0 B8R1.50 C1CC(=O)N(C1=O)O AB00437 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.50 C1CN(C(=O)C1N)O AB02803 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.50 CC1C(=C(N=N1)N)C AB44284 [0,0,0,0,0,0|4,0,0]=4 3 B7R1.2 C1C(=CC(=O)N1)Br CB11702 [1,0,0,0,0,0|2,0,1]=4 4 B7R1.2 C1C(CNC1=O)N PB17844 [1,0,0,0,0,0|2,0,1]=4 5 B7R1.2 C1[C@@H](CNC1=O)O PB23182 [1,0,0,0,0,0|2,0,1]=4 6 B7R1.2 C1[C@H](CNC1=O)O AB05836 [1,0,0,0,0,0|2,0,1]=4 7 B7R1.2 C1[C@H](CNC1=O)S PB29198 [1,0,0,0,0,0|2,0,1]=4 8 B7R1.2 CN1CCC(=O)C1 PB26542 [1,0,0,0,0,0|1,0,1]=3 9 B7R1.4 C1CNC(=O)[C@@H]1N AB64075 [1,0,0,0,0,0|2,0,0]=3 10 B7R1.4 C1CNC(=O)[C@H]1N AB64072 [1,0,0,0,0,0|2,0,0]=3 11 B7R1.4 C1CNC(=O)[C@H]1O AB29512 [1,0,0,0,0,0|2,0,0]=3 12 B7R1.4 C1COC(=O)[C@@H]1O MB00930 [1,0,0,0,0,0|2,0,0]=3 13 B7R1.4 CC1=C(C=NC1)C PB27606 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.27 CCC1=C(CNC1=O)C AB04375 [0,1,0,0,0,0|2,0,1]=4 15 B9R1.132 CC1=C(C(=NC1)C=O)C PB21628 [0,1,0,0,0,0|2,0,1]=4 16 B9R1.132 CN1C(CCC1=O)C#N MB69103 [0,1,0,0,0,0|2,0,1]=4 17 B9R1.132 CN1C(CCC1=O)C=C MB69106 [0,1,0,0,0,0|2,0,1]=4 18 B9R1.132 CN1C(CCC1=O)CO MB69102 [0,1,0,0,0,0|2,0,0]=3 19 B7R0.3 COC(=O)CCCO AB65249 [0,0,1,0,0,0|3,0,0]=4 20 B7R0.10 CCC(C(=O)OC)N AB16757 [0,0,1,0,0,0|2,0,1]=4 21 B7R0.16 CC(C)[C@@H](C(=O)O)N AB02570 [0,0,1,0,0,0|2,0,1]=4 22 B7R0.16 CC(C)[C@H](C(=O)O)N AB02568 [0,0,1,0,0,0|2,0,1]=4 23 B9R1.3 CN1CCCC(C1=O)N PB20691 [0,0,0,0,0,1|2,0,1]=4 24 B9R1.69 C1=NC(=O)NC(=O)C1Br AB00570 [0,0,0,0,0,1|2,0,1]=4 25 B9R1.69 C1CC(=O)NC(=O)C1N PB14928 [0,0,0,0,0,1|1,0,0]=2 26 B9R1.69 CC1CN(CCC1=O)C AB03409 [0,0,0,0,0,1|2,0,1]=4 27 B9R1.69 CC1CNC(C(=O)N1)C AB71858 [0,0,0,0,0,1|2,0,1]=4 28 B9R1.69 CN1CC(CCC1=O)N PB13136 [0,0,0,0,0,1|3,0,0]=4 29 B9R1.69 C[C@@H]1CNC(=O)[C@@H](N1)C AB72319 [0,0,0,0,0,1|2,0,1]=4 30 B9R1.69 C[C@@H]1CNC(=O)[C@H](N1)C AB72313 [0,0,0,0,0,1|2,0,1]=4 31 B9R1.69 C[C@@H]1CN[C@@H](C(=O)N1)C AB72308 [0,0,0,0,0,1|2,0,1]=4 32 B9R1.69 C[C@@H]1CN[C@H](C(=O)N1)C AB72305 [0,0,0,0,0,1|2,0,1]=4 33 B9R1.69 C[C@H]1CNC(=O)[C@@H](N1)C AB72316 [0,0,0,0,0,1|2,0,1]=4 34 B9R1.69 C[C@H]1CNC(=O)[C@H](N1)C AB72314 [0,0,0,0,0,1|2,0,1]=4 35 B9R1.69 C[C@H]1CN[C@@H](C(=O)N1)C AB72311 [0,0,0,0,0,1|2,0,1]=4 36 B9R1.69 C[C@H]1CN[C@H](C(=O)N1)C AB72303 [0,0,0,0,0,1|2,0,1]=4 37 B6R0.1 CCNC(=O)C=C CB10170 [1,0,1,0,0,0|2,0,0]=4 38 B6R0.4 C=C(CCCCl)I MB13670 [1,0,1,0,0,0|2,0,0]=4 39 B6R0.3 CC(C)C(=O)NN PB30560 [1,0,1,0,0,0|2,0,0]=4 40 B6R0.3 CC(CN)C(=O)O AB00933 [1,0,1,0,0,0|1,0,1]=4 41 B6R0.3 CCC(C(=O)O)N AB00928 [1,0,1,0,0,0|1,0,1]=4 42 B6R0.3 CCN(C)C(=O)Cl MB05193 [1,0,1,0,0,0|2,0,0]=4 43 B6R0.3 C[C@@H](C(=O)OC)N AB02553 [1,0,1,0,0,0|2,0,0]=4 44 B6R0.3 C[C@@H](CN)C(=O)O AB35706 [1,0,1,0,0,0|1,0,1]=4 45 B6R0.3 C[C@H](CN)C(=O)O AB08204 [1,0,1,0,0,0|1,0,1]=4 46 B6R1.2 C1C=C(CO1)I AB84905 [2,0,0,0,0,0|2,0,0]=4 47 B6R1.2 C1CNCC1=O PB21807 [2,0,0,0,0,0|1,0,1]=4 48 B6R1.2 C1COCC1=O PB17440 [2,0,0,0,0,0|1,0,1]=4 49 B6R1.2 C1CONC1=O MB10654 [2,0,0,0,0,0|2,0,0]=4 50 B6R1.2 CC1=CCCO1 AB00300 [2,0,0,0,0,0|2,0,0]=4 51 B6R1.2 CC1CCCN1 AB44503 [2,0,0,0,0,0|1,0,1]=4 52 B6R1.2 CC1CCNC1 AB41901 [2,0,0,0,0,0|1,0,1]=4 53 B6R1.2 C[C@@H]1CCCN1 AB29488 [2,0,0,0,0,0|1,0,1]=4 54 B6R1.2 C[C@@H]1CCCN1 AB42774 [2,0,0,0,0,0|1,0,1]=4 55 B6R1.2 C[C@@H]1CCNC1 AB29518 [2,0,0,0,0,0|1,0,1]=4 56 B6R1.2 C[C@H]1CCCN1 AB29489 [2,0,0,0,0,0|1,0,1]=4 57 B6R1.2 C[C@H]1CCNC1 AB29522 [2,0,0,0,0,0|1,0,1]=4 58 B8R0.2 CCC(C)C(C(=O)O)Br CB10117 [0,1,1,0,0,0|1,0,1]=4 59 B8R1.1 C1C(CNC1=O)CN PB10686 [1,1,0,0,0,0|1,0,1]=4 60 B8R1.1 C1C(CNC1=O)CO PB26709 [1,1,0,0,0,0|1,0,1]=4 61 B8R1.1 C1CC(=O)NC1CN AB28123 [1,1,0,0,0,0|1,0,0]=3 62 B8R1.1 C1CC(=O)N[C@@H]1CCl MB07054 [1,1,0,0,0,0|1,0,0]=3 63 B8R1.1 C1CC(=O)N[C@@H]1CN AB28507 [1,1,0,0,0,0|1,0,0]=3 64 B8R1.1 C1CC(=O)N[C@H]1CCl MB06934 [1,1,0,0,0,0|1,0,0]=3 65 B8R1.1 C1CC(=O)N[C@H]1CN AB28509 [1,1,0,0,0,0|1,0,0]=3 66 B8R1.1 C1CC(=O)N[C@H]1CO AB02985 [1,1,0,0,0,0|1,0,0]=3 67 B8R1.1 C1[C@@H](CNC1=O)CN PB39244 [1,1,0,0,0,0|1,0,1]=4 68 B8R1.1 C1[C@@H](COC1=O)CF MB10069 [1,1,0,0,0,0|1,0,1]=4 69 B8R1.1 C1[C@H](CNC1=O)CN PB37026 [1,1,0,0,0,0|1,0,1]=4 70 B8R1.1 C1[C@H](COC1=O)CF MB19704 [1,1,0,0,0,0|1,0,1]=4 71 B8R1.1 COC1=CC(=O)NC1 AB02829 [1,1,0,0,0,0|1,0,1]=4 72 B8R1.51 C1CC(CC1=O)(F)F AB71425 [1,1,0,0,0,0|1,0,1]=4 73 B8R1.51 CC1(COC(=O)N1)C PB29297 [1,1,0,0,0,0|2,0,0]=4 74 B8R1.11 C1CC(=O)C(=C1)CO MB05797 [1,1,0,0,0,0|0,0,2]=4 75 B10R1.25 C1=NC(=O)NC(=O)C1CCl MB00942 [0,1,0,0,0,1|1,0,1]=4 76 B10R1.25 CCC1CNC(=O)CC1=O PB13231 [0,1,0,0,0,1|1,0,0]=3 77 B10R1.176 CN1CCC(CC1=O)CN PB16684 [0,1,0,0,0,1|2,0,0]=4 78 B10R1.176 CN1CCC(CC1=O)CO PB24273 [0,1,0,0,0,1|2,0,0]=4 79 B8R1.2 C1CC(COC1)C=O AB16155 [0,0,1,1,0,0|0,0,2]=4 80 B8R1.2 C1CC(OC=C1)C=O PB24581 [0,0,1,1,0,0|2,0,0]=4 81 B8R1.2 C1CCNC(C1)C=O AB52540 [0,0,1,1,0,0|1,0,1]=4 82 B8R1.2 C1CCOC(C1)C=O MB05934 [0,0,1,1,0,0|0,0,2]=4 83 B8R1.2 C1CNCCC1C=O AB52543 [0,0,1,1,0,0|2,0,0]=4 84 B8R1.2 C1COCCC1C=O AB14645 [0,0,1,1,0,0|2,0,0]=4 85 B8R1.2 C1CSCCC1C=O AB14650 [0,0,1,1,0,0|2,0,0]=4 86 B8R1.5 C1CCC(=O)C(C1)F MB01688 [0,0,1,1,0,0|1,0,1]=4 87 B8R1.5 CC1CCNCC1=O PB36769 [0,0,1,1,0,0|2,0,0]=4 88 B8R1.38 C1CC(C1)C(=O)NN PB29240 [0,0,1,1,0,0|2,0,0]=4 89 B8R1.40 COC(=O)CC1CC1 PB20704 [0,0,1,1,0,0|2,0,0]=4 90 B8R1.54 C1CC1C(=O)C(=O)O AB65215 [0,0,1,1,0,0|1,0,0]=3 91 B10R2.41 C1C2COC(C2=O)CN1 PB37278 [0,0,0,1,0,1|0,0,2]=4 92 B10R2.41 C1CC2CNCC1C2=O PB30498 [0,0,0,1,0,1|1,0,1]=4 93 B10R2.62 C1[C@@H]2C(=O)N[C@H](C1)CC2 PB30124 [0,0,0,1,0,1|1,0,1]=4 94 B10R2.178 C1CC2C(=O)CCC1N2 PB36488 [0,0,0,1,0,1|1,0,1]=4 95 B10R2.32 C1CC(=O)C2=CN=CC21 AB22250 [0,1,0,1,0,0|1,0,1]=4 96 B10R2.32 C1CC(=O)C2C1CNC2 PB32434 [0,1,0,1,0,0|1,0,1]=4 97 B6R1.5 C1C(CC1=O)Br PB30412 [1,0,0,0,1,0|1,0,1]=4 98 B6R1.5 C1C(CC1=O)F PB36975 [1,0,0,0,1,0|1,0,1]=4 99 B6R1.5 C1C(CC1=O)N PB20766 [1,0,0,0,1,0|1,0,1]=4 100 B8R1.4 C1CC(=CC(=O)C1)I MB07038 [1,0,0,0,0,1|1,0,1]=4 101 B8R1.4 C1CNC(=O)CC1N PB11631 [1,0,0,0,0,1|1,0,1]=4 102 B8R1.4 C1CNC(=O)C[C@@H]1O AB29511 [1,0,0,0,0,1|1,0,1]=4 103 B8R1.4 CC1CC(=O)CCN1 PB18889 [1,0,0,0,0,1|0,0,1]=3 104 B8R1.4 CC1CC(=O)CCO1 PB18115 [1,0,0,0,0,1|0,0,1]=3 105 B8R1.4 CC1CNCC(=O)N1 AB37299 [1,0,0,0,0,1|1,0,0]=3 106 B8R1.4 CN1CCCC(=O)C1 AB39316 [1,0,0,0,0,1|1,0,1]=4 107 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [1,0,0,0,0,1|0,0,1]=3 108 B8R1.4 C[C@@H]1CNCC(=O)N1 AB37303 [1,0,0,0,0,1|1,0,0]=3 109 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [1,0,0,0,0,1|0,0,1]=3 110 B8R1.4 C[C@H]1CNCC(=O)N1 AB37302 [1,0,0,0,0,1|1,0,0]=3