0 B8R0.1 CCOC(=O)CN=C=O AB00195 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.3 COC(=O)CCC=C AB16906 [1,0,0,0,0,0|0,0,2]=3 2 B7R0.3 COC(=O)CCCO AB65249 [1,0,0,0,0,0|1,0,0]=2 3 B7R0.7 CCOC(=O)C#CC AB01182 [1,0,0,0,0,0|0,0,2]=3 4 B7R0.7 CCOC(=O)C[N+]#[C-] AB00104 [1,0,0,0,0,0|1,0,1]=3 5 B7R0.7 CCOC(=O)N=C=S AB00381 [1,0,0,0,0,0|2,0,1]=4 6 B9R0.5 CCOC(=O)CCN=C=O AB03009 [0,1,0,0,0,0|1,0,1]=3 7 B9R0.18 C(CC(=O)CCCCl)CCl AB01251 [0,1,0,0,0,0|2,0,0]=3 8 B9R0.34 CCOC(=O)CC(C=C)O MB69298 [0,1,0,0,0,0|0,0,2]=3 9 B9R0.34 CCOC(=O)CC(C=O)Cl AB76485 [0,1,0,0,0,0|1,0,1]=3 10 B9R0.35 CCCC(=O)C(=O)OCC AB25061 [0,1,0,0,0,0|0,0,1]=2 11 B9R0.35 CCOC(=N)C(=O)OCC AB60910 [0,1,0,0,0,0|1,0,1]=3 12 B9R0.48 CCOC(=O)CC[N+](=O)[O-] MB00654 [0,1,0,0,0,0|2,0,0]=3 13 B9R1.2 C1CC(NC(=O)C1)CO AB63547 [0,0,0,1,0,0|3,0,0]=4 14 B9R1.2 C1CNC(=O)CC1CN PB30164 [0,0,0,1,0,0|2,0,0]=3 15 B9R1.2 C1CNC(=O)CC1CO PB18227 [0,0,0,1,0,0|2,0,0]=3 16 B9R1.2 CCC1CCCC(=O)N1 CB11733 [0,0,0,1,0,0|2,0,0]=3 17 B9R1.2 CCC1COCC(=O)N1 AB56433 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.8 CCOC1CCNCC1 AB30382 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.12 CCCCC1CCCN1 AB12052 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.15 CCC1C(=O)CCCN1 AB43253 [0,0,0,1,0,0|2,0,0]=3 21 B9R1.15 CCC1C(=O)NCCN1 AB22426 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.15 CCC1CCCCC1=O AB02693 [0,0,0,1,0,0|1,0,0]=2 23 B9R1.15 CCC1COCCC1=O AB75455 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.15 CCN1CCNCC1=O AB30261 [0,0,0,1,0,0|2,0,0]=3 25 B9R1.15 CC[C@@H]1C(=O)NCCN1 AB37155 [0,0,0,1,0,0|3,0,0]=4 26 B9R1.15 CC[C@H]1C(=O)NCCN1 AB37151 [0,0,0,1,0,0|3,0,0]=4 27 B9R1.15 COC1COCCC1=O PB17702 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.27 CCC1=C(CNC1=O)C AB04375 [0,0,0,1,0,0|2,0,1]=4 29 B9R1.33 CCCN1CCCC1=O AB51341 [0,0,0,1,0,0|2,0,0]=3 30 B9R1.48 CC1CC(=O)NCCN1 PB15399 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.49 CN1CCCC(=O)CC1 AB42491 [0,0,0,1,0,0|2,0,0]=3 32 B9R1.73 C1CC(C1)C(=O)CC#N PB22087 [0,0,0,1,0,0|2,0,1]=4 33 B6R0.6 CCCNCCC AB02251 [2,0,0,0,0,0|1,0,1]=4 34 B6R0.1 CCOC(=N)CCl AB60917 [2,0,0,0,0,0|2,0,0]=4 35 B6R0.1 CCOC(=N)CO AB60920 [2,0,0,0,0,0|2,0,0]=4 36 B6R0.1 CCOC(=O)C#N PB24520 [2,0,0,0,0,0|1,0,1]=4 37 B6R0.1 COC(=N)CCCl AB61008 [2,0,0,0,0,0|2,0,0]=4 38 B6R0.1 COC(=O)CC#C AB11822 [2,0,0,0,0,0|0,0,2]=4 39 B6R0.4 C#CCCC(=O)O CB10019 [2,0,0,0,0,0|0,0,2]=4 40 B8R0.5 CCOC(=O)CC(=N)N AB29705 [1,1,0,0,0,0|1,0,1]=4 41 B8R0.5 CCOC(=O)CC(=O)O AB01280 [1,1,0,0,0,0|1,0,1]=4 42 B8R0.5 CCOC(=O)CC(=O)[O-] AB01563 [1,1,0,0,0,0|1,0,1]=4 43 B8R0.5 CCOC(=O)CC(F)F AB71794 [1,1,0,0,0,0|1,0,0]=3 44 B10R0.28 CC(C)(C)OC(=O)NCCI AB55263 [0,2,0,0,0,0|2,0,0]=4 45 B10R0.28 CC(C)(C)OC(=O)NCCN AB04628 [0,2,0,0,0,0|2,0,0]=4 46 B10R0.2 CCOC(=N)CC(=O)OCC AB02114 [0,2,0,0,0,0|0,0,1]=3 47 B10R0.2 CCOC(=O)C[C@@H](CC#N)O AB05567 [0,2,0,0,0,0|0,0,1]=3 48 B10R0.19 CCCCC(=O)C(=O)OCC PB13106 [0,2,0,0,0,0|0,0,0]=2 49 B10R0.108 CCOC(=O)CCC(=O)CBr AB69626 [0,2,0,0,0,0|0,0,1]=3 50 B10R0.34 CC\C(=C\C(=O)OCC)\OC AB84923 [0,2,0,0,0,0|0,0,2]=4 51 B10R0.129 CCCC(C)(C(=O)OCC)N AB12007 [0,2,0,0,0,0|0,0,0]=2 52 B8R1.2 C1CCC(=CC1)CBr PB28658 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.2 C1COCCC1CBr PB20063 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.2 C1COCCC1CCl AB71513 [1,0,0,1,0,0|1,0,1]=4 55 B8R1.2 C1COCCC1CI PB24898 [1,0,0,1,0,0|1,0,1]=4 56 B8R1.2 C1COCCC1CN AB14272 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.2 C1COCCC1CN PB27569 [1,0,0,1,0,0|1,0,1]=4 58 B8R1.2 C1COCCC1CO PB18487 [1,0,0,1,0,0|1,0,1]=4 59 B8R1.2 CNC1CCOCC1 PB29392 [1,0,0,1,0,0|1,0,1]=4 60 B8R1.5 CC1C(OCCN1)C AB72725 [1,0,0,1,0,0|1,0,1]=4 61 B8R1.8 C1COCC1CCI AB75456 [1,0,0,1,0,0|1,0,1]=4 62 B8R1.8 C1COCC1CCN AB45457 [1,0,0,1,0,0|1,0,1]=4 63 B8R1.8 CCCC1CCCN1 AB12028 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.8 CCO[C@@H]1CCNC1 PB10951 [1,0,0,1,0,0|1,0,1]=4 65 B8R1.8 CCO[C@H]1CCNC1 PB29117 [1,0,0,1,0,0|1,0,1]=4 66 B8R1.22 C1CC(CCOC1)N AB70734 [1,0,0,1,0,0|1,0,1]=4 67 B8R1.1 C1C(CNC1=O)CN PB10686 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.1 C1C(CNC1=O)CO PB26709 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.1 C1CC(=O)NC1CN AB28123 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.1 C1CC(=O)N[C@@H]1CCl MB07054 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.1 C1CC(=O)N[C@@H]1CN AB28507 [1,0,0,1,0,0|2,0,0]=4 72 B8R1.1 C1CC(=O)N[C@H]1CCl MB06934 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.1 C1CC(=O)N[C@H]1CN AB28509 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.1 C1CC(=O)N[C@H]1CO AB02985 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.1 C1[C@@H](CNC1=O)CN PB39244 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.1 C1[C@@H](COC1=O)CF MB10069 [1,0,0,1,0,0|1,0,0]=3 77 B8R1.1 C1[C@H](CNC1=O)CN PB37026 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.1 C1[C@H](COC1=O)CF MB19704 [1,0,0,1,0,0|1,0,0]=3 79 B8R1.3 C1CC(=O)CCC1N AB26267 [1,0,0,1,0,0|1,0,0]=3 80 B8R1.3 C1CC(=O)NCC1N PB22229 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.3 CC1CNC(=O)CN1 AB37204 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.3 CC1CNC(=O)CO1 AB71787 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.3 C[C@@H]1CNC(=O)CN1 AB37209 [1,0,0,1,0,0|2,0,0]=4 84 B8R1.3 C[C@H]1CNC(=O)CN1 AB37206 [1,0,0,1,0,0|2,0,0]=4 85 B8R1.38 C1CC(C1)C(=O)NN PB29240 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.38 COC(=O)C1CCN1 MB03946 [1,0,0,1,0,0|1,0,0]=3 87 B8R1.38 COC(=O)C1CNC1 CB11044 [1,0,0,1,0,0|1,0,0]=3 88 B8R1.38 COC(=O)C1CNC1 PB17252 [1,0,0,1,0,0|1,0,0]=3 89 B8R1.38 COC(=O)[C@@H]1CCN1 PB15881 [1,0,0,1,0,0|1,0,0]=3 90 B8R1.38 COC(=O)[C@H]1CCN1 PB33618 [1,0,0,1,0,0|1,0,0]=3 91 B8R1.40 COC(=O)CC1CC1 PB20704 [1,0,0,1,0,0|0,0,0]=2 92 B8R1.83 COC(=O)[C@H]1C[C@@H]1N AB77059 [1,0,0,1,0,0|1,0,0]=3 93 B8R1.4 C1CNC(=O)CC1N PB11631 [1,0,0,1,0,0|2,0,0]=4 94 B8R1.4 C1CNC(=O)C[C@@H]1O AB29511 [1,0,0,1,0,0|2,0,0]=4 95 B8R1.4 CC1CC(=O)CCN1 PB18889 [1,0,0,1,0,0|2,0,0]=4 96 B8R1.4 CC1CC(=O)CCO1 PB18115 [1,0,0,1,0,0|2,0,0]=4 97 B8R1.4 CC1CNCC(=O)N1 AB37299 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.4 CN1CCCC(=O)C1 AB39316 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.4 C[C@@H]1CNCC(=O)N1 AB37303 [1,0,0,1,0,0|2,0,0]=4 101 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.4 C[C@H]1CNCC(=O)N1 AB37302 [1,0,0,1,0,0|2,0,0]=4 103 B10R1.61 CC(=O)N1CCCCC1=O AB52501 [0,1,0,1,0,0|1,0,1]=4 104 B10R1.61 CC(C)N1CCNCC1=O AB37013 [0,1,0,1,0,0|2,0,0]=4 105 B10R1.10 CCCC1COCC(=O)N1 AB72706 [0,1,0,1,0,0|2,0,0]=4 106 B10R1.11 CCOC(=O)C1CC=CC1 AB24924 [0,1,0,1,0,0|0,0,1]=3 107 B10R1.29 CCCCN1CCCC1=O AB01298 [0,1,0,1,0,0|1,0,0]=3 108 B10R1.137 CCOC(=O)C=C1COC1 PB19291 [0,1,0,1,0,0|0,0,2]=4 109 B10R1.186 CCCCOC(=O)C1CC1 AB14228 [0,1,0,1,0,0|1,0,0]=3 110 B10R1.176 CN1CCC(CC1=O)CN PB16684 [0,1,0,1,0,0|2,0,0]=4 111 B10R1.176 CN1CCC(CC1=O)CO PB24273 [0,1,0,1,0,0|2,0,0]=4 112 B10R1.4 C1CN(C(=O)OC1)CCN CB11335 [0,1,0,1,0,0|2,0,0]=4 113 B10R1.4 CCCC1CCNCC1=O AB59855 [0,1,0,1,0,0|1,0,0]=3 114 B10R1.4 CCCC1COCCC1=O AB76451 [0,1,0,1,0,0|1,0,0]=3 115 B10R1.4 CSCC1C(=O)NCCN1 AB37168 [0,1,0,1,0,0|2,0,0]=4 116 B10R1.4 CSC[C@@H]1C(=O)NCCN1 AB37173 [0,1,0,1,0,0|2,0,0]=4 117 B10R1.4 CSC[C@H]1C(=O)NCCN1 AB37170 [0,1,0,1,0,0|2,0,0]=4 118 B10R1.149 C1COC(=O)C1C(=O)CCl AB13908 [0,1,0,1,0,0|1,0,1]=4 119 B10R1.140 CCOC(=O)C1CC(C1)O PB10706 [0,1,0,1,0,0|0,0,0]=2 120 B10R1.113 CC(C)N1CCCC(=O)C1 AB39319 [0,1,0,1,0,0|2,0,0]=4 121 B10R2.62 C1[C@@H]2C(=O)N[C@H](C1)CC2 PB30124 [0,0,0,2,0,0|2,0,0]=4 122 B10R2.71 C1CC2CC(=O)CC1O2 PB37880 [0,0,0,2,0,0|2,0,0]=4 123 B10R2.71 C1C[C@H]2CC(=O)C[C@@H]1N2 PB18614 [0,0,0,2,0,0|2,0,0]=4 124 B10R2.32 C1CC(=O)C2C1CNC2 PB32434 [0,0,0,2,0,0|2,0,0]=4 125 B10R2.32 C1CC2C(=O)CCN2C1 AB27646 [0,0,0,2,0,0|2,0,0]=4 126 B10R2.32 C1CN[C@H]2[C@@H]1CNC2=O PB31139 [0,0,0,2,0,0|2,0,0]=4 127 B10R2.178 C1CC2C(=O)CCC1N2 PB36488 [0,0,0,2,0,0|2,0,0]=4 128 B10R2.15 C1CC12CCNCC2=O PB36536 [0,0,0,2,0,0|2,0,0]=4 129 B10R2.41 C1CC2CNCC1C2=O PB30498 [0,0,0,2,0,0|2,0,0]=4