0 B7R0.3 COC(=O)CCC=C AB16906 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.3 COC(=O)CCCO AB65249 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.3 C[C@H](CO)OCOC AB53701 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 CCCC(=N)NN AB56218 [1,0,0,0,0,0|3,0,0]=4 4 B6R0.1 CCNC(=O)C=C CB10170 [1,0,0,0,0,0|1,0,2]=4 5 B6R0.1 CCOC(=N)CCl AB60917 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.1 CCOC(=N)CO AB60920 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.1 CCOC(=O)C#N PB24520 [1,0,0,0,0,0|1,0,1]=3 8 B6R0.1 CNC(=O)CC#N AB03253 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.1 COC(=N)CCCl AB61008 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.1 COC(=O)CC#C AB11822 [1,0,0,0,0,0|1,0,2]=4 11 B6R0.4 CC(=O)\C=C\OC AB00959 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.6 CCCNCCC AB02251 [1,0,0,0,0,0|1,0,1]=3 13 B8R1.1 C1C(CNC1=O)CN PB10686 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.1 C1C(CNC1=O)CO PB26709 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.1 C1CC(=O)NC1CN AB28123 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.1 C1CC(=O)N[C@@H]1CCl MB07054 [0,0,0,1,0,0|2,0,0]=3 17 B8R1.1 C1CC(=O)N[C@@H]1CN AB28507 [0,0,0,1,0,0|2,0,0]=3 18 B8R1.1 C1CC(=O)N[C@H]1CCl MB06934 [0,0,0,1,0,0|2,0,0]=3 19 B8R1.1 C1CC(=O)N[C@H]1CN AB28509 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.1 C1CC(=O)N[C@H]1CO AB02985 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.1 C1[C@@H](CNC1=O)CN PB39244 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.1 C1[C@@H](COC1=O)CF MB10069 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.1 C1[C@H](CNC1=O)CN PB37026 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.1 C1[C@H](COC1=O)CF MB19704 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.2 C1CCC(=CC1)CBr PB28658 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.2 C1CCOC(C1)CBr MB00206 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.2 C1CCOC(C1)CN AB28292 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.2 C1CCOC(C1)CO AB00784 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.2 CCC1CNCCO1 AB49621 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.3 C1CC(=O)CCC1N AB26267 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.3 C1CC(=O)NCC1N PB22229 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.3 CC1CNC(=O)CN1 AB37204 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.3 CC1CNC(=O)CO1 AB71787 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.3 CC1CNC(CO1)C AB55657 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.3 CN1CCC(=CC1)I AB70135 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.3 C[C@@H]1CNC(=O)CN1 AB37209 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.3 C[C@H]1CNC(=O)CN1 AB37206 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.5 C1CCC(=O)C(C1)F MB01688 [0,0,0,1,0,0|2,0,0]=3 39 B8R1.5 C1CNCC(C1=O)F PB20587 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.5 C1COCC(C1=O)Br PB18064 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.5 C1COCC(C1=O)F PB28362 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.5 C1C[C@@H](C(=O)NC1)N AB49759 [0,0,0,1,0,0|2,0,0]=3 43 B8R1.5 C1C[C@H](C(=O)NC1)N AB45380 [0,0,0,1,0,0|2,0,0]=3 44 B8R1.5 CC1C(=O)NCCN1 AB04135 [0,0,0,1,0,0|2,0,0]=3 45 B8R1.5 CC1C(=O)NCCO1 AB71412 [0,0,0,1,0,0|2,0,0]=3 46 B8R1.5 CC1C(OCCN1)C AB72725 [0,0,0,1,0,0|2,0,1]=4 47 B8R1.5 CC1CCNCC1=O PB36769 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.5 CC1CNCCC1=O PB23474 [0,0,0,1,0,0|2,0,0]=3 49 B8R1.5 CC1COCCC1=O PB26907 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.5 CN1CCNCC1=O PB24934 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.5 C[C@@H]1C(=O)NCCN1 AB76857 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.5 C[C@H]1C(=O)NCCN1 AB37140 [0,0,0,1,0,0|2,0,0]=3 53 B8R1.10 CCCOC1CNC1 AB30389 [0,0,0,1,0,0|2,0,1]=4 54 B8R1.22 C1CC(=O)CCNC1 PB26051 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.22 C1CC(=O)CCOC1 AB76453 [0,0,0,1,0,0|2,0,0]=3 56 B8R1.22 C1CNCC(=O)NC1 AB30280 [0,0,0,1,0,0|2,0,0]=3 57 B8R1.22 C1CNCCNC1=O AB07054 [0,0,0,1,0,0|2,0,0]=3 58 B8R1.38 C1CC(C1)C(=O)NN PB29240 [0,0,0,1,0,0|3,0,0]=4 59 B8R1.38 COC(=O)C1CCN1 MB03946 [0,0,0,1,0,0|3,0,0]=4 60 B8R1.38 COC(=O)C1CNC1 CB11044 [0,0,0,1,0,0|3,0,0]=4 61 B8R1.38 COC(=O)C1CNC1 PB17252 [0,0,0,1,0,0|3,0,0]=4 62 B8R1.38 COC(=O)[C@@H]1CCN1 PB15881 [0,0,0,1,0,0|3,0,0]=4 63 B8R1.38 COC(=O)[C@H]1CCN1 PB33618 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.40 COC(=O)CC1CC1 PB20704 [0,0,0,1,0,0|2,0,0]=3 65 B8R1.52 CC1(CCCO1)CN PB14687 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.83 COC(=O)[C@H]1C[C@@H]1N AB77059 [0,0,0,1,0,0|3,0,0]=4 67 B5R0.3 CCC(=O)C=O AB21438 [2,0,0,0,0,0|1,0,1]=4 68 B5R0.3 CCC(=O)NN PB26058 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.3 COC(=O)CN AB01112 [2,0,0,0,0,0|1,0,0]=3 70 B7R0.5 CC(C)C(=O)CC#N AB22304 [1,1,0,0,0,0|1,0,1]=4 71 B7R0.5 CCOC(=O)C(=O)N AB00911 [1,1,0,0,0,0|1,0,1]=4 72 B7R0.5 CCOC(=O)C(=S)N PB24589 [1,1,0,0,0,0|1,0,1]=4 73 B7R0.7 CCOC(=O)C#CC AB01182 [1,1,0,0,0,0|0,0,1]=3 74 B7R0.7 CCOC(=O)C[N+]#[C-] AB00104 [1,1,0,0,0,0|0,0,1]=3 75 B7R0.7 CCOC(=O)N=C=S AB00381 [1,1,0,0,0,0|1,0,1]=4 76 B7R0.7 COCC(=O)CC#N AB63823 [1,1,0,0,0,0|1,0,1]=4 77 B7R0.10 CCC(C(=O)OC)N AB16757 [1,1,0,0,0,0|1,0,0]=3 78 B7R0.4 CCCCO[N+](=O)[O-] AB01790 [1,1,0,0,0,0|2,0,0]=4 79 B7R0.6 CC(=O)CNC(=O)C AB02398 [1,1,0,0,0,0|1,0,1]=4 80 B9R0.18 C(CC(=O)CCCCl)CCl AB01251 [0,2,0,0,0,0|2,0,0]=4 81 B9R0.35 CCCC(=O)C(=O)OCC AB25061 [0,2,0,0,0,0|1,0,0]=3 82 B9R0.35 CCOC(=N)C(=O)OCC AB60910 [0,2,0,0,0,0|2,0,0]=4 83 B7R1.1 C1CC=C(C1)CBr PB30182 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.1 CCC1CCCN1 AB12042 [1,0,0,1,0,0|1,0,1]=4 85 B7R1.2 C1C(CNC1=O)N PB17844 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.2 C1[C@@H](CNC1=O)O PB23182 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.2 C1[C@H](CNC1=O)O AB05836 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.2 C1[C@H](CNC1=O)S PB29198 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.2 CN1CCC(=O)C1 PB26542 [1,0,0,1,0,0|1,0,0]=3 90 B7R1.3 C1CC(=O)CNC1 AB27650 [1,0,0,1,0,0|1,0,0]=3 91 B7R1.3 C1CC(=O)CNC1 PB26241 [1,0,0,1,0,0|1,0,0]=3 92 B7R1.3 C1CC(=O)COC1 PB27461 [1,0,0,1,0,0|1,0,0]=3 93 B7R1.3 C1CC(=O)CSC1 PB28980 [1,0,0,1,0,0|1,0,0]=3 94 B7R1.3 C1CCO[C@@H](C1)N MB06981 [1,0,0,1,0,0|1,0,1]=4 95 B7R1.3 C1CCO[C@H](C1)N MB06978 [1,0,0,1,0,0|1,0,1]=4 96 B7R1.3 C1CNC(=O)CN1 PB23229 [1,0,0,1,0,0|2,0,0]=4 97 B7R1.3 C1CNCCC1=O PB32095 [1,0,0,1,0,0|1,0,0]=3 98 B7R1.3 C1COC(=O)CN1 AB71646 [1,0,0,1,0,0|1,0,0]=3 99 B7R1.3 C1COCC(=O)N1 PB29100 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.3 C1COCCC1=O PB24536 [1,0,0,1,0,0|1,0,0]=3 101 B7R1.3 C1CSCCC1=O PB25896 [1,0,0,1,0,0|1,0,0]=3 102 B7R1.4 C1CNC(=O)[C@@H]1N AB64075 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.4 C1CNC(=O)[C@H]1N AB64072 [1,0,0,1,0,0|2,0,0]=4 104 B7R1.4 C1CNC(=O)[C@H]1O AB29512 [1,0,0,1,0,0|2,0,0]=4 105 B7R1.4 C1COC(=O)[C@@H]1O MB00930 [1,0,0,1,0,0|1,0,0]=3 106 B7R1.8 C1CC(=O)C1CO PB37542 [1,0,0,1,0,0|1,0,0]=3 107 B7R1.22 C1CC1C(=O)C=O AB62322 [1,0,0,1,0,0|1,0,1]=4 108 B7R1.22 C1CC1C(=O)CBr AB45693 [1,0,0,1,0,0|1,0,0]=3 109 B7R1.22 C1CC1C(=O)NN PB14101 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl CB11891 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.18 C1CN(C1)C(=O)O AB16585 [1,0,0,1,0,0|2,0,0]=4 112 B7R1.20 C1CC1CC(=O)O PB21648 [1,0,0,1,0,0|2,0,0]=4 113 B9R1.2 C1CC(NC(=O)C1)CO AB63547 [0,1,0,1,0,0|2,0,0]=4 114 B9R1.2 C1CNC(=O)CC1CN PB30164 [0,1,0,1,0,0|2,0,0]=4 115 B9R1.2 C1CNC(=O)CC1CO PB18227 [0,1,0,1,0,0|2,0,0]=4 116 B9R1.2 CCC1CCCC(=O)N1 CB11733 [0,1,0,1,0,0|1,0,0]=3 117 B9R1.2 CCC1COCC(=O)N1 AB56433 [0,1,0,1,0,0|1,0,0]=3 118 B9R1.7 CCOC1CCC(=O)N1 AB15019 [0,1,0,1,0,0|1,0,0]=3 119 B9R1.8 C1CCOC(C1)CCN AB28415 [0,1,0,1,0,0|1,0,1]=4 120 B9R1.8 CNCC1CCCCO1 AB45928 [0,1,0,1,0,0|1,0,1]=4 121 B9R1.15 CCC1C(=O)CCCN1 AB43253 [0,1,0,1,0,0|1,0,1]=4 122 B9R1.15 CCC1C(=O)NCCN1 AB22426 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.15 CCC1CCCCC1=O AB02693 [0,1,0,1,0,0|1,0,0]=3 124 B9R1.15 CCC1COCCC1=O AB75455 [0,1,0,1,0,0|2,0,0]=4 125 B9R1.15 CCN1CCNCC1=O AB30261 [0,1,0,1,0,0|2,0,0]=4 126 B9R1.15 CC[C@@H]1C(=O)NCCN1 AB37155 [0,1,0,1,0,0|2,0,0]=4 127 B9R1.15 CC[C@H]1C(=O)NCCN1 AB37151 [0,1,0,1,0,0|2,0,0]=4 128 B9R1.15 COC1COCCC1=O PB17702 [0,1,0,1,0,0|2,0,0]=4 129 B9R1.27 CCC1=C(CNC1=O)C AB04375 [0,1,0,1,0,0|1,0,1]=4 130 B9R1.33 CCCN1CCCC1=O AB51341 [0,1,0,1,0,0|1,0,0]=3 131 B9R1.48 CC1CC(=O)NCCN1 PB15399 [0,1,0,1,0,0|2,0,0]=4 132 B9R1.49 CN1CCCC(=O)CC1 AB42491 [0,1,0,1,0,0|1,0,0]=3 133 B9R1.69 CC1CN(CCC1=O)C AB03409 [0,1,0,1,0,0|2,0,0]=4 134 B9R1.69 CC1CNC(C(=O)N1)C AB71858 [0,1,0,1,0,0|2,0,0]=4 135 B9R1.69 CN1CC(CCC1=O)N PB13136 [0,1,0,1,0,0|2,0,0]=4 136 B9R1.69 C[C@@H]1CNC(=O)[C@@H](N1)C AB72319 [0,1,0,1,0,0|1,0,0]=3 137 B9R1.69 C[C@@H]1CNC(=O)[C@H](N1)C AB72313 [0,1,0,1,0,0|1,0,0]=3 138 B9R1.69 C[C@@H]1CN[C@@H](C(=O)N1)C AB72308 [0,1,0,1,0,0|2,0,0]=4 139 B9R1.69 C[C@@H]1CN[C@H](C(=O)N1)C AB72305 [0,1,0,1,0,0|2,0,0]=4 140 B9R1.69 C[C@H]1CNC(=O)[C@@H](N1)C AB72316 [0,1,0,1,0,0|1,0,0]=3 141 B9R1.69 C[C@H]1CNC(=O)[C@H](N1)C AB72314 [0,1,0,1,0,0|1,0,0]=3 142 B9R1.69 C[C@H]1CN[C@@H](C(=O)N1)C AB72311 [0,1,0,1,0,0|2,0,0]=4 143 B9R1.69 C[C@H]1CN[C@H](C(=O)N1)C AB72303 [0,1,0,1,0,0|2,0,0]=4 144 B9R1.73 C1CC(C1)C(=O)CC#N PB22087 [0,1,0,1,0,0|1,0,1]=4 145 B9R1.3 CN1CCCC(C1=O)N PB20691 [0,1,0,1,0,0|2,0,0]=4 146 B9R1.5 CN1CCNCCC1=O AB49613 [0,1,0,1,0,0|2,0,0]=4 147 B9R1.11 C1CC(OC1)C(=O)NN AB11571 [0,1,0,1,0,0|2,0,0]=4 148 B9R1.11 COC(=O)C1CCNC1 PB20842 [0,1,0,1,0,0|2,0,0]=4 149 B9R1.11 COC(=O)C1CCOC1 PB14439 [0,1,0,1,0,0|2,0,0]=4 150 B9R1.11 COC(=O)[C@@H]1CCCN1 AB16177 [0,1,0,1,0,0|2,0,0]=4 151 B9R1.11 COC(=O)[C@@H]1CCNC1 PB24127 [0,1,0,1,0,0|2,0,0]=4 152 B9R1.11 COC(=O)[C@@H]1CCOC1 PB21424 [0,1,0,1,0,0|2,0,0]=4 153 B9R1.11 COC(=O)[C@H]1CCNC1 PB24144 [0,1,0,1,0,0|2,0,0]=4 154 B9R1.11 COC(=O)[C@H]1CCOC1 PB21418 [0,1,0,1,0,0|2,0,0]=4 155 B9R1.82 COC(=O)C1CC(C1)Cl PB19451 [0,1,0,1,0,0|2,0,0]=4 156 B9R1.82 COC(=O)C1CC(C1)O PB33903 [0,1,0,1,0,0|2,0,0]=4 157 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)N PB33409 [0,1,0,1,0,0|2,0,0]=4 158 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)O PB11695 [0,1,0,1,0,0|2,0,0]=4 159 B9R1.82 COC(=O)[C@H]1C[C@H](C1)N PB13348 [0,1,0,1,0,0|2,0,0]=4 160 B9R1.82 COC(=O)[C@H]1C[C@H](C1)O PB16819 [0,1,0,1,0,0|2,0,0]=4 161 B9R1.101 COC(=O)C(C1CC1)N CB11621 [0,1,0,1,0,0|2,0,0]=4 162 B9R1.132 CN1C(CCC1=O)CO MB69102 [0,1,0,1,0,0|2,0,0]=4 163 B9R1.1 C1CC(=O)CCC1C=O AB21200 [0,1,0,1,0,0|1,0,1]=4 164 B9R1.79 COC(=O)CC1CNC1 PB34937 [0,1,0,1,0,0|2,0,0]=4 165 B9R1.79 COC(=O)CC1COC1 PB11364 [0,1,0,1,0,0|2,0,0]=4 166 B9R1.40 CC1(C(=O)NCCN1)C AB09796 [0,1,0,1,0,0|2,0,0]=4 167 B9R1.40 CC1(C(=O)NCCO1)C AB71828 [0,1,0,1,0,0|2,0,0]=4 168 B9R1.40 CC1(CNCCC1=O)C PB31517 [0,1,0,1,0,0|2,0,0]=4 169 B9R1.10 C1CC(CCC1=O)(F)F PB10513 [0,1,0,1,0,0|2,0,0]=4 170 B9R1.10 C1CC(CNC1=O)(F)F PB13829 [0,1,0,1,0,0|2,0,0]=4 171 B9R2.19 C1C2CNC(=O)C1N2 PB31914 [0,0,0,2,0,0|2,0,0]=4