0 B7R0.7 CCOC(=O)C#CC AB01182 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.7 CCOC(=O)C[N+]#[C-] AB00104 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.7 CCOC(=O)N=C=S AB00381 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.7 COCC(=O)CC#N AB63823 [0,0,0,0,0,0|3,0,1]=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|1,1,0]=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|2,0,0]=3 10 B6R0.1 COC(=O)CC#C AB11822 [1,0,0,0,0,0|1,0,1]=3 11 B6R0.1 COC(=O)\C=C\N AB31601 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.6 CCCNCCC AB02251 [1,0,0,0,0,0|3,0,0]=4 13 B8R0.1 CCOC(=O)CN=C=O AB00195 [0,1,0,0,0,0|0,1,1]=3 14 B8R0.3 CCOC(=O)[C@H](CO)N AB46080 [0,1,0,0,0,0|0,1,0]=2 15 B8R0.5 CCOC(=O)CC(=N)N AB29705 [0,1,0,0,0,0|1,0,1]=3 16 B8R0.5 CCOC(=O)CC(=O)O AB01280 [0,1,0,0,0,0|0,1,1]=3 17 B8R0.5 CCOC(=O)CC(=O)[O-] AB01563 [0,1,0,0,0,0|0,1,1]=3 18 B8R0.5 CCOC(=O)CC(F)F AB71794 [0,1,0,0,0,0|1,0,0]=2 19 B8R1.4 C1CNC(=O)CC1=O PB20308 [0,0,0,1,0,0|1,1,1]=4 20 B8R1.4 C1CNC(=O)CC1N PB11631 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.4 C1CNC(=O)C[C@@H]1O AB29511 [0,0,0,1,0,0|1,1,0]=3 22 B8R1.4 C1CNC(=O)OC1=O AB27597 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.4 CC1CC(=O)CCN1 PB18889 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.4 CC1CC(=O)CCO1 PB18115 [0,0,0,1,0,0|1,1,0]=3 25 B8R1.4 CC1CC(CCO1)O PB22789 [0,0,0,1,0,0|1,1,1]=4 26 B8R1.4 CC1CNCC(=O)N1 AB37299 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.4 CN1CCCC(=O)C1 AB39316 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [0,0,0,1,0,0|1,1,0]=3 29 B8R1.4 C[C@@H]1CNCC(=O)N1 AB37303 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [0,0,0,1,0,0|1,1,0]=3 31 B8R1.4 C[C@H]1CNCC(=O)N1 AB37302 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.6 CCOC1CC(C1)N PB35675 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.6 CCO[C@H]1C[C@@H](C1)N PB36228 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.6 CCO[C@H]1C[C@H](C1)N PB37547 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.8 C1CC(OC1)CCI AB76593 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.8 C1CC(OC1)CCN AB30605 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.8 CCO[C@@H]1CCNC1 PB10951 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.8 CCO[C@H]1CCNC1 PB29117 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.11 C1CC(=O)C(=C1)CO MB05797 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.18 CC1C(=O)NC(=O)O1 AB26261 [0,0,0,1,0,0|1,1,1]=4 41 B8R1.22 C1CC(=O)CCNC1 PB26051 [0,0,0,1,0,0|2,0,0]=3 42 B8R1.22 C1CC(=O)CCOC1 AB76453 [0,0,0,1,0,0|1,1,0]=3 43 B8R1.22 C1CNCC(=O)NC1 AB30280 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.22 C1CNCCNC1=O AB07054 [0,0,0,1,0,0|2,0,0]=3 45 B8R1.37 C1CC1C(=O)CC#N PB26127 [0,0,0,1,0,0|2,0,1]=4 46 B5R0.1 C#CCC(=O)O AB11673 [2,0,0,0,0,0|1,0,1]=4 47 B5R0.3 CCC(=O)C=O AB21438 [2,0,0,0,0,0|0,1,1]=4 48 B5R0.3 CCC(=O)NN PB26058 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.3 COC(=O)CN AB01112 [2,0,0,0,0,0|1,0,0]=3 50 B7R0.3 COC(=O)CCC=C AB16906 [1,1,0,0,0,0|1,0,0]=3 51 B7R0.3 COC(=O)CCCO AB65249 [1,1,0,0,0,0|0,1,0]=3 52 B7R0.5 CC(C)C(=O)CC#N AB22304 [1,1,0,0,0,0|1,0,1]=4 53 B7R0.5 CCOC(=O)C(=O)N AB00911 [1,1,0,0,0,0|0,1,1]=4 54 B7R0.5 CCOC(=O)C(=S)N PB24589 [1,1,0,0,0,0|0,0,2]=4 55 B7R0.10 CCC(C(=O)OC)N AB16757 [1,1,0,0,0,0|1,0,0]=3 56 B9R0.5 CCOC(=O)CCN=C=O AB03009 [0,2,0,0,0,0|0,1,0]=3 57 B9R0.18 C(CC(=O)CCCCl)CCl AB01251 [0,2,0,0,0,0|2,0,0]=4 58 B9R0.34 CCOC(=O)CC(C=C)O MB69298 [0,2,0,0,0,0|0,1,0]=3 59 B9R0.34 CCOC(=O)CC(C=O)Cl AB76485 [0,2,0,0,0,0|0,1,0]=3 60 B9R0.35 CCCC(=O)C(=O)OCC AB25061 [0,2,0,0,0,0|1,0,0]=3 61 B9R0.35 CCOC(=N)C(=O)OCC AB60910 [0,2,0,0,0,0|1,0,1]=4 62 B9R0.48 CCOC(=O)CC[N+](=O)[O-] MB00654 [0,2,0,0,0,0|0,1,0]=3 63 B9R0.19 CCC(C)(C(=O)OCC)N AB12009 [0,2,0,0,0,0|1,0,0]=3 64 B9R0.19 CC[C@](C)(C(=O)OCC)N AB26229 [0,2,0,0,0,0|1,0,0]=3 65 B9R0.37 CCOC(=O)C(C=O)C=O PB13383 [0,2,0,0,0,0|0,1,1]=4 66 B9R0.44 CC(C)(C)OC(=O)CC#N AB00182 [0,2,0,0,0,0|1,0,1]=4 67 B7R1.2 C1C(CNC1=O)N PB17844 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.2 C1[C@@H](CNC1=O)O PB23182 [1,0,0,1,0,0|1,1,0]=4 69 B7R1.2 C1[C@H](CNC1=O)O AB05836 [1,0,0,1,0,0|1,1,0]=4 70 B7R1.2 C1[C@H](CNC1=O)S PB29198 [1,0,0,1,0,0|1,0,0]=3 71 B7R1.2 CN1CCC(=O)C1 PB26542 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.3 C1CC(=O)CNC1 AB27650 [1,0,0,1,0,0|2,0,0]=4 73 B7R1.3 C1CC(=O)CNC1 PB26241 [1,0,0,1,0,0|2,0,0]=4 74 B7R1.3 C1CC(=O)COC1 PB27461 [1,0,0,1,0,0|1,1,0]=4 75 B7R1.3 C1CC(=O)CSC1 PB28980 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.3 C1CCO[C@@H](C1)N MB06981 [1,0,0,1,0,0|1,0,1]=4 77 B7R1.3 C1CCO[C@H](C1)N MB06978 [1,0,0,1,0,0|1,0,1]=4 78 B7R1.3 C1CNC(=O)CN1 PB23229 [1,0,0,1,0,0|2,0,0]=4 79 B7R1.3 C1CNCCC1=O PB32095 [1,0,0,1,0,0|1,0,0]=3 80 B7R1.3 C1COC(=O)CN1 AB71646 [1,0,0,1,0,0|1,0,0]=3 81 B7R1.3 C1COCC(=O)N1 PB29100 [1,0,0,1,0,0|1,1,0]=4 82 B7R1.3 C1COCCC1=O PB24536 [1,0,0,1,0,0|0,1,0]=3 83 B7R1.3 C1CSCCC1=O PB25896 [1,0,0,1,0,0|0,0,0]=2 84 B7R1.3 C1CSCCC1N AB32569 [1,0,0,1,0,0|1,0,1]=4 85 B7R1.4 C1CNC(=O)[C@@H]1N AB64075 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.4 C1CNC(=O)[C@H]1N AB64072 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.4 C1CNC(=O)[C@H]1O AB29512 [1,0,0,1,0,0|1,1,0]=4 88 B7R1.4 C1COC(=O)[C@@H]1O MB00930 [1,0,0,1,0,0|0,1,0]=3 89 B7R1.8 C1CC(=O)C1CO PB37542 [1,0,0,1,0,0|0,1,0]=3 90 B7R1.22 C1CC1C(=O)CBr AB45693 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.2 C1CC(NC(=O)C1)CO AB63547 [0,1,0,1,0,0|1,1,0]=4 92 B9R1.2 C1CNC(=O)CC1CN PB30164 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.2 C1CNC(=O)CC1CO PB18227 [0,1,0,1,0,0|1,1,0]=4 94 B9R1.2 CCC1CCCC(=O)N1 CB11733 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.15 CCC1C(=O)CCCN1 AB43253 [0,1,0,1,0,0|2,0,0]=4 96 B9R1.15 CCC1C(=O)NCCN1 AB22426 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.15 CCC1CCCCC1=O AB02693 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.15 CCC1COCCC1=O AB75455 [0,1,0,1,0,0|1,1,0]=4 99 B9R1.15 CCN1CCNCC1=O AB30261 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.15 CC[C@@H]1C(=O)NCCN1 AB37155 [0,1,0,1,0,0|2,0,0]=4 101 B9R1.15 CC[C@H]1C(=O)NCCN1 AB37151 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.33 CCCN1CCCC1=O AB51341 [0,1,0,1,0,0|2,0,0]=4 103 B9R1.48 CC1CC(=O)NCCN1 PB15399 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.49 CN1CCCC(=O)CC1 AB42491 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.5 CN1CCNCCC1=O AB49613 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.137 CC(C)OC(=O)C1CC1 AB21119 [0,1,0,1,0,0|1,0,0]=3