0 B4R0.1 C#CC(=O)O PHBB_SC-04700 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 C#CC(C)O PHBB_SC-04755 [0,0,0,0,0,0|1,0,1]=2 2 B4R0.1 C=C(C)C#N PHBB_SC-04900 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.1 CC(=O)CCl PHBB_SC-12103 [0,0,0,0,0,0|1,0,2]=3 4 B4R0.1 CC(=O)CO PHBB_SC-04985 [0,0,0,0,0,0|0,0,2]=2 5 B4R0.1 CC(C)C=O PHBB_SC-11309 [0,0,0,0,0,0|1,0,2]=3 6 B4R0.1 CC(C)CBr PHBB_SC-12096 [0,0,0,0,0,0|2,0,0]=2 7 B4R0.1 CC(C)CI PHBB_SC-04973 [0,0,0,0,0,0|2,0,0]=2 8 B4R0.1 CC(N)CN PHBB_SC-04768 [0,0,0,0,0,0|2,0,0]=2 9 B4R0.1 CC(O)CCl PHBB_SC-05016 [0,0,0,0,0,0|1,0,0]=1 10 B4R0.1 CC(O)CO PHBB_SC-05074 [0,0,0,0,0,0|0,0,0]=0 11 B4R0.1 CCC(=O)Cl PHBB_SC-04995 [0,0,0,0,0,0|2,0,2]=4 12 B4R0.1 CCC(C)=O PHBB_SC-05025 [0,0,0,0,0,0|1,0,2]=3 13 B4R0.1 CCC(C)N PHBB_SC-04843 [0,0,0,0,0,0|2,0,0]=2 14 B4R0.1 CCC(C)O PHBB_SC-05058 [0,0,0,0,0,0|1,0,0]=1 15 B4R0.1 C\C(N)=N\O PHBB_SC-06052 [0,0,0,0,0,0|2,0,1]=3 16 B4R0.1 NC(=O)CCl PHBB_SC-00189 [0,0,0,0,0,0|2,0,2]=4 17 B4R0.1 NC(=O)NO PHBB_SC-05227 [0,0,0,0,0,0|2,0,2]=4 18 B4R0.1 O=C(Br)CBr PHBB_SC-04910 [0,0,0,0,0,0|2,0,2]=4 19 B4R0.1 O=C(Cl)CCl PHBB_SC-04838 [0,0,0,0,0,0|2,0,2]=4 20 B4R0.1 O=C(O)CCl PHBB_SC-12050 [0,0,0,0,0,0|2,0,1]=3 21 B4R0.1 O=C(O)CI PHBB_SC-04669 [0,0,0,0,0,0|2,0,1]=3 22 B4R0.1 [C@H](C)(O)CN PHBB_NC-02041 [0,0,0,0,0,0|1,0,0]=1 23 B3R0.1 BrCCBr PHBB_SC-05173 [1,0,0,0,0,0|2,0,0]=3 24 B3R0.1 C#CCN PHBB_SC-11782 [1,0,0,0,0,0|1,0,2]=4 25 B3R0.1 C#CCO PHBB_SC-04716 [1,0,0,0,0,0|0,0,2]=3 26 B3R0.1 CCCI PHBB_SC-04991 [1,0,0,0,0,0|1,0,0]=2 27 B3R0.1 CN=C=S PHBB_SC-04239 [1,0,0,0,0,0|1,1,1]=4 28 B3R0.1 CNC=O PHBB_SC-04993 [1,0,0,0,0,0|1,0,2]=4 29 B3R0.1 ClCCBr PHBB_SC-04697 [1,0,0,0,0,0|2,0,0]=3 30 B3R0.1 N#CCCl PHBB_SC-10796 [1,0,0,0,0,0|2,0,1]=4 31 B3R0.1 N#CCN PHBB_SC-04673 [1,0,0,0,0,0|2,0,1]=4 32 B3R0.1 NCCCl PHBB_SC-05201 [1,0,0,0,0,0|2,0,0]=3 33 B3R0.1 OCCBr PHBB_SC-05046 [1,0,0,0,0,0|1,0,0]=2 34 B3R0.1 OCCCl PHBB_SC-05088 [1,0,0,0,0,0|1,0,0]=2 35 B3R0.1 OCCF PHBB_SC-00450 [1,0,0,0,0,0|1,0,0]=2 36 B3R0.1 OCCI PHBB_SC-11764 [1,0,0,0,0,0|1,0,0]=2 37 B3R0.1 SCCS PHBB_SC-04766 [1,0,0,0,0,0|0,2,0]=3 38 B3R0.2 CC(=N)N PHBB_SC-04907 [1,0,0,0,0,0|2,0,1]=4 39 B3R0.2 CC(C)Br PHBB_SC-08401 [1,0,0,0,0,0|1,0,0]=2 40 B3R0.2 CC(C)I PHBB_SC-04988 [1,0,0,0,0,0|1,0,0]=2 41 B5R0.1 C#CCN(C)C PHBB_SC-08363 [0,1,0,0,0,0|3,0,0]=4 42 B5R0.1 C=C(C)CCO PHBB_NC-02008 [0,1,0,0,0,0|1,0,1]=3 43 B5R0.1 CC(=O)CCO PHBB_SC-08418 [0,1,0,0,0,0|0,0,2]=3 44 B5R0.1 CC(C)=CCO PHBB_NC-02002 [0,1,0,0,0,0|1,0,1]=3 45 B5R0.1 CC(C)CC=O PHBB_NC-03017 [0,1,0,0,0,0|1,0,1]=3 46 B5R0.1 CC(C)CCBr PHBB_SC-08456 [0,1,0,0,0,0|2,0,0]=3 47 B5R0.1 CC(C)CCI PHBB_SC-12249 [0,1,0,0,0,0|2,0,0]=3 48 B5R0.1 CC(C)CCS PHBB_SC-08348 [0,1,0,0,0,0|1,1,0]=3 49 B5R0.1 CC(C)N=C=S PHBB_NC-03314 [0,1,0,0,0,0|1,1,1]=4 50 B5R0.1 CC(O)CCO PHBB_SC-11802 [0,1,0,0,0,0|0,0,0]=1 51 B5R0.1 CCCC(C)O PHBB_SC-05052 [0,1,0,0,0,0|1,0,0]=2 52 B5R0.1 CN(C)CCCl PHBB_SC-05225 [0,1,0,0,0,0|3,0,0]=4 53 B5R0.1 CN(C)CCN PHBB_SC-10777 [0,1,0,0,0,0|3,0,0]=4 54 B5R0.1 CNCC(=O)O PHBB_NC-02026 [0,1,0,0,0,0|2,0,1]=4 55 B5R0.1 COCC(=O)Cl PHBB_SC-11015 [0,1,0,0,0,0|1,0,2]=4 56 B5R0.1 N#CCC(=O)O PHBB_SC-05140 [0,1,0,0,0,0|2,0,1]=4 57 B5R0.1 NCCC(=O)O PHBB_SC-11806 [0,1,0,0,0,0|2,0,1]=4 58 B5R0.1 O=C(O)CCCl PHBB_SC-05013 [0,1,0,0,0,0|2,0,1]=4 59 B5R0.3 CCC(=O)CC PHBB_SC-05000 [0,1,0,0,0,0|1,0,2]=4 60 B5R0.3 CCC(=O)NO PHBB_SC-04691 [0,1,0,0,0,0|1,0,2]=4 61 B5R0.3 CCC(N)CO PHBB_SC-08351 [0,1,0,0,0,0|1,0,0]=2 62 B5R0.3 COC(=O)CN PHBB_NC-03597 [0,1,0,0,0,0|1,0,2]=4 63 B5R0.3 COC(=O)CO PHBB_SC-04640 [0,1,0,0,0,0|0,0,2]=3 64 B5R0.3 COC(=O)CS PHBB_SC-04757 [0,1,0,0,0,0|0,1,2]=4 65 B5R0.3 ClCC(Cl)CCl PHBB_SC-00447 [0,1,0,0,0,0|2,0,0]=3 66 B5R0.3 NCC(O)CN PHBB_SC-04817 [0,1,0,0,0,0|1,0,0]=2 67 B5R0.3 O=C(CCl)CCl PHBB_SC-05925 [0,1,0,0,0,0|1,0,2]=4 68 B5R0.3 OCC(O)CCl PHBB_SC-04805 [0,1,0,0,0,0|0,0,0]=1 69 B5R0.4 C#CC(C)(C)O PHBB_SC-04794 [0,1,0,0,0,0|1,0,1]=3 70 B5R0.4 CC(C)(C)NN PHBB_SC-11801 [0,1,0,0,0,0|3,0,0]=4 71 B5R0.4 CC(C)(N)CO PHBB_SC-04746 [0,1,0,0,0,0|1,0,0]=2 72 B5R0.4 CC(C)(O)C#N PHBB_SC-04712 [0,1,0,0,0,0|1,0,1]=3 73 B5R0.4 NCS(=O)(=O)O PHBB_SC-09586 [0,1,0,0,0,0|3,0,0]=4 74 B5R0.4 OCC(F)(F)F PHBB_SC-02897 [0,1,0,0,0,0|2,0,0]=3 75 B5R0.5 C=C(C)C(=O)O PHBB_NC-01983 [0,1,0,0,0,0|1,0,2]=4 76 B5R0.5 CC(=O)C(=O)O PHBB_SC-05182 [0,1,0,0,0,0|0,0,3]=4 77 B5R0.5 CC(C)C(=N)N PHBB_SC-09688 [0,1,0,0,0,0|2,0,1]=4 78 B5R0.5 CC(C)C(=O)Cl PHBB_SC-11808 [0,1,0,0,0,0|1,0,2]=4 79 B5R0.5 CC(C)C(=O)O PHBB_SC-04925 [0,1,0,0,0,0|1,0,1]=3 80 B5R0.5 CC(C)[N+](=O)[O-] PHBB_SC-05100 [0,1,0,0,0,0|2,0,1]=4 81 B5R0.5 CC(O)C(N)=O PHBB_SC-05061 [0,1,0,0,0,0|0,0,2]=3 82 B5R0.5 CC(S)C(=O)O PHBB_SC-06200 [0,1,0,0,0,0|0,1,1]=3 83 B5R0.5 C[C@H](N)C(N)=O PHBB_NC-02086 [0,1,0,0,0,0|1,0,2]=4 84 B5R0.5 C[C@H](O)C(=O)O PHBB_NC-03024 [0,1,0,0,0,0|0,0,1]=2 85 B5R0.5 O=C(O)C(Cl)Cl PHBB_SC-05023 [0,1,0,0,0,0|2,0,1]=4 86 B5R1.3 BrCC1CC1 PHBB_SC-03547 [0,0,0,1,0,0|2,0,0]=3 87 B5R1.3 C(=O)C1CC1 PHBB_SC-11308 [0,0,0,1,0,0|1,0,2]=4 88 B5R1.3 CCC1CO1 PHBB_SC-05207 [0,0,0,1,0,0|1,0,0]=2 89 B5R1.3 ClCC1CO1 PHBB_SC-04896 [0,0,0,1,0,0|1,0,0]=2 90 B5R1.3 ClC[C@H]1CO1 PHBB_SC-09799 [0,0,0,1,0,0|1,0,0]=2 91 B5R1.3 NCC1CC1 PHBB_SC-03507 [0,0,0,1,0,0|2,0,0]=3 92 B2R0.1 CCI PHBB_SC-11622 [2,0,0,0,0,0|1,0,0]=3 93 B2R0.1 CNN PHBB_SC-12071 [2,0,0,0,0,0|2,0,0]=4 94 B2R0.1 CNN PHBB_SC-12179 [2,0,0,0,0,0|2,0,0]=4 95 B2R0.1 CON PHBB_SC-08331 [2,0,0,0,0,0|2,0,0]=4 96 B2R0.1 ICI PHBB_SC-04933 [2,0,0,0,0,0|2,0,0]=4 97 B4R0.2 BrCCCBr PHBB_SC-04807 [1,1,0,0,0,0|1,0,0]=3 98 B4R0.2 CC=CCO PHBB_NC-03012 [1,1,0,0,0,0|0,0,1]=3 99 B4R0.2 CCCCCl PHBB_SC-05081 [1,1,0,0,0,0|1,0,0]=3 100 B4R0.2 CCCCI PHBB_SC-04996 [1,1,0,0,0,0|1,0,0]=3 101 B4R0.2 CCCCN PHBB_SC-04859 [1,1,0,0,0,0|1,0,0]=3 102 B4R0.2 CCN=C=S PHBB_SC-04720 [1,1,0,0,0,0|0,1,1]=4 103 B4R0.2 CNCCN PHBB_NC-03502 [1,1,0,0,0,0|1,0,0]=3 104 B4R0.2 CNCCO PHBB_SC-04984 [1,1,0,0,0,0|0,0,0]=2 105 B4R0.2 COCCBr PHBB_SC-08443 [1,1,0,0,0,0|1,0,0]=3 106 B4R0.2 COCCCl PHBB_SC-05043 [1,1,0,0,0,0|1,0,0]=3 107 B4R0.2 N#CCCBr PHBB_SC-06209 [1,1,0,0,0,0|1,0,1]=4 108 B4R0.2 N#CCCO PHBB_SC-01851 [1,1,0,0,0,0|0,0,1]=3 109 B4R0.2 NCCCBr PHBB_SC-04694 [1,1,0,0,0,0|1,0,0]=3 110 B4R0.2 NCCCCl PHBB_SC-05190 [1,1,0,0,0,0|1,0,0]=3 111 B4R0.2 NCCCN PHBB_NC-02031 [1,1,0,0,0,0|1,0,0]=3 112 B4R0.2 NNCCO PHBB_SC-09795 [1,1,0,0,0,0|1,0,0]=3 113 B4R0.2 OCCCBr PHBB_SC-05233 [1,1,0,0,0,0|0,0,0]=2 114 B4R0.3 CC(C)(C)[O-] PHBB_SC-05101 [1,1,0,0,0,0|0,0,1]=3 115 B4R0.3 O=S(=O)(O)O PHBB_SC-04686 [1,1,0,0,0,0|2,0,0]=4 116 B6R0.1 CCC(C)N=C=S PHBB_NC-03316 [0,2,0,0,0,0|1,1,0]=4 117 B6R0.1 CNCC(O)CO PHBB_SC-02943 [0,2,0,0,0,0|0,0,0]=2 118 B6R0.2 CC(C)CC(=O)Cl PHBB_SC-08426 [0,2,0,0,0,0|1,0,1]=4 119 B6R0.2 CC(C)CC(=O)O PHBB_NC-02034 [0,2,0,0,0,0|1,0,0]=3 120 B6R0.2 CC(O)CC(=O)O PHBB_NC-02996 [0,2,0,0,0,0|0,0,0]=2 121 B6R0.2 CN(C)CC(=O)O PHBB_SC-04767 [0,2,0,0,0,0|2,0,0]=4 122 B6R0.3 CC(C)\C(N)=N\O PHBB_SC-06134 [0,2,0,0,0,0|1,0,1]=4 123 B6R0.3 CCC(Br)C(=O)O PHBB_SC-06206 [0,2,0,0,0,0|1,0,1]=4 124 B6R0.3 COC(=O)[C@H](C)N PHBB_NC-01228 [0,2,0,0,0,0|1,0,1]=4 125 B6R0.3 NC(CO)C(=O)O PHBB_SC-06219 [0,2,0,0,0,0|1,0,0]=3 126 B6R0.3 N[C@@H](CS)C(=O)O PHBB_NC-02028 [0,2,0,0,0,0|1,0,1]=4 127 B6R0.4 CC(C)CN=C=S PHBB_NC-03315 [0,2,0,0,0,0|1,1,0]=4 128 B6R0.4 CC(C)OCCCl PHBB_SC-02330 [0,2,0,0,0,0|2,0,0]=4 129 B6R0.4 CN(C)CCCO PHBB_SC-04894 [0,2,0,0,0,0|2,0,0]=4 130 B6R0.5 C[N+](C)(C)CCO PHBB_NC-02013 [0,2,0,0,0,0|2,0,0]=4 131 B6R0.8 CC(N)(CO)CO PHBB_SC-08323 [0,2,0,0,0,0|0,0,0]=2 132 B6R0.8 O=P(O)(CCl)CCl PHBB_SC-01084 [0,2,0,0,0,0|2,0,0]=4 133 B6R0.9 COC(CCl)OC PHBB_SC-05114 [0,2,0,0,0,0|1,0,0]=3 134 B6R0.9 COC(CN)OC PHBB_SC-04836 [0,2,0,0,0,0|1,0,0]=3 135 B6R0.7 CC(C)(N)C(=O)O PHBB_SC-08466 [0,2,0,0,0,0|1,0,1]=4 136 B4R1.2 NC1CC1 PHBB_SC-05185 [1,0,0,1,0,0|1,0,0]=3 137 B6R1.2 NC1CCCC1 PHBB_SC-12217 [0,1,0,1,0,0|2,0,0]=4 138 B6R1.3 COCC1CO1 PHBB_SC-06229 [0,1,0,1,0,0|0,0,0]=2