0 B5R0.1 B(CCC)(O)O AB08045 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 C#CCC(=O)O AB11673 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 C(CCl)C(=N)N AB30465 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.1 C(CO)C(=N)N AB48909 [0,0,0,0,0,0|4,0,0]=4 4 B5R0.1 C(CO)[N+](=O)[O-] AB00877 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.1 C=C(CCCl)I MB13669 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 CC#CN(C)C AB76935 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 CC(=O)\C=N\O AB00206 [0,0,0,0,0,0|3,0,0]=3 8 B4R0.1 B(CC)(O)O AB08033 [1,0,0,0,0,0|2,0,1]=4 9 B4R0.1 C#CC(=O)N MB03070 [1,0,0,0,0,0|1,0,2]=4 10 B4R0.1 C(C(=N)N)Cl AB02229 [1,0,0,0,0,0|3,0,0]=4 11 B4R0.1 C(C(=N)N)O AB12726 [1,0,0,0,0,0|3,0,0]=4 12 B4R0.1 C(C(=N)N)O AB21804 [1,0,0,0,0,0|3,0,0]=4 13 B4R0.1 C=C(CBr)I MB13667 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.1 CC(=N)NN AB09895 [1,0,0,0,0,0|3,0,0]=4 15 B4R0.1 CC(=O)C=O AB00820 [1,0,0,0,0,0|1,0,1]=3 16 B4R0.1 CC(=O)NN AB00888 [1,0,0,0,0,0|2,0,0]=3 17 B4R0.1 CC(=O)NO AB01014 [1,0,0,0,0,0|2,0,0]=3 18 B4R0.1 CCC(=N)N AB07703 [1,0,0,0,0,0|2,0,0]=3 19 B4R0.1 C\C(=N\O)\N AB06530 [1,0,0,0,0,0|3,0,0]=4 20 B4R0.1 C\C=C(/C)\Br AB00105 [1,0,0,0,0,0|1,0,1]=3 21 B4R0.2 C=CCCBr AB00123 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.2 C=CCCN AB14698 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.2 C=CCCO AB00288 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.1 CCCC(=N)NN AB56218 [0,1,0,0,0,0|3,0,0]=4 25 B6R0.1 CCNC(=O)C=C CB10170 [0,1,0,0,0,0|1,0,1]=3 26 B6R0.1 CCOC(=N)CCl AB60917 [0,1,0,0,0,0|1,0,0]=2 27 B6R0.1 CCOC(=N)CO AB60920 [0,1,0,0,0,0|1,0,0]=2 28 B6R0.1 CCOC(=O)C#N PB24520 [0,1,0,0,0,0|0,0,1]=2 29 B6R0.1 CNC(=O)CC#N AB03253 [0,1,0,0,0,0|2,0,1]=4 30 B6R0.1 COC(=N)CCCl AB61008 [0,1,0,0,0,0|3,0,0]=4 31 B6R0.1 COC(=O)CC#C AB11822 [0,1,0,0,0,0|1,0,2]=4 32 B6R0.1 COC(=O)\C=C\N AB31601 [0,1,0,0,0,0|2,0,1]=4 33 B6R0.1 C\C(=C\OC)\C#N AB65880 [0,1,0,0,0,0|3,0,0]=4 34 B6R0.2 CC(=O)NC(=N)N AB02893 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.2 CC(C)CC(=N)N AB60903 [0,1,0,0,0,0|3,0,0]=4 36 B6R0.2 CC(C)CC(=S)N AB52630 [0,1,0,0,0,0|2,1,0]=4 37 B6R0.2 CC(C)O[N+](=O)[O-] AB00827 [0,1,0,0,0,0|2,0,0]=3 38 B6R0.3 C([C@H](C(=O)O)N)S AB02703 [0,1,0,0,0,0|3,0,0]=4 39 B6R0.3 CC(CN)C(=O)O AB00933 [0,1,0,0,0,0|3,0,0]=4 40 B6R0.3 CCC(C(=O)O)N AB00928 [0,1,0,0,0,0|2,0,0]=3 41 B6R0.3 CCN(C)C(=O)Cl MB05193 [0,1,0,0,0,0|2,0,0]=3 42 B6R0.3 C[C@@H](CN)C(=O)O AB35706 [0,1,0,0,0,0|3,0,0]=4 43 B6R0.3 C[C@H](CN)C(=O)O AB08204 [0,1,0,0,0,0|3,0,0]=4 44 B6R0.4 C#CCCC(=O)O CB10019 [0,1,0,0,0,0|2,0,1]=4 45 B6R0.4 C=C(CCCCl)I MB13670 [0,1,0,0,0,0|2,0,1]=4 46 B6R0.4 CC(=O)\C=C\OC AB00959 [0,1,0,0,0,0|1,0,1]=3 47 B6R0.4 CN(C)CCCBr AB52731 [0,1,0,0,0,0|3,0,0]=4 48 B6R1.2 C1C=C(CO1)I AB84905 [0,0,0,1,0,0|3,0,0]=4 49 B6R1.2 C1CNCC1=O PB21807 [0,0,0,1,0,0|2,0,0]=3 50 B6R1.2 C1COCC1=O PB17440 [0,0,0,1,0,0|2,0,0]=3 51 B6R1.2 C1CONC1=O MB10654 [0,0,0,1,0,0|2,0,0]=3 52 B6R1.2 CC1=CCCO1 AB00300 [0,0,0,1,0,0|1,0,0]=2 53 B6R1.2 CC1CCCN1 AB44503 [0,0,0,1,0,0|2,0,1]=4 54 B6R1.2 C[C@@H]1CCCN1 AB29488 [0,0,0,1,0,0|2,0,1]=4 55 B6R1.2 C[C@@H]1CCCN1 AB42774 [0,0,0,1,0,0|2,0,1]=4 56 B6R1.2 C[C@H]1CCCN1 AB29489 [0,0,0,1,0,0|2,0,1]=4 57 B6R1.5 C1C(CC1=O)Br PB30412 [0,0,0,1,0,0|2,0,0]=3 58 B6R1.5 C1C(CC1=O)F PB36975 [0,0,0,1,0,0|2,0,0]=3 59 B6R1.5 C1C(CC1=O)N PB20766 [0,0,0,1,0,0|2,0,0]=3 60 B6R1.10 C1CS(=O)(=O)C1 CB10217 [0,0,0,1,0,0|3,0,0]=4 61 B6R1.11 C1CC1C(=S)N AB50595 [0,0,0,1,0,0|2,1,0]=4 62 B3R0.1 C(=O)NN AB00881 [2,0,0,0,0,0|2,0,0]=4 63 B3R0.1 C\C=C/I AB73504 [2,0,0,0,0,0|1,0,1]=4 64 B3R0.1 C\C=C\Br AB00109 [2,0,0,0,0,0|1,0,1]=4 65 B3R0.2 C[S+](C)C AB01061 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.3 C=C(CO)CO PB20901 [1,1,0,0,0,0|2,0,0]=4 67 B5R0.3 CCC(=N)NN AB56212 [1,1,0,0,0,0|2,0,0]=4 68 B5R0.3 CCC(=O)C=O AB21438 [1,1,0,0,0,0|0,0,1]=3 69 B5R0.3 CCC(=O)NN PB26058 [1,1,0,0,0,0|1,0,0]=3 70 B5R0.3 COC(=O)CN AB01112 [1,1,0,0,0,0|0,0,0]=2 71 B5R0.4 CSS(=O)(=O)C CB10056 [1,1,0,0,0,0|1,1,0]=4 72 B5R0.5 CC(C(=O)N)N AB43014 [1,1,0,0,0,0|1,0,0]=3 73 B5R0.5 CC(C)C(=N)N AB07702 [1,1,0,0,0,0|2,0,0]=4 74 B5R0.5 CC(C)C(=S)N AB32169 [1,1,0,0,0,0|1,1,0]=4 75 B5R0.5 C[C@@H](C(=O)O)Br AB03774 [1,1,0,0,0,0|1,0,0]=3 76 B5R0.5 C[C@@H](C(=O)O)N AB02601 [1,1,0,0,0,0|1,0,0]=3 77 B5R0.2 C(CBr)N=C=O AB04619 [1,1,0,0,0,0|1,0,1]=4 78 B5R0.2 C(CCl)N=C=O AB00198 [1,1,0,0,0,0|1,0,1]=4 79 B7R0.2 CCC(CC(=O)O)N AB01525 [0,2,0,0,0,0|2,0,0]=4 80 B7R0.2 C\C(=C/C(=O)OC)\N AB00926 [0,2,0,0,0,0|1,0,1]=4 81 B7R0.2 C\C(=C\C(=O)C)\OC AB70394 [0,2,0,0,0,0|1,0,1]=4 82 B7R0.3 CCO\C=C(/C)\C#N AB77030 [0,2,0,0,0,0|1,0,0]=3 83 B7R0.3 COC(=O)CCC=C AB16906 [0,2,0,0,0,0|1,0,1]=4 84 B7R0.3 COC(=O)CCCO AB65249 [0,2,0,0,0,0|1,0,0]=3 85 B7R0.3 C[C@H](CO)OCOC AB53701 [0,2,0,0,0,0|0,0,2]=4 86 B7R0.5 CCC[C@@H](C(=O)O)N AB02603 [0,2,0,0,0,0|2,0,0]=4 87 B7R0.5 CCC[C@H](C(=O)O)N AB00929 [0,2,0,0,0,0|2,0,0]=4 88 B7R0.5 CCOC(=O)C(=O)N AB00911 [0,2,0,0,0,0|0,0,1]=3 89 B7R0.5 CCOC(=O)C(=S)N PB24589 [0,2,0,0,0,0|0,0,1]=3 90 B7R0.5 CNC[C@@H](C(=O)O)N CB10181 [0,2,0,0,0,0|2,0,0]=4 91 B7R0.5 CNC[C@@H](C(=O)O)N CB11070 [0,2,0,0,0,0|2,0,0]=4 92 B7R0.7 CCOC(=O)C#CC AB01182 [0,2,0,0,0,0|0,0,0]=2 93 B7R0.7 CCOC(=O)C[N+]#[C-] AB00104 [0,2,0,0,0,0|0,0,0]=2 94 B7R0.7 CCOC(=O)N=C=S AB00381 [0,2,0,0,0,0|0,0,1]=3 95 B7R0.7 COCC(=O)CC#N AB63823 [0,2,0,0,0,0|2,0,0]=4 96 B7R0.10 CCC(C(=O)OC)N AB16757 [0,2,0,0,0,0|1,0,0]=3 97 B7R0.11 CCO[C@@](C)(CO)O AB31299 [0,2,0,0,0,0|0,0,2]=4 98 B7R0.9 CC(C)(C)OC(=O)N PB11584 [0,2,0,0,0,0|1,0,0]=3 99 B7R0.16 CC(C)[C@@H](C(=O)O)N AB02570 [0,2,0,0,0,0|2,0,0]=4 100 B7R0.16 CC(C)[C@H](C(=O)O)N AB02568 [0,2,0,0,0,0|2,0,0]=4 101 B7R0.13 CC[C@@](C)(C(=O)O)N AB03946 [0,2,0,0,0,0|2,0,0]=4 102 B7R0.13 CC[C@](C)(C(=O)O)N AB07274 [0,2,0,0,0,0|2,0,0]=4 103 B7R0.15 CCC(CN)C(=O)O AB62466 [0,2,0,0,0,0|2,0,0]=4 104 B7R0.4 CCCCO[N+](=O)[O-] AB01790 [0,2,0,0,0,0|2,0,0]=4 105 B7R0.6 CC(=O)CNC(=O)C AB02398 [0,2,0,0,0,0|1,0,0]=3 106 B7R0.6 CC(=O)NCC(=O)O AB00351 [0,2,0,0,0,0|1,0,1]=4 107 B7R0.6 CC(=O)\C=C\N(C)C AB03818 [0,2,0,0,0,0|1,0,1]=4 108 B5R1.2 C1C(=O)CN1 PB32275 [1,0,0,1,0,0|1,0,0]=3 109 B5R1.2 C1C(=O)CO1 PB20352 [1,0,0,1,0,0|1,0,0]=3 110 B5R1.2 C1C(=O)CS1 PB29880 [1,0,0,1,0,0|1,0,0]=3 111 B7R1.1 C1CC(OC1)CI AB24846 [0,1,0,1,0,0|1,0,1]=4 112 B7R1.1 C1CC(OC1)CN AB00408 [0,1,0,1,0,0|1,0,1]=4 113 B7R1.1 C1CC=C(C1)CBr PB30182 [0,1,0,1,0,0|2,0,0]=4 114 B7R1.1 C1CCC(C1)C=O AB02400 [0,1,0,1,0,0|1,0,1]=4 115 B7R1.2 C1C(CNC1=O)N PB17844 [0,1,0,1,0,0|1,0,0]=3 116 B7R1.2 C1[C@@H](CNC1=O)O PB23182 [0,1,0,1,0,0|1,0,0]=3 117 B7R1.2 C1[C@H](CNC1=O)O AB05836 [0,1,0,1,0,0|1,0,0]=3 118 B7R1.2 C1[C@H](CNC1=O)S PB29198 [0,1,0,1,0,0|1,0,0]=3 119 B7R1.2 CN1CCC(=O)C1 PB26542 [0,1,0,1,0,0|1,0,0]=3 120 B7R1.2 Cc1cnc(o1)C AB72158 [0,1,0,1,0,0|1,0,1]=4 121 B7R1.2 Cc1nc(on1)C AB44073 [0,1,0,1,0,0|1,0,1]=4 122 B7R1.3 C1CC(=O)CNC1 AB27650 [0,1,0,1,0,0|1,0,0]=3 123 B7R1.3 C1CC(=O)CNC1 PB26241 [0,1,0,1,0,0|1,0,0]=3 124 B7R1.3 C1CC(=O)COC1 PB27461 [0,1,0,1,0,0|0,0,0]=2 125 B7R1.3 C1CC(=O)CSC1 PB28980 [0,1,0,1,0,0|0,1,0]=3 126 B7R1.3 C1CC(COC1)Br MB04535 [0,1,0,1,0,0|1,0,1]=4 127 B7R1.3 C1CC(COC1)N PB30901 [0,1,0,1,0,0|1,0,1]=4 128 B7R1.3 C1CC(COC1)O PB32182 [0,1,0,1,0,0|0,0,2]=4 129 B7R1.3 C1CCO[C@@H](C1)N MB06981 [0,1,0,1,0,0|1,0,1]=4 130 B7R1.3 C1CCO[C@H](C1)N MB06978 [0,1,0,1,0,0|1,0,1]=4 131 B7R1.3 C1CNC(=O)CN1 PB23229 [0,1,0,1,0,0|1,0,0]=3 132 B7R1.3 C1CNCCC1=O PB32095 [0,1,0,1,0,0|1,0,0]=3 133 B7R1.3 C1COC(=O)CN1 AB71646 [0,1,0,1,0,0|0,0,0]=2 134 B7R1.3 C1COC(CN1)O CB11808 [0,1,0,1,0,0|0,0,2]=4 135 B7R1.3 C1COCC(=O)N1 PB29100 [0,1,0,1,0,0|1,0,0]=3 136 B7R1.3 C1COCC(=S)N1 AB72718 [0,1,0,1,0,0|1,1,0]=4 137 B7R1.3 C1COCC=C1I AB69543 [0,1,0,1,0,0|2,0,0]=4 138 B7R1.3 C1COCCC1=O PB24536 [0,1,0,1,0,0|1,0,0]=3 139 B7R1.3 C1CSCCC1=O PB25896 [0,1,0,1,0,0|1,0,0]=3 140 B7R1.3 CC1CNCCO1 PB23610 [0,1,0,1,0,0|1,0,1]=4 141 B7R1.3 CC1COCCN1 AB49614 [0,1,0,1,0,0|1,0,1]=4 142 B7R1.3 C[C@@H]1CNCCO1 PB14859 [0,1,0,1,0,0|1,0,1]=4 143 B7R1.3 C[C@@H]1COCCN1 AB62216 [0,1,0,1,0,0|1,0,1]=4 144 B7R1.3 C[C@H]1CNCCO1 PB26597 [0,1,0,1,0,0|1,0,1]=4 145 B7R1.3 C[C@H]1COCCN1 AB16412 [0,1,0,1,0,0|1,0,1]=4 146 B7R1.4 C1CNC(=O)[C@@H]1N AB64075 [0,1,0,1,0,0|1,0,0]=3 147 B7R1.4 C1CNC(=O)[C@H]1N AB64072 [0,1,0,1,0,0|1,0,0]=3 148 B7R1.4 C1CNC(=O)[C@H]1O AB29512 [0,1,0,1,0,0|1,0,0]=3 149 B7R1.4 C1COC(=O)[C@@H]1O MB00930 [0,1,0,1,0,0|0,0,0]=2 150 B7R1.6 CCOC1CNC1 AB30388 [0,1,0,1,0,0|1,0,1]=4 151 B7R1.8 C1CC(=O)C1CO PB37542 [0,1,0,1,0,0|2,0,0]=4 152 B7R1.10 C1C(CC1=O)C#N PB12223 [0,1,0,1,0,0|1,0,1]=4 153 B7R1.10 C1C(CC1=O)CBr PB27115 [0,1,0,1,0,0|1,0,0]=3 154 B7R1.10 C1C(CC1=O)CCl PB28331 [0,1,0,1,0,0|1,0,0]=3 155 B7R1.10 C1C(CC1=O)CN PB21511 [0,1,0,1,0,0|1,0,0]=3 156 B7R1.10 C1C(CC1=O)CO PB17805 [0,1,0,1,0,0|1,0,0]=3 157 B7R1.22 C1CC1C(=O)C=O AB62322 [0,1,0,1,0,0|1,0,1]=4 158 B7R1.22 C1CC1C(=O)CBr AB45693 [0,1,0,1,0,0|1,0,0]=3 159 B7R1.22 C1CC1C(=O)NN PB14101 [0,1,0,1,0,0|2,0,0]=4 160 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O PB33460 [0,1,0,1,0,0|2,0,0]=4 161 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl CB11891 [0,1,0,1,0,0|2,0,0]=4 162 B7R1.16 C1C(=O)CC1(F)F PB28782 [0,1,0,1,0,0|2,0,0]=4 163 B7R1.20 C1CC1CC(=O)O PB21648 [0,1,0,1,0,0|2,0,0]=4 164 B7R1.18 C1C(CN1)C(=O)N PB14800 [0,1,0,1,0,0|2,0,0]=4 165 B7R1.18 C1C(CN1)C(=O)N PB22567 [0,1,0,1,0,0|2,0,0]=4 166 B7R1.18 C1C(CN1)C(=O)O PB12129 [0,1,0,1,0,0|2,0,0]=4 167 B7R1.18 C1C(CO1)C(=O)O PB18896 [0,1,0,1,0,0|2,0,0]=4 168 B7R1.18 C1CN(C1)C(=O)O AB16585 [0,1,0,1,0,0|2,0,0]=4 169 B7R1.18 C1CNC1C(=O)N MB03936 [0,1,0,1,0,0|2,0,0]=4 170 B7R1.18 C1CNC1C(=O)O PB12060 [0,1,0,1,0,0|2,0,0]=4 171 B7R1.18 C1CN[C@H]1C(=O)O PB29123 [0,1,0,1,0,0|2,0,0]=4 172 B7R1.18 C1COC1C(=O)O PB26385 [0,1,0,1,0,0|1,0,0]=3 173 B7R1.19 C1CC1(C(=O)O)N PB23174 [0,1,0,1,0,0|2,0,0]=4 174 B7R1.7 C1CC1OCCCl AB18070 [0,1,0,1,0,0|1,0,1]=4 175 B7R1.14 C1CNS(=O)(=O)C1 PB25181 [0,1,0,1,0,0|2,0,0]=4 176 B7R1.14 C1COS(=O)(=O)N1 PB27333 [0,1,0,1,0,0|2,0,0]=4 177 B7R1.14 CC1(CCOC1)N PB13539 [0,1,0,1,0,0|1,0,1]=4