0 B4R0.1 C=C[N+](=O)[O-] CB10433 [0,0,0,0,0,0|4,0,0]=4 1 B4R0.1 CC(=N)NN AB09895 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.1 CC(=O)C=O AB00820 [0,0,0,0,0,0|1,0,1]=2 3 B4R0.1 CC(=O)NN AB00888 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 CC(=O)NO AB01014 [0,0,0,0,0,0|2,0,2]=4 5 B4R0.1 C\C(=N\O)\N AB06530 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.1 C\C=C(/C)\Br AB00105 [0,0,0,0,0,0|2,0,1]=3 7 B3R0.1 C(=O)NN AB00881 [1,0,0,0,0,0|2,0,0]=3 8 B3R0.1 C(CCl)N AB03778 [1,0,0,0,0,0|2,0,1]=4 9 B3R0.1 C\C=C/I AB73504 [1,0,0,0,0,0|1,0,1]=3 10 B3R0.1 C\C=C\Br AB00109 [1,0,0,0,0,0|1,0,1]=3 11 B3R0.2 C[S+](C)C AB01061 [1,0,0,0,0,0|1,0,1]=3 12 B5R0.1 CC#CN(C)C AB76935 [0,1,0,0,0,0|2,0,1]=4 13 B5R0.1 CC(=O)\C=N\O AB00206 [0,1,0,0,0,0|1,0,2]=4 14 B5R0.1 CC(C)N=C=O AB00193 [0,1,0,0,0,0|0,0,1]=2 15 B5R0.3 C(=O)C(C=O)Br PB21703 [0,1,0,0,0,0|1,0,1]=3 16 B5R0.3 C(=O)N(C=O)[Na] AB03947 [0,1,0,0,0,0|2,0,1]=4 17 B5R0.3 CCC(=O)C=O AB21438 [0,1,0,0,0,0|1,0,1]=3 18 B5R0.3 C[C@@H](CO)NC AB31545 [0,1,0,0,0,0|0,0,2]=3 19 B5R0.4 CC(C)(C)[N+]#[C-] AB32563 [0,1,0,0,0,0|2,0,0]=3 20 B5R0.4 C[Si](C)(C)C#N PB23143 [0,1,0,0,0,0|1,1,1]=4 21 B5R0.4 C[Si](C)(C)CO CB10021 [0,1,0,0,0,0|0,1,2]=4 22 B5R0.5 B(C(C)C)(O)O AB08847 [0,1,0,0,0,0|1,0,1]=3 23 B5R0.5 CC(C(=O)N)N AB43014 [0,1,0,0,0,0|1,0,0]=2 24 B5R0.5 CC(C)C(=N)N AB07702 [0,1,0,0,0,0|1,0,0]=2 25 B5R0.5 CC(C)C(=S)N AB32169 [0,1,0,0,0,0|0,1,0]=2 26 B5R0.5 C[C@@H](C(=O)O)Br AB03774 [0,1,0,0,0,0|1,0,0]=2 27 B5R0.5 C[C@@H](C(=O)O)N AB02601 [0,1,0,0,0,0|1,0,0]=2 28 B5R1.2 C1C(CN1)N PB22346 [0,0,0,1,0,0|2,0,1]=4 29 B5R1.2 C1C(CN1)O PB18565 [0,0,0,1,0,0|2,0,1]=4 30 B5R1.2 C1C(CN1)S PB18372 [0,0,0,1,0,0|2,0,1]=4 31 B5R1.2 C1C(CO1)Br PB32639 [0,0,0,1,0,0|1,0,2]=4 32 B5R1.2 C1C(CO1)Cl PB33445 [0,0,0,1,0,0|1,0,2]=4 33 B5R1.2 C1C(CO1)F AB71732 [0,0,0,1,0,0|1,0,2]=4 34 B5R1.2 C1C(CO1)I PB20276 [0,0,0,1,0,0|1,0,2]=4 35 B5R1.2 C1C(CO1)N MB07029 [0,0,0,1,0,0|1,0,2]=4 36 B5R1.2 C1C(CO1)N PB31297 [0,0,0,1,0,0|1,0,2]=4 37 B5R1.2 C1C(CO1)O PB25111 [0,0,0,1,0,0|1,0,2]=4 38 B5R1.2 C1C(CO1)S PB31940 [0,0,0,1,0,0|1,0,2]=4 39 B5R1.2 C1C(CS1)N PB11400 [0,0,0,1,0,0|1,1,1]=4 40 B5R1.2 CC1CNC1 PB16157 [0,0,0,1,0,0|1,0,1]=3 41 B5R1.3 CNC1CC1 PB16260 [0,0,0,1,0,0|2,0,0]=3 42 B2R0.1 C(=S)N AB42997 [2,0,0,0,0,0|1,1,0]=4 43 B4R0.2 C#CCCN AB55798 [1,1,0,0,0,0|1,0,1]=4 44 B4R0.2 C(CN)CCl AB06220 [1,1,0,0,0,0|1,0,1]=4 45 B4R0.2 C=CCCBr AB00123 [1,1,0,0,0,0|1,0,0]=3 46 B4R0.2 C=CCCN AB14698 [1,1,0,0,0,0|1,0,0]=3 47 B4R0.2 C=CCCO AB00288 [1,1,0,0,0,0|1,0,0]=3 48 B6R0.2 B(C=C(C)C)(O)O AB08065 [0,2,0,0,0,0|0,0,2]=4 49 B6R0.2 B(CC(C)C)(O)O AB03722 [0,2,0,0,0,0|0,0,2]=4 50 B6R0.2 CC(C)CC(=N)N AB60903 [0,2,0,0,0,0|1,0,0]=3 51 B6R0.2 CC(C)CC(=S)N AB52630 [0,2,0,0,0,0|0,1,0]=3 52 B6R0.2 CC(C)O[N+](=O)[O-] AB00827 [0,2,0,0,0,0|1,0,0]=3 53 B6R0.3 B(C(C)CC)(O)O AB25482 [0,2,0,0,0,0|1,0,1]=4 54 B6R0.3 C([C@H](C(=O)O)N)S AB02703 [0,2,0,0,0,0|1,0,0]=3 55 B6R0.3 CC(C)C(=N)NN AB56371 [0,2,0,0,0,0|1,0,0]=3 56 B6R0.3 CC(C)C(=O)NN PB30560 [0,2,0,0,0,0|0,0,0]=2 57 B6R0.3 CC(C)C(C#N)O AB07208 [0,2,0,0,0,0|0,0,2]=4 58 B6R0.3 CC(CN)C(=O)O AB00933 [0,2,0,0,0,0|0,0,0]=2 59 B6R0.3 CCC(C(=O)O)N AB00928 [0,2,0,0,0,0|1,0,0]=3 60 B6R0.3 CCN(C)C(=O)Cl MB05193 [0,2,0,0,0,0|1,0,0]=3 61 B6R0.3 CN(C(=O)N)N=O CB10099 [0,2,0,0,0,0|2,0,0]=4 62 B6R0.3 C[C@@H](C(=O)OC)N AB02553 [0,2,0,0,0,0|1,0,0]=3 63 B6R0.3 C[C@@H](CN)C(=O)O AB35706 [0,2,0,0,0,0|0,0,0]=2 64 B6R0.3 C[C@H](CN)C(=O)O AB08204 [0,2,0,0,0,0|0,0,0]=2 65 B6R0.5 C(C=O)C(F)(F)F AB04146 [0,2,0,0,0,0|2,0,0]=4 66 B6R0.5 CC(C)(C)CCI AB29727 [0,2,0,0,0,0|1,0,1]=4 67 B6R0.5 CC(C)(C)N=C=O AB00190 [0,2,0,0,0,0|0,0,1]=3 68 B6R0.8 CC(C)(CO)OC CB11973 [0,2,0,0,0,0|0,0,2]=4 69 B6R0.8 CC[C@@](C)(CO)O AB26212 [0,2,0,0,0,0|0,0,2]=4 70 B6R0.8 CC[C@](C)(CO)O AB26211 [0,2,0,0,0,0|0,0,2]=4 71 B6R0.9 COC(CN)OC AB00930 [0,2,0,0,0,0|1,0,1]=4 72 B6R0.7 CC(C)(C(=O)N)Br MB05789 [0,2,0,0,0,0|0,0,0]=2 73 B6R0.7 CC(C)(C(=O)O)N AB00918 [0,2,0,0,0,0|0,0,0]=2 74 B6R0.7 CC(C)(C)C(=N)N AB02164 [0,2,0,0,0,0|1,0,0]=3 75 B6R0.7 CC(C)(C)S(=O)N PB24744 [0,2,0,0,0,0|1,0,0]=3 76 B6R0.7 C[C@@H](C(C)(C)O)N MB19778 [0,2,0,0,0,0|1,0,1]=4 77 B4R1.1 C1CNC1 PB33850 [1,0,0,1,0,0|1,0,1]=4 78 B6R1.2 C1C=CCC1N CB10532 [0,1,0,1,0,0|2,0,0]=4 79 B6R1.2 CC1=CCCO1 AB00300 [0,1,0,1,0,0|1,0,1]=4 80 B6R1.2 CC1=CN=CC1 PB12076 [0,1,0,1,0,0|1,0,1]=4 81 B6R1.2 CC1=CN=NC1 AB00390 [0,1,0,1,0,0|1,0,1]=4 82 B6R1.2 CC1=NC=CC1 AB12705 [0,1,0,1,0,0|1,0,1]=4 83 B6R1.2 CC1CCCN1 AB44503 [0,1,0,1,0,0|1,0,1]=4 84 B6R1.2 CC1CCNC1 AB41901 [0,1,0,1,0,0|1,0,1]=4 85 B6R1.2 C[C@@H]1CCCN1 AB29488 [0,1,0,1,0,0|1,0,1]=4 86 B6R1.2 C[C@@H]1CCCN1 AB42774 [0,1,0,1,0,0|1,0,1]=4 87 B6R1.2 C[C@@H]1CCNC1 AB29518 [0,1,0,1,0,0|1,0,1]=4 88 B6R1.2 C[C@H]1CCCN1 AB29489 [0,1,0,1,0,0|1,0,1]=4 89 B6R1.2 C[C@H]1CCNC1 AB29522 [0,1,0,1,0,0|1,0,1]=4 90 B6R1.3 C1CC1CC#N PB18433 [0,1,0,1,0,0|1,0,1]=4 91 B6R1.3 C1CC1CC=O AB51242 [0,1,0,1,0,0|0,0,0]=2 92 B6R1.3 C1CC1CCN AB23437 [0,1,0,1,0,0|1,0,1]=4 93 B6R1.3 C1CC1CCN PB11093 [0,1,0,1,0,0|1,0,1]=4 94 B6R1.3 C1CC1CCO PB24555 [0,1,0,1,0,0|0,0,2]=4 95 B6R1.3 C1CC1CNN PB30981 [0,1,0,1,0,0|1,0,1]=4 96 B6R1.3 C1CC1CON AB21122 [0,1,0,1,0,0|0,0,2]=4 97 B6R1.3 C1CC1N=C=O AB10805 [0,1,0,1,0,0|0,0,1]=3 98 B6R1.3 C1CC1\C=C\Br AB76480 [0,1,0,1,0,0|1,0,0]=3 99 B6R1.5 C1C(CC1=O)Br PB30412 [0,1,0,1,0,0|1,0,0]=3 100 B6R1.5 C1C(CC1=O)F PB36975 [0,1,0,1,0,0|1,0,0]=3 101 B6R1.5 C1C(CC1=O)N PB20766 [0,1,0,1,0,0|1,0,0]=3 102 B6R1.8 CS[C@@H]1C[C@H]1N MB69372 [0,1,0,1,0,0|1,0,1]=4 103 B6R1.10 CC1(CNC1)C PB36182 [0,1,0,1,0,0|1,0,1]=4 104 B6R1.10 CC1(CNC1)F PB35243 [0,1,0,1,0,0|1,0,1]=4 105 B6R1.10 CC1(CNC1)N PB18986 [0,1,0,1,0,0|1,0,1]=4 106 B6R1.10 CC1(CNC1)O PB26628 [0,1,0,1,0,0|1,0,1]=4 107 B6R1.10 CC1(COC1)C MB00151 [0,1,0,1,0,0|0,0,2]=4 108 B6R1.10 CC1(COC1)N PB14901 [0,1,0,1,0,0|0,0,2]=4 109 B6R1.10 CC1(COC1)O PB13891 [0,1,0,1,0,0|0,0,2]=4 110 B6R1.11 B(C1CC1)(O)O AB17174 [0,1,0,1,0,0|1,0,1]=4 111 B6R1.11 C1CC1C(=S)N AB50595 [0,1,0,1,0,0|0,1,0]=3 112 B6R1.4 CC1C(CN1)O PB39176 [0,1,0,1,0,0|0,0,2]=4 113 B6R1.6 C1C(CN1)C#N PB25163 [0,1,0,1,0,0|1,0,1]=4 114 B6R1.6 C1C(CN1)CO PB34326 [0,1,0,1,0,0|0,0,2]=4 115 B6R1.6 C1C(CO1)C=O AB76630 [0,1,0,1,0,0|0,0,0]=2 116 B6R1.6 C1C(CO1)CCl MB06442 [0,1,0,1,0,0|0,0,2]=4 117 B6R1.6 C1C(CO1)CI PB11384 [0,1,0,1,0,0|0,0,2]=4 118 B6R1.6 C1C(CO1)CN PB26850 [0,1,0,1,0,0|0,0,2]=4 119 B6R1.6 C1C(CO1)CO PB28641 [0,1,0,1,0,0|0,0,2]=4 120 B6R1.6 C1C(CS1)CN PB19286 [0,1,0,1,0,0|0,1,1]=4 121 B6R1.6 C1CC(C1)CN PB27388 [0,1,0,1,0,0|1,0,1]=4 122 B6R1.6 C1CNC1CN PB33610 [0,1,0,1,0,0|1,0,1]=4 123 B6R1.6 C1CNC1CO PB21145 [0,1,0,1,0,0|0,0,2]=4 124 B6R1.6 C1CN[C@H]1CO PB13255 [0,1,0,1,0,0|0,0,2]=4 125 B6R1.6 C1COC1CBr PB10565 [0,1,0,1,0,0|1,0,1]=4 126 B6R1.6 C1COC1CI PB32950 [0,1,0,1,0,0|1,0,1]=4 127 B6R1.6 C1COC1CN PB12865 [0,1,0,1,0,0|1,0,1]=4 128 B6R1.6 C1COC1CO PB20918 [0,1,0,1,0,0|0,0,2]=4 129 B6R1.6 CNC1COC1 PB25068 [0,1,0,1,0,0|0,0,2]=4 130 B6R1.6 COC1CNC1 PB27751 [0,1,0,1,0,0|1,0,1]=4 131 B6R1.7 C1CC1(CN)O AB21151 [0,1,0,1,0,0|1,0,1]=4 132 B6R1.7 C1CC1(CO)N PB26047 [0,1,0,1,0,0|0,0,2]=4