0 B4R0.2 BrCCCBr PHBB_SC-04807 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.2 CC=CCO PHBB_NC-03012 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.2 CCCCCl PHBB_SC-05081 [0,0,0,0,0,0|2,0,0]=2 3 B4R0.2 CCCCI PHBB_SC-04996 [0,0,0,0,0,0|2,0,0]=2 4 B4R0.2 CCCCN PHBB_SC-04859 [0,0,0,0,0,0|2,0,0]=2 5 B4R0.2 CCN=C=S PHBB_SC-04720 [0,0,0,0,0,0|2,0,1]=3 6 B4R0.2 CNCCN PHBB_NC-03502 [0,0,0,0,0,0|3,0,0]=3 7 B4R0.2 CNCCO PHBB_SC-04984 [0,0,0,0,0,0|3,0,0]=3 8 B4R0.2 COCCBr PHBB_SC-08443 [0,0,0,0,0,0|3,0,0]=3 9 B4R0.2 COCCCl PHBB_SC-05043 [0,0,0,0,0,0|3,0,0]=3 10 B4R0.2 C\C=C\C#N PHBB_SC-12154 [0,0,0,0,0,0|2,0,2]=4 11 B4R0.2 C\C=C\C=O PHBB_SC-04963 [0,0,0,0,0,0|2,0,2]=4 12 B4R0.2 N#CCCBr PHBB_SC-06209 [0,0,0,0,0,0|3,0,1]=4 13 B4R0.2 N#CCCO PHBB_SC-01851 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.2 N#CSCCl PHBB_SC-07948 [0,0,0,0,0,0|2,0,1]=3 15 B4R0.2 NCCCBr PHBB_SC-04694 [0,0,0,0,0,0|3,0,0]=3 16 B4R0.2 NCCCCl PHBB_SC-05190 [0,0,0,0,0,0|3,0,0]=3 17 B4R0.2 NCCCN PHBB_NC-02031 [0,0,0,0,0,0|3,0,0]=3 18 B4R0.2 NNCCO PHBB_SC-09795 [0,0,0,0,0,0|4,0,0]=4 19 B4R0.2 OCCCBr PHBB_SC-05233 [0,0,0,0,0,0|3,0,0]=3 20 B3R0.1 BrCCBr PHBB_SC-05173 [1,0,0,0,0,0|2,0,0]=3 21 B3R0.1 C#CCN PHBB_SC-11782 [1,0,0,0,0,0|1,0,2]=4 22 B3R0.1 C#CCO PHBB_SC-04716 [1,0,0,0,0,0|1,0,2]=4 23 B3R0.1 CCCI PHBB_SC-04991 [1,0,0,0,0,0|1,0,0]=2 24 B3R0.1 CN=C=S PHBB_SC-04239 [1,0,0,0,0,0|2,0,1]=4 25 B3R0.1 CNC=O PHBB_SC-04993 [1,0,0,0,0,0|2,0,1]=4 26 B3R0.1 ClCCBr PHBB_SC-04697 [1,0,0,0,0,0|2,0,0]=3 27 B3R0.1 N#CCCl PHBB_SC-10796 [1,0,0,0,0,0|2,0,1]=4 28 B3R0.1 N#CCN PHBB_SC-04673 [1,0,0,0,0,0|2,0,1]=4 29 B3R0.1 NCCCl PHBB_SC-05201 [1,0,0,0,0,0|2,0,0]=3 30 B3R0.1 OCCBr PHBB_SC-05046 [1,0,0,0,0,0|2,0,0]=3 31 B3R0.1 OCCCl PHBB_SC-05088 [1,0,0,0,0,0|2,0,0]=3 32 B3R0.1 OCCF PHBB_SC-00450 [1,0,0,0,0,0|2,0,0]=3 33 B3R0.1 OCCI PHBB_SC-11764 [1,0,0,0,0,0|2,0,0]=3 34 B3R0.1 SCCS PHBB_SC-04766 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.1 C=C(C)CCO PHBB_NC-02008 [0,1,0,0,0,0|2,0,1]=4 36 B5R0.1 CC(=O)CCO PHBB_SC-08418 [0,1,0,0,0,0|2,0,1]=4 37 B5R0.1 CC(C)=CCO PHBB_NC-02002 [0,1,0,0,0,0|2,0,1]=4 38 B5R0.1 CC(C)CC=O PHBB_NC-03017 [0,1,0,0,0,0|2,0,1]=4 39 B5R0.1 CC(C)CCBr PHBB_SC-08456 [0,1,0,0,0,0|2,0,0]=3 40 B5R0.1 CC(C)CCI PHBB_SC-12249 [0,1,0,0,0,0|2,0,0]=3 41 B5R0.1 CC(C)CCS PHBB_SC-08348 [0,1,0,0,0,0|2,0,0]=3 42 B5R0.1 CC(C)N=C=S PHBB_NC-03314 [0,1,0,0,0,0|2,0,1]=4 43 B5R0.1 CC(O)CCO PHBB_SC-11802 [0,1,0,0,0,0|2,0,0]=3 44 B5R0.1 CCCC(=O)Cl PHBB_SC-04929 [0,1,0,0,0,0|2,0,1]=4 45 B5R0.1 CCCC(C)O PHBB_SC-05052 [0,1,0,0,0,0|1,0,0]=2 46 B5R0.1 CCC[N+](=O)[O-] PHBB_SC-04987 [0,1,0,0,0,0|3,0,0]=4 47 B5R0.1 CCOC(=O)Cl PHBB_SC-05103 [0,1,0,0,0,0|1,1,1]=4 48 B5R0.1 CN(C)CCCl PHBB_SC-05225 [0,1,0,0,0,0|3,0,0]=4 49 B5R0.1 CN(C)CCN PHBB_SC-10777 [0,1,0,0,0,0|3,0,0]=4 50 B5R0.2 BrCCCCBr PHBB_SC-08382 [0,1,0,0,0,0|2,0,0]=3 51 B5R0.2 CCCCC=O PHBB_NC-02017 [0,1,0,0,0,0|1,0,1]=3 52 B5R0.2 CCCCCN PHBB_SC-04890 [0,1,0,0,0,0|1,0,0]=2 53 B5R0.2 CCNCCO PHBB_SC-05148 [0,1,0,0,0,0|1,0,0]=2 54 B5R0.2 CCOCCBr PHBB_SC-08473 [0,1,0,0,0,0|0,1,0]=2 55 B5R0.2 CNCCC#N PHBB_SC-05091 [0,1,0,0,0,0|2,0,1]=4 56 B5R0.2 CNCCCN PHBB_SC-05092 [0,1,0,0,0,0|2,0,0]=3 57 B5R0.2 COCCCN PHBB_SC-04854 [0,1,0,0,0,0|2,0,0]=3 58 B5R0.2 NCCCCN PHBB_NC-01976 [0,1,0,0,0,0|2,0,0]=3 59 B5R0.2 O=C=NCCCl PHBB_SC-02945 [0,1,0,0,0,0|2,0,1]=4 60 B5R0.3 CCC(=O)CC PHBB_SC-05000 [0,1,0,0,0,0|1,0,0]=2 61 B5R0.3 CCC(=O)NO PHBB_SC-04691 [0,1,0,0,0,0|3,0,0]=4 62 B5R0.3 CCC(N)CO PHBB_SC-08351 [0,1,0,0,0,0|2,0,0]=3 63 B5R0.3 CNC(=O)NC PHBB_SC-05175 [0,1,0,0,0,0|3,0,0]=4 64 B5R0.3 COC(=O)CN PHBB_NC-03597 [0,1,0,0,0,0|3,0,0]=4 65 B5R0.3 COC(=O)CO PHBB_SC-04640 [0,1,0,0,0,0|3,0,0]=4 66 B5R0.3 COC(=O)CS PHBB_SC-04757 [0,1,0,0,0,0|3,0,0]=4 67 B5R0.3 ClCC(Cl)CCl PHBB_SC-00447 [0,1,0,0,0,0|3,0,0]=4 68 B5R0.3 NCC(O)CN PHBB_SC-04817 [0,1,0,0,0,0|3,0,0]=4 69 B5R0.3 O=C(CCl)CCl PHBB_SC-05925 [0,1,0,0,0,0|3,0,0]=4 70 B5R0.3 OCC(O)CCl PHBB_SC-04805 [0,1,0,0,0,0|3,0,0]=4 71 B5R1.1 C1=COCC1 PHBB_SC-04752 [0,0,0,1,0,0|0,1,2]=4 72 B5R1.3 BrCC1CC1 PHBB_SC-03547 [0,0,0,1,0,0|2,0,0]=3 73 B5R1.3 C(=O)C1CC1 PHBB_SC-11308 [0,0,0,1,0,0|2,0,1]=4 74 B5R1.3 CCC1CO1 PHBB_SC-05207 [0,0,0,1,0,0|2,0,0]=3 75 B5R1.3 ClCC1CO1 PHBB_SC-04896 [0,0,0,1,0,0|3,0,0]=4 76 B5R1.3 ClC[C@H]1CO1 PHBB_SC-09799 [0,0,0,1,0,0|3,0,0]=4 77 B5R1.3 NCC1CC1 PHBB_SC-03507 [0,0,0,1,0,0|2,0,0]=3 78 B2R0.1 CCI PHBB_SC-11622 [2,0,0,0,0,0|1,0,0]=3 79 B2R0.1 CNN PHBB_SC-12071 [2,0,0,0,0,0|2,0,0]=4 80 B2R0.1 CNN PHBB_SC-12179 [2,0,0,0,0,0|2,0,0]=4 81 B2R0.1 CON PHBB_SC-08331 [2,0,0,0,0,0|1,1,0]=4 82 B2R0.1 ICI PHBB_SC-04933 [2,0,0,0,0,0|2,0,0]=4 83 B4R0.1 C#CC(C)O PHBB_SC-04755 [1,1,0,0,0,0|0,0,2]=4 84 B4R0.1 CC(=O)CCl PHBB_SC-12103 [1,1,0,0,0,0|1,0,1]=4 85 B4R0.1 CC(=O)CO PHBB_SC-04985 [1,1,0,0,0,0|1,0,1]=4 86 B4R0.1 CC(C)C=O PHBB_SC-11309 [1,1,0,0,0,0|1,0,1]=4 87 B4R0.1 CC(C)CBr PHBB_SC-12096 [1,1,0,0,0,0|1,0,0]=3 88 B4R0.1 CC(C)CI PHBB_SC-04973 [1,1,0,0,0,0|1,0,0]=3 89 B4R0.1 CC(N)CN PHBB_SC-04768 [1,1,0,0,0,0|1,0,0]=3 90 B4R0.1 CC(O)CCl PHBB_SC-05016 [1,1,0,0,0,0|1,0,0]=3 91 B4R0.1 CC(O)CO PHBB_SC-05074 [1,1,0,0,0,0|1,0,0]=3 92 B4R0.1 CCC(=O)Cl PHBB_SC-04995 [1,1,0,0,0,0|1,0,1]=4 93 B4R0.1 CCC(C)=O PHBB_SC-05025 [1,1,0,0,0,0|0,0,1]=3 94 B4R0.1 CCC(C)N PHBB_SC-04843 [1,1,0,0,0,0|0,0,0]=2 95 B4R0.1 CCC(C)O PHBB_SC-05058 [1,1,0,0,0,0|0,0,0]=2 96 B4R0.1 CSC(=N)N PHBB_SC-05180 [1,1,0,0,0,0|1,0,1]=4 97 B4R0.1 [C@H](C)(O)CN PHBB_NC-02041 [1,1,0,0,0,0|1,0,0]=3 98 B6R0.1 CCOC(=O)CBr PHBB_SC-08365 [0,2,0,0,0,0|0,1,1]=4 99 B6R0.1 CCOC(=O)CCl PHBB_SC-04871 [0,2,0,0,0,0|0,1,1]=4 100 B6R0.1 CCOC(=O)CS PHBB_SC-05151 [0,2,0,0,0,0|0,1,1]=4 101 B6R0.1 CNCC(=O)NC PHBB_NC-02175 [0,2,0,0,0,0|2,0,0]=4 102 B6R0.1 CNCC(O)CO PHBB_SC-02943 [0,2,0,0,0,0|2,0,0]=4 103 B6R0.1 COC(=O)CCBr PHBB_SC-11020 [0,2,0,0,0,0|2,0,0]=4 104 B6R0.1 COC(=O)CCN PHBB_NC-01592 [0,2,0,0,0,0|2,0,0]=4 105 B6R0.3 CNC(=O)[C@H](C)N PHBB_NC-02085 [0,2,0,0,0,0|2,0,0]=4 106 B6R0.3 COC(=O)[C@H](C)N PHBB_NC-01228 [0,2,0,0,0,0|2,0,0]=4 107 B6R0.4 CC(=O)CCCCl PHBB_SC-05457 [0,2,0,0,0,0|1,0,1]=4 108 B6R0.4 CC(=O)NCCN PHBB_SC-10582 [0,2,0,0,0,0|1,0,1]=4 109 B6R0.4 CC(C)OCCCl PHBB_SC-02330 [0,2,0,0,0,0|0,1,0]=3 110 B6R0.4 CCCCC(=O)Cl PHBB_SC-04938 [0,2,0,0,0,0|1,0,1]=4 111 B6R0.4 CCCCC(C)=O PHBB_SC-04978 [0,2,0,0,0,0|1,0,0]=3 112 B6R0.4 CN(C)CCCCl PHBB_SC-04010 [0,2,0,0,0,0|2,0,0]=4 113 B6R0.4 CN(C)CCCN PHBB_SC-04668 [0,2,0,0,0,0|2,0,0]=4 114 B6R0.4 CN(C)CCCO PHBB_SC-04894 [0,2,0,0,0,0|2,0,0]=4 115 B6R0.6 BrCCCCCBr PHBB_SC-04921 [0,2,0,0,0,0|1,0,0]=3 116 B6R0.6 CCCCCCBr PHBB_SC-04802 [0,2,0,0,0,0|1,0,0]=3 117 B6R0.6 CCCCCCI PHBB_SC-05060 [0,2,0,0,0,0|1,0,0]=3 118 B6R0.6 CCCCCCN PHBB_SC-04051 [0,2,0,0,0,0|1,0,0]=3 119 B6R0.6 CCCCN=C=O PHBB_SC-04717 [0,2,0,0,0,0|1,0,1]=4 120 B6R0.6 CCCCOC=O PHBB_SC-05072 [0,2,0,0,0,0|1,0,1]=4 121 B6R0.6 CCCNCCC PHBB_SC-05009 [0,2,0,0,0,0|1,0,0]=3 122 B6R0.6 CCOCCCN PHBB_SC-04954 [0,2,0,0,0,0|0,1,0]=3 123 B6R0.6 NCCCCCN PHBB_NC-02994 [0,2,0,0,0,0|1,0,0]=3 124 B6R0.6 NCCNCCN PHBB_SC-04055 [0,2,0,0,0,0|1,0,0]=3 125 B6R0.6 NCCNCCO PHBB_SC-04079 [0,2,0,0,0,0|1,0,0]=3 126 B6R0.6 NCCOCCO PHBB_SC-05132 [0,2,0,0,0,0|0,1,0]=3 127 B6R0.6 NCCSCCO PHBB_SC-06478 [0,2,0,0,0,0|0,0,0]=2 128 B4R1.2 NC1CC1 PHBB_SC-05185 [1,0,0,1,0,0|1,0,0]=3 129 B6R1.2 NC1=NCCC1 PHBB_SC-10252 [0,1,0,1,0,0|1,0,1]=4 130 B6R1.2 NC1=NCCS1 PHBB_SC-08355 [0,1,0,1,0,0|1,0,1]=4 131 B6R1.2 NC1CCCC1 PHBB_SC-12217 [0,1,0,1,0,0|1,0,0]=3 132 B6R1.2 O=C1CCCC1 PHBB_SC-06360 [0,1,0,1,0,0|1,0,0]=3 133 B6R1.2 O=C1CCSC1 PHBB_SC-05924 [0,1,0,1,0,0|0,0,1]=3 134 B6R1.2 SC1=NCCS1 PHBB_SC-08327 [0,1,0,1,0,0|1,0,1]=4 135 B6R1.3 COCC1CO1 PHBB_SC-06229 [0,1,0,1,0,0|2,0,0]=4 136 B6R1.1 C1=COCCC1 PHBB_SC-05097 [0,1,0,1,0,0|0,1,1]=4 137 B6R1.1 C1CSCCN1 PHBB_SC-08339 [0,1,0,1,0,0|0,0,0]=2 138 B6R1.1 C1OCOCO1 PHBB_SC-04905 [0,1,0,1,0,0|1,1,0]=4