0 B7R0.1 CNCCCCC=C CB11323 [1,0,0,0,0,0|2,0,0]=3 1 B7R0.4 CC(C)CCN=C=O AB54602 [1,0,0,0,0,0|1,0,1]=3 2 B7R0.4 CN(C)CCC[Mg]Cl AB55603 [1,0,0,0,0,0|3,0,0]=4 3 B7R0.4 CN(C)CCN=C=O AB74241 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.2 CN1CCCC(C1)CN PB34157 [0,0,0,1,0,0|2,0,1]=4 5 B9R1.2 CN1CCC[C@@H](C1)CN PB16944 [0,0,0,1,0,0|2,0,1]=4 6 B9R1.2 CN1CCC[C@H](C1)CN PB11507 [0,0,0,1,0,0|2,0,1]=4 7 B9R1.6 CC(C)C1CCCCN1 AB12062 [0,0,0,1,0,0|1,0,1]=3 8 B9R1.6 CC(C)C1CNCCN1 AB36138 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.6 CC(C)C1CNCCO1 AB70519 [0,0,0,1,0,0|1,0,2]=4 10 B9R1.6 CC(C)[C@@H]1CNCCN1 AB36142 [0,0,0,1,0,0|2,0,1]=4 11 B9R1.6 CC(C)[C@H]1CNCCN1 AB36140 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.7 CN1CCC(C1)CCN PB18962 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.7 CN1CCC(C1)CCO PB28645 [0,0,0,1,0,0|1,0,2]=4 14 B9R1.13 CC(C)C[C@@H]1CCNC1 AB66512 [0,0,0,1,0,0|2,0,0]=3 15 B9R1.13 CC(C)C[C@H]1CCNC1 AB66515 [0,0,0,1,0,0|2,0,0]=3 16 B9R1.13 CN(C)C[C@@H]1CCCN1 PB28130 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.13 CN(C)C[C@H]1CCCN1 PB19677 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.24 C[C@@]1(CCC[C@H]1CO)N AB42780 [0,0,0,1,0,0|1,0,2]=4 19 B9R1.24 C[C@@]1(CCC[C@H]1CO)N AB49850 [0,0,0,1,0,0|1,0,2]=4 20 B9R1.40 C1CNCC(C1=O)(F)F PB31926 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.40 CC1(C(=O)NCCN1)C AB09796 [0,0,0,1,0,0|2,0,0]=3 22 B9R1.40 CC1(C(=O)NCCO1)C AB71828 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.40 CC1(CNCCC1=O)C PB31517 [0,0,0,1,0,0|1,0,0]=2 24 B9R1.40 CC1(CNCCC1O)C PB16311 [0,0,0,1,0,0|1,0,2]=4 25 B9R1.48 CC1CC(=O)NCCN1 PB15399 [0,0,0,1,0,0|2,0,0]=3 26 B9R1.48 CN1CCCCC(C1)N MB07245 [0,0,0,1,0,0|2,0,1]=4 27 B6R0.6 CCCNCCC AB02251 [2,0,0,0,0,0|1,0,1]=4 28 B6R0.4 CN(C)CCCBr AB52731 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.2 C1CC(COC1)C=O AB16155 [1,0,0,1,0,0|1,0,0]=3 30 B8R1.2 C1CCNC(C1)C=O AB52540 [1,0,0,1,0,0|1,0,0]=3 31 B8R1.2 C1CCOC(C1)C=O MB05934 [1,0,0,1,0,0|1,0,0]=3 32 B8R1.2 C1CNCCC1C=O AB52543 [1,0,0,1,0,0|1,0,0]=3 33 B8R1.2 C1COCCC1C=O AB14645 [1,0,0,1,0,0|1,0,0]=3 34 B8R1.2 C1CSCCC1C=O AB14650 [1,0,0,1,0,0|1,0,0]=3 35 B8R1.5 C1CCC(=O)C(C1)F MB01688 [1,0,0,1,0,0|1,0,0]=3 36 B8R1.5 C1CNCC(C1=O)F PB20587 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.5 C1COCC(C1=O)Br PB18064 [1,0,0,1,0,0|2,0,0]=4 38 B8R1.5 C1COCC(C1=O)F PB28362 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.5 C1C[C@@H](C(=O)NC1)N AB49759 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.5 C1C[C@H](C(=O)NC1)N AB45380 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.5 CC1C(=O)NCCN1 AB04135 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.5 CC1C(=O)NCCO1 AB71412 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.5 CC1CCNCC1=O PB36769 [1,0,0,1,0,0|1,0,0]=3 44 B8R1.5 CC1CNCCC1=O PB23474 [1,0,0,1,0,0|1,0,0]=3 45 B8R1.5 CC1COCCC1=O PB26907 [1,0,0,1,0,0|1,0,0]=3 46 B8R1.5 CN1CCNCC1=O PB24934 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.5 C[C@@H]1C(=O)NCCN1 AB76857 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.5 C[C@H]1C(=O)NCCN1 AB37140 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.8 C1CC(OC1)CC=O AB76318 [1,0,0,1,0,0|1,0,0]=3 50 B8R1.8 C1CCC(C1)CCN AB02350 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.8 C1CCC(C1)CON CB11464 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.8 C1CCC(C1)N=C=O AB10807 [1,0,0,1,0,0|1,0,1]=4 53 B8R1.8 C1COCC1CC=O AB75447 [1,0,0,1,0,0|1,0,0]=3 54 B8R1.8 CCCC1CCCN1 AB12028 [1,0,0,1,0,0|1,0,1]=4 55 B8R1.10 C1CC(C1)CN=C=O AB74239 [1,0,0,1,0,0|1,0,1]=4 56 B8R1.22 C1CC(=O)CCNC1 PB26051 [1,0,0,1,0,0|1,0,0]=3 57 B8R1.22 C1CC(=O)CCOC1 AB76453 [1,0,0,1,0,0|1,0,0]=3 58 B8R1.22 C1CNCC(=O)NC1 AB30280 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.22 C1CNCCNC1=O AB07054 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.1 CN1CCC(C1)CN PB23433 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.1 CN1CC[C@@H](C1)CN PB35492 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.1 CN1CC[C@@H](C1)CO PB34858 [1,0,0,1,0,0|1,0,1]=4 63 B8R1.1 CN1CC[C@H](C1)CN PB36038 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.1 CN1CC[C@H](C1)CO PB31861 [1,0,0,1,0,0|1,0,1]=4 65 B8R1.4 C1CNC(=O)CC1N PB11631 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.4 C1CNC(=O)C[C@@H]1O AB29511 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.4 CC1CC(=O)CCN1 PB18889 [1,0,0,1,0,0|1,0,0]=3 68 B8R1.4 CC1CC(=O)CCO1 PB18115 [1,0,0,1,0,0|1,0,0]=3 69 B8R1.4 CC1CC(CCN1)O PB10241 [1,0,0,1,0,0|1,0,1]=4 70 B8R1.4 CC1CC(CCO1)O PB22789 [1,0,0,1,0,0|1,0,1]=4 71 B8R1.4 CC1CNCC(=O)N1 AB37299 [1,0,0,1,0,0|2,0,0]=4 72 B8R1.4 CN1CCCC(=O)C1 AB39316 [1,0,0,1,0,0|1,0,0]=3 73 B8R1.4 CN1CCCC(C1)N PB12415 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.4 CN1CCCC(C1)O PB17042 [1,0,0,1,0,0|1,0,1]=4 75 B8R1.4 CN1CCC[C@@H](C1)N PB25450 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.4 CN1CCC[C@@H](C1)N PB28836 [1,0,0,1,0,0|2,0,0]=4 77 B8R1.4 CN1CCC[C@@H](C1)O PB31843 [1,0,0,1,0,0|1,0,1]=4 78 B8R1.4 CN1CCC[C@H](C1)N PB33333 [1,0,0,1,0,0|2,0,0]=4 79 B8R1.4 CN1CCC[C@H](C1)O PB31692 [1,0,0,1,0,0|1,0,1]=4 80 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [1,0,0,1,0,0|1,0,0]=3 81 B8R1.4 C[C@@H]1CCC[C@@H](N1)C AB02692 [1,0,0,1,0,0|1,0,1]=4 82 B8R1.4 C[C@@H]1CCC[C@H](N1)C AB76289 [1,0,0,1,0,0|1,0,1]=4 83 B8R1.4 C[C@@H]1CNCC(=O)N1 AB37303 [1,0,0,1,0,0|2,0,0]=4 84 B8R1.4 C[C@@H]1C[C@@H](CCN1)O PB38196 [1,0,0,1,0,0|1,0,1]=4 85 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [1,0,0,1,0,0|1,0,0]=3 86 B8R1.4 C[C@H]1CNCC(=O)N1 AB37302 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.4 C[C@H]1C[C@H](CCN1)O PB35360 [1,0,0,1,0,0|1,0,1]=4 88 B8R1.6 CN1CC(C1)CCO PB13968 [1,0,0,1,0,0|1,0,1]=4 89 B8R1.7 CC(C)[C@@H]1CCCN1 AB58448 [1,0,0,1,0,0|1,0,0]=3 90 B8R1.7 CC(C)[C@@H]1CCNC1 AB66437 [1,0,0,1,0,0|1,0,1]=4 91 B8R1.7 CC(C)[C@H]1CCNC1 AB66440 [1,0,0,1,0,0|1,0,1]=4 92 B8R1.72 CC1(CCCCN1)C AB58454 [1,0,0,1,0,0|1,0,0]=3 93 B8R1.72 CC1(CCNCC1)C AB17027 [1,0,0,1,0,0|1,0,1]=4 94 B8R1.72 CC1(CCNCC1)C PB14098 [1,0,0,1,0,0|1,0,1]=4 95 B8R1.72 CC1(CNCCN1)C AB29948 [1,0,0,1,0,0|2,0,0]=4 96 B8R1.72 CC1(CNCCO1)C AB51044 [1,0,0,1,0,0|1,0,1]=4 97 B8R1.72 CC1(COCCN1)C AB50978 [1,0,0,1,0,0|2,0,0]=4 98 B10R1.54 C1CN(CC1N)CC(=O)O AB29043 [0,1,0,1,0,0|2,0,0]=4 99 B10R1.54 C1CN(C[C@@H]1N)CC(=O)O AB29040 [0,1,0,1,0,0|2,0,0]=4 100 B10R1.54 C1CN(C[C@@H]1O)CC(=O)O AB39264 [0,1,0,1,0,0|2,0,0]=4 101 B10R1.54 C1CN(C[C@H]1N)CC(=O)O AB29038 [0,1,0,1,0,0|2,0,0]=4 102 B10R1.171 CC1(CC(CCO1)C=O)C AB09953 [0,1,0,1,0,0|1,0,0]=3 103 B10R1.18 CC(C)CC1CNCCN1 AB36144 [0,1,0,1,0,0|1,0,1]=4 104 B10R1.18 CC(C)C[C@@H]1CNCCN1 AB36149 [0,1,0,1,0,0|1,0,1]=4 105 B10R1.18 CC(C)C[C@@H]1COCCN1 AB64206 [0,1,0,1,0,0|1,0,1]=4 106 B10R1.18 CC(C)C[C@H]1CNCCN1 AB36145 [0,1,0,1,0,0|1,0,1]=4 107 B10R1.18 CC(C)C[C@H]1COCCN1 AB64207 [0,1,0,1,0,0|1,0,1]=4 108 B10R1.61 CC(=O)N1CCCCC1=O AB52501 [0,1,0,1,0,0|1,0,1]=4 109 B10R1.61 CC(C)C1C(=O)NCCN1 AB05504 [0,1,0,1,0,0|1,0,0]=3 110 B10R1.61 CC(C)N1CCNCC1=O AB37013 [0,1,0,1,0,0|1,0,0]=3 111 B10R1.61 CC(C)[C@@H]1C(=O)NCCN1 AB37161 [0,1,0,1,0,0|1,0,0]=3 112 B10R1.61 CC(C)[C@H]1C(=O)NCCN1 AB37158 [0,1,0,1,0,0|1,0,0]=3 113 B10R1.40 C[C@@]1(CCC[C@H]1CO)NC AB42782 [0,1,0,1,0,0|0,0,2]=4 114 B10R1.40 C[C@@]1(CCC[C@H]1CO)NC AB49853 [0,1,0,1,0,0|0,0,2]=4 115 B10R1.113 C1CN[C@@H](C[C@@H]1O)C(=O)O AB55088 [0,1,0,1,0,0|2,0,0]=4 116 B10R1.113 CC(C)C1CNCC(=O)N1 AB37306 [0,1,0,1,0,0|1,0,0]=3 117 B10R1.113 CC(C)C1COCC(=O)N1 AB72696 [0,1,0,1,0,0|1,0,0]=3 118 B10R1.113 CC(C)N1CCCC(=O)C1 AB39319 [0,1,0,1,0,0|1,0,0]=3 119 B10R1.113 CC(C)[C@@H]1CNCC(=O)N1 AB37312 [0,1,0,1,0,0|1,0,0]=3 120 B10R1.113 CC(C)[C@H]1CNCC(=O)N1 AB37309 [0,1,0,1,0,0|1,0,0]=3 121 B10R1.113 CN1CCCC(C1)C(=O)O PB20225 [0,1,0,1,0,0|1,0,0]=3 122 B10R1.113 CN1CCNC(C1)C(=O)O AB25814 [0,1,0,1,0,0|2,0,0]=4 123 B10R1.113 CN1CCOC(C1)C(=O)O AB28265 [0,1,0,1,0,0|2,0,0]=4 124 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O AB16257 [0,1,0,1,0,0|1,0,0]=3 125 B10R1.113 C[C@H]1CCN[C@H](C1)C(=O)O AB51287 [0,1,0,1,0,0|1,0,0]=3 126 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N AB22660 [0,1,0,1,0,0|1,0,0]=3 127 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N AB49830 [0,1,0,1,0,0|1,0,0]=3 128 B10R2.71 C1CC2CC(=O)CC1O2 PB37880 [0,0,0,2,0,0|1,0,0]=3 129 B10R2.71 C1C[C@H]2CC(=O)C[C@@H]1N2 PB18614 [0,0,0,2,0,0|1,0,0]=3 130 B10R2.15 C1CC12C(=O)NCCN2 AB37186 [0,0,0,2,0,0|2,0,0]=4 131 B10R2.15 C1CC12CCNCC2=O PB36536 [0,0,0,2,0,0|1,0,0]=3 132 B10R2.259 C1CC(=O)C2C1C2(F)F AB85461 [0,0,0,2,0,0|2,0,0]=4