0 B7R0.3 COC(=O)CCCO AB65249 [1,0,0,0,0,0|3,0,0]=4 1 B7R0.7 CCOC(=O)C#CC AB01182 [1,0,0,0,0,0|0,0,2]=3 2 B7R0.7 CCOC(=O)C[N+]#[C-] AB00104 [1,0,0,0,0,0|1,0,1]=3 3 B7R0.7 CCOC(=O)N=C=S AB00381 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.7 COCC(=O)CC#N AB63823 [1,0,0,0,0,0|2,0,1]=4 5 B9R0.18 C(CC(=O)CCCCl)CCl AB01251 [0,1,0,0,0,0|2,0,0]=3 6 B9R0.35 CCCC(=O)C(=O)OCC AB25061 [0,1,0,0,0,0|2,0,0]=3 7 B9R0.35 CCOC(=N)C(=O)OCC AB60910 [0,1,0,0,0,0|3,0,0]=4 8 B9R1.2 C1CC(NC(=O)C1)CO AB63547 [0,0,0,1,0,0|2,0,0]=3 9 B9R1.2 C1CNC(=O)CC1CN PB30164 [0,0,0,1,0,0|3,0,0]=4 10 B9R1.2 C1CNC(=O)CC1CO PB18227 [0,0,0,1,0,0|3,0,0]=4 11 B9R1.2 CCC1CCCC(=O)N1 CB11733 [0,0,0,1,0,0|1,0,0]=2 12 B9R1.2 CCC1COCC(=O)N1 AB56433 [0,0,0,1,0,0|2,0,0]=3 13 B9R1.8 C1CCOC(C1)CCN AB28415 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.8 CCCC1CNCCO1 AB70522 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.8 CNCC1CCCCO1 AB45928 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.12 CCCCC1CCCN1 AB12052 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.15 CCC1C(=O)CCCN1 AB43253 [0,0,0,1,0,0|2,0,0]=3 18 B9R1.15 CCC1C(=O)NCCN1 AB22426 [0,0,0,1,0,0|2,0,0]=3 19 B9R1.15 CCC1CCCCC1=O AB02693 [0,0,0,1,0,0|1,0,0]=2 20 B9R1.15 CCC1COCCC1=O AB75455 [0,0,0,1,0,0|2,0,0]=3 21 B9R1.15 CCN1CCNCC1=O AB30261 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.15 CC[C@@H]1C(=O)NCCN1 AB37155 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.15 CC[C@H]1C(=O)NCCN1 AB37151 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.15 COC1COCCC1=O PB17702 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.27 CCC1=C(CNC1=O)C AB04375 [0,0,0,1,0,0|1,0,2]=4 26 B9R1.33 CCCN1CCCC1=O AB51341 [0,0,0,1,0,0|1,0,0]=2 27 B9R1.48 CC1CC(=O)NCCN1 PB15399 [0,0,0,1,0,0|2,0,0]=3 28 B9R1.49 CN1CCCC(=O)CC1 AB42491 [0,0,0,1,0,0|2,0,0]=3 29 B9R1.73 C1CC(C1)C(=O)CC#N PB22087 [0,0,0,1,0,0|2,0,1]=4 30 B6R0.6 CCCNCCC AB02251 [2,0,0,0,0,0|1,0,0]=3 31 B6R0.1 CCOC(=N)CCl AB60917 [2,0,0,0,0,0|2,0,0]=4 32 B6R0.1 CCOC(=N)CO AB60920 [2,0,0,0,0,0|2,0,0]=4 33 B6R0.1 CCOC(=O)C#N PB24520 [2,0,0,0,0,0|1,0,1]=4 34 B6R0.1 COC(=N)CCCl AB61008 [2,0,0,0,0,0|2,0,0]=4 35 B6R0.1 COC(=O)CC#C AB11822 [2,0,0,0,0,0|0,0,2]=4 36 B8R0.5 CCOC(=O)CC(=N)N AB29705 [1,1,0,0,0,0|1,0,1]=4 37 B8R0.5 CCOC(=O)CC(=O)O AB01280 [1,1,0,0,0,0|1,0,1]=4 38 B8R0.5 CCOC(=O)CC(=O)[O-] AB01563 [1,1,0,0,0,0|1,0,1]=4 39 B8R0.5 CCOC(=O)CC(F)F AB71794 [1,1,0,0,0,0|1,0,0]=3 40 B10R0.19 CCCCC(=O)C(=O)OCC PB13106 [0,2,0,0,0,0|1,0,1]=4 41 B10R0.129 CCCC(C)(C(=O)OCC)N AB12007 [0,2,0,0,0,0|2,0,0]=4 42 B8R1.2 C1CC(COC1)CBr PB14565 [1,0,0,1,0,0|1,0,1]=4 43 B8R1.2 C1CC(COC1)CN PB23481 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.2 C1CC(COC1)CO PB12514 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.2 C1CCOC(C1)CBr MB00206 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.2 C1CCOC(C1)CN AB28292 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.2 C1CCOC(C1)CO AB00784 [1,0,0,1,0,0|1,0,1]=4 48 B8R1.2 CCC1CNCCO1 AB49621 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.2 CCC1COCCN1 AB49617 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.5 C[C@@H]1COCC[C@H]1N PB28883 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.5 C[C@H]1COCC[C@H]1N PB19784 [1,0,0,1,0,0|1,0,1]=4 52 B8R1.8 C1CC(OC1)CCI AB76593 [1,0,0,1,0,0|1,0,1]=4 53 B8R1.8 C1CC(OC1)CCN AB30605 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.8 CCCC1CCCN1 AB12028 [1,0,0,1,0,0|1,0,1]=4 55 B8R1.10 CCCOC1CNC1 AB30389 [1,0,0,1,0,0|1,0,1]=4 56 B8R1.22 C1CC(CCOC1)N AB70734 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.1 C1CC(=O)NC1CN AB28123 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.1 C1CC(=O)N[C@@H]1CCl MB07054 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.1 C1CC(=O)N[C@@H]1CN AB28507 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.1 C1CC(=O)N[C@H]1CCl MB06934 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.1 C1CC(=O)N[C@H]1CN AB28509 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.1 C1CC(=O)N[C@H]1CO AB02985 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.3 C1CC(=O)CCC1N AB26267 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.3 C1CC(=O)NCC1N PB22229 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.3 CC1CNC(=O)CN1 AB37204 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.3 CC1CNC(=O)CO1 AB71787 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.3 C[C@@H]1CNC(=O)CN1 AB37209 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.3 C[C@H]1CNC(=O)CN1 AB37206 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.40 COC(=O)CC1CC1 PB20704 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.4 C1CNC(=O)CC1N PB11631 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.4 C1CNC(=O)C[C@@H]1O AB29511 [1,0,0,1,0,0|2,0,0]=4 72 B8R1.4 CC1CC(=O)CCN1 PB18889 [1,0,0,1,0,0|1,0,0]=3 73 B8R1.4 CC1CC(=O)CCO1 PB18115 [1,0,0,1,0,0|1,0,0]=3 74 B8R1.4 CC1CNCC(=O)N1 AB37299 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.4 CN1CCCC(=O)C1 AB39316 [1,0,0,1,0,0|1,0,0]=3 76 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [1,0,0,1,0,0|1,0,0]=3 77 B8R1.4 C[C@@H]1CNCC(=O)N1 AB37303 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [1,0,0,1,0,0|1,0,0]=3 79 B8R1.4 C[C@H]1CNCC(=O)N1 AB37302 [1,0,0,1,0,0|2,0,0]=4 80 B8R1.37 C1CC1C(=O)CC#N PB26127 [1,0,0,1,0,0|1,0,1]=4 81 B10R1.61 CC(C)C1C(=O)NCCN1 AB05504 [0,1,0,1,0,0|2,0,0]=4 82 B10R1.61 CC(C)[C@@H]1C(=O)NCCN1 AB37161 [0,1,0,1,0,0|2,0,0]=4 83 B10R1.61 CC(C)[C@H]1C(=O)NCCN1 AB37158 [0,1,0,1,0,0|2,0,0]=4 84 B10R1.10 CCCC1COCC(=O)N1 AB72706 [0,1,0,1,0,0|2,0,0]=4 85 B10R1.10 CSCC1CNCC(=O)N1 AB37322 [0,1,0,1,0,0|2,0,0]=4 86 B10R1.10 CSC[C@@H]1CNCC(=O)N1 AB37326 [0,1,0,1,0,0|2,0,0]=4 87 B10R1.10 CSC[C@H]1CNCC(=O)N1 AB37323 [0,1,0,1,0,0|2,0,0]=4 88 B10R1.29 CCCCN1CCCC1=O AB01298 [0,1,0,1,0,0|1,0,0]=3 89 B10R1.186 CCCCOC(=O)C1CC1 AB14228 [0,1,0,1,0,0|0,0,0]=2 90 B10R1.4 C1CN(C(=O)OC1)CCN CB11335 [0,1,0,1,0,0|1,0,0]=3 91 B10R1.4 CCCC1CCNCC1=O AB59855 [0,1,0,1,0,0|1,0,0]=3 92 B10R1.4 CCCC1COCCC1=O AB76451 [0,1,0,1,0,0|1,0,0]=3 93 B10R1.4 CSCC1C(=O)NCCN1 AB37168 [0,1,0,1,0,0|2,0,0]=4 94 B10R1.4 CSC[C@@H]1C(=O)NCCN1 AB37173 [0,1,0,1,0,0|2,0,0]=4 95 B10R1.4 CSC[C@H]1C(=O)NCCN1 AB37170 [0,1,0,1,0,0|2,0,0]=4 96 B10R1.17 CCCOC1CCNCC1 AB23647 [0,1,0,1,0,0|1,0,1]=4 97 B10R1.17 CNCCC1CCCCO1 AB28412 [0,1,0,1,0,0|1,0,1]=4 98 B10R1.140 CCOC(=O)C1CC(C1)O PB10706 [0,1,0,1,0,0|2,0,0]=4 99 B10R1.113 CC(C)C1CNCC(=O)N1 AB37306 [0,1,0,1,0,0|2,0,0]=4 100 B10R1.113 CC(C)C1COCC(=O)N1 AB72696 [0,1,0,1,0,0|2,0,0]=4 101 B10R1.113 CC(C)N1CCCC(=O)C1 AB39319 [0,1,0,1,0,0|2,0,0]=4 102 B10R1.113 CC(C)[C@@H]1CNCC(=O)N1 AB37312 [0,1,0,1,0,0|2,0,0]=4 103 B10R1.113 CC(C)[C@H]1CNCC(=O)N1 AB37309 [0,1,0,1,0,0|2,0,0]=4 104 B10R2.62 C1[C@@H]2C(=O)N[C@H](C1)CC2 PB30124 [0,0,0,2,0,0|1,0,0]=3 105 B10R2.71 C1CC2CC(=O)CC1O2 PB37880 [0,0,0,2,0,0|2,0,0]=4 106 B10R2.71 C1C[C@H]2CC(=O)C[C@@H]1N2 PB18614 [0,0,0,2,0,0|2,0,0]=4 107 B10R2.534 C1CC12CNCC(=O)N2 PB25711 [0,0,0,2,0,0|2,0,0]=4 108 B10R2.32 C1CC(=O)C2C1CNC2 PB32434 [0,0,0,2,0,0|2,0,0]=4 109 B10R2.32 C1CC2C(=O)CCN2C1 AB27646 [0,0,0,2,0,0|2,0,0]=4 110 B10R2.32 C1CN[C@H]2[C@@H]1CNC2=O PB31139 [0,0,0,2,0,0|2,0,0]=4 111 B10R2.178 C1CC2C(=O)CCC1N2 PB36488 [0,0,0,2,0,0|2,0,0]=4 112 B10R2.15 C1CC12C(=O)NCCN2 AB37186 [0,0,0,2,0,0|2,0,0]=4 113 B10R2.15 C1CC12CCNCC2=O PB36536 [0,0,0,2,0,0|2,0,0]=4 114 B10R2.41 C1CC2CNCC1C2=O PB30498 [0,0,0,2,0,0|2,0,0]=4