B5R0.4 CC(C)(O)C#N PHBB_SC-04712 [1,1,0,0,0,0|1,0,1]=4 124 B5R0.4 NCS(=O)(=O)O PHBB_SC-09586 [1,1,0,0,0,0|2,0,0]=4 125 B5R0.4 O=CC(Cl)(Cl)Cl PHBB_SC-04828 [1,1,0,0,0,0|2,0,0]=4 126 B5R0.4 O=CC(Cl)(Cl)Cl PHBB_SC-10780 [1,1,0,0,0,0|2,0,0]=4 127 B7R0.2 CC(C)NC(=O)CN PHBB_SC-02997 [0,1,0,0,0,1|1,0,0]=3 128 B7R0.2 COC(=O)CC(C)=O PHBB_SC-04942 [0,1,0,0,0,1|1,0,1]=4 129 B7R0.2 COC(=O)CC(C)C PHBB_SC-04883 [0,1,0,0,0,1|0,0,0]=2 130 B7R0.2 COC(=O)\C=C(/C)N PHBB_SC-07961 [0,1,0,0,0,1|1,0,1]=4 131 B7R0.9 CC(=O)CC(C)(C)O PHBB_NC-02018 [0,1,0,0,0,1|1,0,0]=3 132 B7R0.16 CC(C)C(Br)C(=O)O PHBB_SC-00103 [0,1,0,0,0,1|0,0,0]=2 133 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O PHBB_SC-06218 [0,1,0,0,0,1|1,0,0]=3 134 B7R0.5 C=C(C)C(=O)OCC PHBB_SC-04899 [0,2,0,0,0,0|0,0,2]=4 135 B7R0.5 CCOC(=O)C(C)=O PHBB_SC-08023 [0,2,0,0,0,0|1,0,1]=4 136 B7R0.5 CCOC(=O)C(F)F PHBB_SC-02898 [0,2,0,0,0,0|2,0,0]=4 137 B7R0.5 [C@@H](C)(O)C(=O)OCC PHBB_NC-02006 [0,2,0,0,0,0|1,0,0]=3 138 B7R0.10 COC(=O)C(=O)OC PHBB_SC-05145 [0,2,0,0,0,0|1,0,1]=4 139 B7R0.10 [C@H](N)(CO)C(=O)OC PHBB_NC-01975 [0,2,0,0,0,0|1,0,0]=3 140 B7R0.15 COC(OC)C(C)=O PHBB_SC-05001 [0,2,0,0,0,0|1,0,0]=3 141 B5R1.3 BrCC1CC1 PHBB_SC-03547 [1,0,0,1,0,0|1,0,1]=4 142 B5R1.3 C(=O)C1CC1 PHBB_SC-11308 [1,0,0,1,0,0|0,0,0]=2 143 B5R1.3 CCC1CO1 PHBB_SC-05207 [1,0,0,1,0,0|1,0,1]=4 144 B5R1.3 NCC1CC1 PHBB_SC-03507 [1,0,0,1,0,0|1,0,1]=4 145 B7R1.2 CC1CCC(=O)O1 PHBB_SC-05085 [0,0,0,1,0,1|1,0,0]=3 146 B7R1.2 C[C@@H]1COC(=O)O1 PHBB_NC-03242 [0,0,0,1,0,1|0,0,0]=2 147 B7R1.4 NC1CCOC1=O PHBB_NC-02664 [0,1,0,1,0,0|1,0,0]=3 148 B7R1.4 NC1CCSC1=O PHBB_SC-07879 [0,1,0,1,0,0|1,1,0]=4 149 B7R1.4 N[C@@H]1CONC1=O PHBB_NC-01485 [0,1,0,1,0,0|1,0,0]=3 150 B7R1.4 O=C1OCCC1Br PHBB_SC-05968 [0,1,0,1,0,0|1,0,0]=3 151 B7R1.18 O=C(O)C1CCC1 PHBB_SC-04033 [0,1,0,1,0,0|0,0,0]=2 152 B7R1.18 O=C(O)C1CNC1 PHBB_SC-12123 [0,1,0,1,0,0|0,0,0]=2 153 B7R1.22 C\C(=N/O)C1CC1 PHBB_SC-06727 [0,1,0,1,0,0|1,0,0]=3 154 B7R0.6 CC(=O)C=CC(C)C PHBB_NC-02934 [0,0,0,0,0,2|1,0,0]=3 155 B7R0.6 CC(=O)CCC(=O)O PHBB_SC-00197 [0,0,0,0,0,2|1,0,1]=4 156 B7R0.6 CC(=O)\C=C\N(C)C PHBB_SC-04066 [0,0,0,0,0,2|2,0,0]=4 157 B7R0.6 CC(C)COC(=O)Cl PHBB_SC-04950 [0,0,0,0,0,2|1,0,0]=3 158 B7R0.6 CC(C)OCC(=O)O PHBB_SC-03839 [0,0,0,0,0,2|0,0,0]=2