0 B9R1.35 C1=C(N=NC1C(=O)O)N AB09167 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 C1=NC(=NC1C(=O)O)Br AB57009 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.35 C1=NC(=NC1C(=O)O)Cl AB57013 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.35 C1=NC(=O)N=C1C(=O)O AB09197 [0,0,0,0,0,0|1,0,3]=4 4 B9R1.35 C1C=C(N=C1Br)C(=O)O MB19809 [0,0,0,0,0,0|1,0,3]=4 5 B9R1.35 C1CC(=O)C=C1C(=O)O CB11482 [0,0,0,0,0,0|1,0,1]=2 6 B9R1.35 C1CC(=O)CC1C(=O)O PB17215 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.35 C1CC(=O)C[C@@H]1C(=O)O PB28806 [0,0,0,0,0,0|1,0,0]=1 8 B9R1.35 C1CC(=O)C[C@H]1C(=O)O PB15404 [0,0,0,0,0,0|1,0,0]=1 9 B9R1.35 C1CC(CC1C(=O)O)N PB32983 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.35 C1C[C@@H](C[C@@H]1C(=O)O)N MB00932 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.35 C1C[C@H](C[C@@H]1C(=O)O)N PB39081 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.35 C1C[C@H](C[C@H]1C(=O)O)N PB37995 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)F AB12545 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O MB00510 [0,0,0,0,0,0|2,0,2]=4 15 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)S PB10959 [0,0,0,0,0,0|2,1,1]=4 16 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O AB44957 [0,0,0,0,0,0|2,0,2]=4 17 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)F AB12544 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O AB02585 [0,0,0,0,0,0|2,0,2]=4 19 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O AB00391 [0,0,0,0,0,0|2,0,2]=4 20 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O PB26480 [0,0,0,0,0,0|2,0,2]=4 21 B9R1.35 C1[C@H](NCC1=O)C(=O)O AB31269 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.35 C1[C@H](NCC1=O)C(=O)O CB11605 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.35 CC(=O)C1CCN(C1)C AB77113 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.35 CC1=NC(=NC1)C(=O)O AB53262 [0,0,0,0,0,0|2,0,2]=4 25 B9R1.35 CN1CCC(C1)C(=O)O AB28180 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.35 CN1CCC(C1)C(=O)O PB14668 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.35 CN1CC[C@@H](C1)C(=O)O PB23010 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.35 CN1CC[C@H](C1)C(=O)O PB34995 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O AB76265 [0,0,0,0,0,0|1,0,1]=2 30 B9R1.35 C[C@@H]1C[C@@H](NC1)C(=O)O AB31640 [0,0,0,0,0,0|3,0,1]=4 31 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O AB76261 [0,0,0,0,0,0|1,0,1]=2 32 B9R1.35 C[C@H]1C[C@H](NC1)C(=O)O AB42905 [0,0,0,0,0,0|3,0,1]=4 33 B9R1.35 Cc1[nH]c(cn1)C(=O)O AB05025 [0,0,0,0,0,0|2,0,2]=4 34 B9R1.35 Cc1[nH]c(nn1)C(=O)O AB12749 [0,0,0,0,0,0|3,0,1]=4 35 B9R1.35 Cc1[nH]c(nn1)C(=O)O AB57423 [0,0,0,0,0,0|3,0,1]=4 36 B9R1.35 c1([nH]c(nn1)Br)C(=O)O MB19800 [0,0,0,0,0,0|3,0,1]=4 37 B9R1.35 c1([nH]c(nn1)Cl)C(=O)O MB09048 [0,0,0,0,0,0|3,0,1]=4 38 B9R1.35 c1([nH]c(nn1)O)C(=O)O AB30461 [0,0,0,0,0,0|2,0,2]=4 39 B8R1.1 C1C(CNC1=O)CO PB26709 [1,0,0,0,0,0|2,0,1]=4 40 B8R1.1 C1CC(=O)NC1CN AB28123 [1,0,0,0,0,0|1,0,1]=3 41 B8R1.1 C1CC(=O)N[C@@H]1CCl MB07054 [1,0,0,0,0,0|1,0,1]=3 42 B8R1.1 C1CC(=O)N[C@@H]1CN AB28507 [1,0,0,0,0,0|1,0,1]=3 43 B8R1.1 C1CC(=O)N[C@H]1CCl MB06934 [1,0,0,0,0,0|1,0,1]=3 44 B8R1.1 C1CC(=O)N[C@H]1CN AB28509 [1,0,0,0,0,0|1,0,1]=3 45 B8R1.1 C1CC(=O)N[C@H]1CO AB02985 [1,0,0,0,0,0|0,0,1]=2 46 B8R1.7 C1=NC=NC1C(=O)O AB03082 [1,0,0,0,0,0|1,0,2]=4 47 B8R1.7 C1C=CCC1C(=O)O PB14124 [1,0,0,0,0,0|1,0,1]=3 48 B8R1.7 C1CCC(C1)C(=O)O AB00138 [1,0,0,0,0,0|1,0,1]=3 49 B8R1.7 C1CNCC1C(=O)N PB11736 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.7 C1CNCC1C(=O)N PB32691 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.7 C1CNCC1C(=O)O PB19915 [1,0,0,0,0,0|2,0,0]=3 52 B8R1.7 C1CNC[C@@H]1C(=O)N PB14988 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.7 C1CNC[C@@H]1C(=O)O PB16017 [1,0,0,0,0,0|2,0,0]=3 54 B8R1.7 C1CNC[C@H]1C(=O)N PB16436 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.7 C1CNC[C@H]1C(=O)N PB28896 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.7 C1CNC[C@H]1C(=O)O PB10622 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.7 C1COC=C1C(=O)O PB26262 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.7 C1COCC1C(=O)N PB20686 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.7 C1COC[C@@H]1C(=O)O PB15879 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.7 C1COC[C@H]1C(=O)O PB26265 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.7 C1C[C@@H](NC1)C(=O)N AB04106 [1,0,0,0,0,0|1,0,1]=3 62 B8R1.7 C1C[C@@H](NC1)C(=O)O AB02582 [1,0,0,0,0,0|0,0,1]=2 63 B8R1.7 C1C[C@H](NC1)C(=O)N AB00394 [1,0,0,0,0,0|1,0,1]=3 64 B8R1.7 C1[C@@H](NCS1)C(=O)O AB03779 [1,0,0,0,0,0|1,0,1]=3 65 B8R1.7 c1[nH]c(nn1)C(=O)O AB04453 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.14 CN1CCC(C1)C(=O)OC AB65288 [0,1,0,0,0,0|3,0,0]=4 67 B10R1.14 COC(=O)C1CC(=O)NC1 PB23582 [0,1,0,0,0,0|2,0,0]=3 68 B10R1.14 COC(=O)C1CCC(=O)C1 PB20391 [0,1,0,0,0,0|1,0,0]=2 69 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 PB27535 [0,1,0,0,0,0|1,0,0]=2 70 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)N PB15463 [0,1,0,0,0,0|2,0,1]=4 71 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)N PB37186 [0,1,0,0,0,0|2,0,1]=4 72 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 PB31918 [0,1,0,0,0,0|1,0,0]=2 73 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 AB08715 [0,1,0,0,0,0|0,0,0]=1 74 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)N PB38858 [0,1,0,0,0,0|2,0,1]=4 75 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)N PB36059 [0,1,0,0,0,0|2,0,1]=4 76 B10R1.194 CN1C(CCC1=O)C(=O)O MB14791 [0,1,0,0,0,0|0,0,0]=1 77 B10R1.359 C1CC(CC1C(=O)O)(F)F PB33240 [0,1,0,0,0,0|2,0,1]=4 78 B10R1.359 C1CC(C[C@@H]1C(=O)O)(F)F PB37611 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.359 C1CC(C[C@H]1C(=O)O)(F)F PB33719 [0,1,0,0,0,0|2,0,1]=4 80 B10R1.359 C1CS(=O)(=O)NC1C(=O)O PB30895 [0,1,0,0,0,0|1,0,0]=2 81 B8R0.9 CC(=O)NNC(=O)CCl AB16929 [0,0,1,0,0,0|3,0,0]=4 82 B8R0.23 CC(CC(=O)C)C(=O)O PB27433 [0,0,1,0,0,0|1,0,0]=2 83 B10R2.178 C1CC2C(=O)CCC1N2 PB36488 [0,0,0,1,0,0|2,0,1]=4 84 B10R2.357 C1C2C1CC(C2)C(=O)O PB25532 [0,0,0,1,0,0|2,0,1]=4 85 B10R2.357 C1[C@@H]2[C@H]1N[C@@H](C2)C(=O)O PB10586 [0,0,0,1,0,0|1,0,1]=3 86 B8R1.23 C1C(CC1=O)C(=O)O PB20916 [0,0,0,0,1,0|1,0,0]=2 87 B8R1.23 C1C(CC1Cl)C(=O)O PB13057 [0,0,0,0,1,0|2,0,1]=4 88 B8R1.23 C1C(CC1F)C(=O)O PB20399 [0,0,0,0,1,0|2,0,1]=4 89 B8R1.23 C1C(CC1O)C(=O)O PB26416 [0,0,0,0,1,0|1,0,2]=4 90 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)N PB12385 [0,0,0,0,1,0|2,0,1]=4 91 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)N PB25257 [0,0,0,0,1,0|2,0,1]=4 92 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)O PB34748 [0,0,0,0,1,0|1,0,2]=4 93 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N PB21941 [0,0,0,0,1,0|2,0,1]=4 94 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N PB31884 [0,0,0,0,1,0|2,0,1]=4 95 B8R1.23 C1[C@@H](NC1=O)C(=O)O PB27000 [0,0,0,0,1,0|0,0,0]=1 96 B8R1.23 C1[C@H](NC1=O)C(=O)O PB21715 [0,0,0,0,1,0|0,0,0]=1 97 B8R1.23 C=C1CC(C1)C(=O)O PB25975 [0,0,0,0,1,0|2,0,0]=3 98 B8R1.23 CC1CC(C1)C(=O)O PB21154 [0,0,0,0,1,0|2,0,1]=4 99 B8R1.23 CN1CC(C1)C(=O)O PB25405 [0,0,0,0,1,0|3,0,0]=4 100 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O PB24101 [0,0,0,0,1,0|2,0,1]=4 101 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O PB24098 [0,0,0,0,1,0|2,0,1]=4 102 B8R1.31 C1CN(C1C(=O)O)N MB69364 [0,0,0,0,1,0|2,0,0]=3 103 B10R1.13 C1C(NCC(=O)N1)C(=O)O AB61601 [0,0,0,0,0,1|1,0,0]=2 104 B10R1.13 C1CC(=O)CCC1C(=O)O PB10093 [0,0,0,0,0,1|1,0,0]=2 105 B10R1.13 C1CC(=O)NCC1C(=O)O PB30997 [0,0,0,0,0,1|0,0,0]=1 106 B10R1.13 C1CC(CCC1C(=O)O)F AB68681 [0,0,0,0,0,1|2,0,1]=4 107 B10R1.13 C1C[C@H](NC[C@H]1O)C(=O)O PB18272 [0,0,0,0,0,1|0,0,2]=3 108 B10R1.13 C1[C@@H](CC[C@@H](C1)N)C(=O)O PB10129 [0,0,0,0,0,1|2,0,1]=4 109 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O PB21681 [0,0,0,0,0,1|2,0,1]=4 110 B10R1.13 C1[C@@H](NCC(=O)N1)C(=O)O AB61607 [0,0,0,0,0,1|1,0,0]=2 111 B10R1.13 C1[C@H](NCC(=O)N1)C(=O)O AB61603 [0,0,0,0,0,1|1,0,0]=2 112 B10R1.13 CN1CCC(CC1)C(=O)O AB04504 [0,0,0,0,0,1|3,0,0]=4 113 B10R1.13 CN1CCC(CC1)C(=O)O PB21919 [0,0,0,0,0,1|3,0,0]=4 114 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O AB02851 [0,0,0,0,0,1|2,0,1]=4 115 B10R1.54 C1CN(CC1=O)CC(=O)O AB29047 [0,0,0,0,0,1|2,0,0]=3 116 B10R1.113 C1C(=O)N=C(C=N1)C(=O)O AB60468 [0,0,0,0,0,1|0,0,3]=4 117 B10R1.113 C1C(NC(=O)CN1)C(=O)O AB61614 [0,0,0,0,0,1|0,0,0]=1 118 B10R1.113 C1CNC(=O)CC1C(=O)O PB11932 [0,0,0,0,0,1|1,0,0]=2 119 B10R1.113 C1CN[C@@H](C[C@@H]1O)C(=O)O AB55088 [0,0,0,0,0,1|1,0,2]=4 120 B10R1.113 C1C[C@@H](NC(=O)C1)C(=O)O AB49077 [0,0,0,0,0,1|0,0,0]=1 121 B10R1.113 C1C[C@H](NC(=O)C1)C(=O)O AB16268 [0,0,0,0,0,1|0,0,0]=1 122 B10R1.113 C1[C@@H](NC(=O)CN1)C(=O)O AB61619 [0,0,0,0,0,1|0,0,0]=1 123 B10R1.113 C1[C@H](NC(=O)CN1)C(=O)O AB61618 [0,0,0,0,0,1|0,0,0]=1 124 B10R1.113 CC(C)C1CNCC(=O)N1 AB37306 [0,0,0,0,0,1|2,0,1]=4 125 B10R1.113 CC(C)C1COCC(=O)N1 AB72696 [0,0,0,0,0,1|2,0,1]=4 126 B10R1.113 CC(C)[C@@H]1CNCC(=O)N1 AB37312 [0,0,0,0,0,1|2,0,1]=4 127 B10R1.113 CC(C)[C@H]1CNCC(=O)N1 AB37309 [0,0,0,0,0,1|2,0,1]=4 128 B10R1.113 CN1CCCC(C1)C(=O)O PB20225 [0,0,0,0,0,1|3,0,0]=4 129 B10R1.113 CN1CCNC(C1)C(=O)O AB25814 [0,0,0,0,0,1|3,0,0]=4 130 B10R1.113 CN1CCOC(C1)C(=O)O AB28265 [0,0,0,0,0,1|3,0,0]=4 131 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O AB16257 [0,0,0,0,0,1|2,0,1]=4 132 B10R1.113 C[C@H]1CCN[C@H](C1)C(=O)O AB51287 [0,0,0,0,0,1|2,0,1]=4 133 B7R0.5 CCC[C@@H](C(=O)O)N AB02603 [1,0,1,0,0,0|0,0,1]=3 134 B7R0.5 CCC[C@H](C(=O)O)N AB00929 [1,0,1,0,0,0|0,0,1]=3 135 B7R0.5 CNC[C@@H](C(=O)O)N CB10181 [1,0,1,0,0,0|1,0,1]=4 136 B7R0.5 CNC[C@@H](C(=O)O)N CB11070 [1,0,1,0,0,0|1,0,1]=4 137 B7R0.6 CC(=O)CNC(=O)C AB02398 [1,0,1,0,0,0|1,0,0]=3 138 B7R0.6 CC(=O)NCC(=O)O AB00351 [1,0,1,0,0,0|0,0,0]=2 139 B7R0.15 CCC(CN)C(=O)O AB62466 [1,0,1,0,0,0|1,0,1]=4 140 B7R1.1 C1C=CCC1C=O AB76805 [2,0,0,0,0,0|1,0,1]=4 141 B7R1.1 C1CCC(C1)C=O AB02400 [2,0,0,0,0,0|1,0,1]=4 142 B7R1.1 C1C[C@@H](NC1)CO PB21663 [2,0,0,0,0,0|0,0,2]=4 143 B7R1.1 C1C[C@H](NC1)CO PB30520 [2,0,0,0,0,0|0,0,2]=4 144 B7R1.2 C1[C@@H](CNC1=O)O PB23182 [2,0,0,0,0,0|2,0,0]=4 145 B7R1.2 C1[C@H](CNC1=O)O AB05836 [2,0,0,0,0,0|2,0,0]=4 146 B9R0.7 CC(C)CC[C@@H](C(=O)O)N AB15913 [0,1,1,0,0,0|1,0,1]=4 147 B9R0.7 CC(C)CC[C@H](C(=O)O)N AB29542 [0,1,1,0,0,0|1,0,1]=4 148 B9R0.51 C[C@@](CCSC)(C(=O)O)N AB76492 [0,1,1,0,0,0|2,0,0]=4 149 B9R0.51 C[C@](CCSC)(C(=O)O)N AB76378 [0,1,1,0,0,0|2,0,0]=4 150 B9R0.39 CCC(C(=O)O)NC(=O)C AB01272 [0,1,1,0,0,0|0,0,0]=2 151 B9R0.11 C[C@@](CC(=O)O)(C(=O)O)N AB04906 [0,1,1,0,0,0|2,0,0]=4 152 B9R0.11 C[C@](CC(=O)O)(C(=O)O)N AB03942 [0,1,1,0,0,0|2,0,0]=4 153 B9R0.56 C(CC(=O)O)CS(=O)(=O)N AB08121 [0,1,1,0,0,0|1,0,0]=3 154 B9R1.7 CCOC1CCC(=O)N1 AB15019 [1,1,0,0,0,0|1,0,1]=4 155 B9R1.132 CN1C(CCC1=O)C#N MB69103 [1,1,0,0,0,0|1,0,1]=4 156 B9R1.132 CN1C(CCC1=O)C=C MB69106 [1,1,0,0,0,0|1,0,0]=3 157 B9R1.132 CN1C(CCC1=O)CO MB69102 [1,1,0,0,0,0|0,0,1]=3 158 B9R1.11 COC(=O)C1CCNC1 PB20842 [1,1,0,0,0,0|2,0,0]=4 159 B9R1.11 COC(=O)C1CCOC1 PB14439 [1,1,0,0,0,0|2,0,0]=4 160 B9R1.11 COC(=O)[C@@H]1CCCN1 AB16177 [1,1,0,0,0,0|0,0,1]=3 161 B9R1.11 COC(=O)[C@@H]1CCNC1 PB24127 [1,1,0,0,0,0|2,0,0]=4 162 B9R1.11 COC(=O)[C@@H]1CCOC1 PB21424 [1,1,0,0,0,0|2,0,0]=4 163 B9R1.11 COC(=O)[C@H]1CCNC1 PB24144 [1,1,0,0,0,0|2,0,0]=4 164 B9R1.11 COC(=O)[C@H]1CCOC1 PB21418 [1,1,0,0,0,0|2,0,0]=4 165 B9R1.41 C1CNC(=O)C1C(=O)O PB18154 [1,1,0,0,0,0|2,0,0]=4 166 B9R1.41 C1CN[C@@H]([C@H]1O)C(=O)O PB33863 [1,1,0,0,0,0|0,0,1]=3 167 B9R1.41 C1C[C@@H]([C@@H](C1)N)C(=O)O AB03887 [1,1,0,0,0,0|1,0,1]=4 168 B9R1.41 C1C[C@@H]([C@H](C1)N)C(=O)O MB07569 [1,1,0,0,0,0|1,0,1]=4 169 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O AB22519 [1,1,0,0,0,0|1,0,1]=4 170 B9R1.41 C[C@@H]1CCN[C@@H]1C(=O)O AB76257 [1,1,0,0,0,0|0,0,1]=3 171 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O AB03831 [1,1,0,0,0,0|0,0,1]=3 172 B9R1.163 C1C=CCC1(C(=O)O)N AB14600 [1,1,0,0,0,0|1,0,1]=4 173 B9R1.163 C1CCC(C1)(C(=O)O)O CB10167 [1,1,0,0,0,0|1,0,1]=4 174 B9R1.163 C1CNCC1(C(=O)O)F PB31935 [1,1,0,0,0,0|2,0,0]=4 175 B9R1.163 C1CNCC1(C(=O)O)N AB43590 [1,1,0,0,0,0|2,0,0]=4 176 B9R1.163 C1COCC1(C(=O)O)N PB18879 [1,1,0,0,0,0|2,0,0]=4 177 B9R1.163 CC1(CCCN1)C(=O)O AB08716 [1,1,0,0,0,0|0,0,1]=3 178 B9R1.163 CC1(CCCO1)C(=O)O CB10966 [1,1,0,0,0,0|1,0,1]=4 179 B9R1.163 CC1(CCOC1)C(=O)O PB17988 [1,1,0,0,0,0|2,0,0]=4 180 B9R1.163 C[C@@]1(CCCN1)C(=O)O PB18294 [1,1,0,0,0,0|0,0,1]=3 181 B9R1.163 C[C@]1(CCCN1)C(=O)O PB34076 [1,1,0,0,0,0|0,0,1]=3 182 B9R1.82 COC(=O)C1CC(=C)C1 PB23217 [0,1,0,0,1,0|2,0,0]=4 183 B9R1.82 COC(=O)C1CC(=O)C1 PB32215 [0,1,0,0,1,0|1,0,0]=3 184 B9R1.152 CC1(CC(=C)C1)C(=O)O PB34988 [0,1,0,0,1,0|2,0,0]=4 185 B9R1.152 CC1(CC(=O)C1)C(=O)O PB12182 [0,1,0,0,1,0|1,0,0]=3 186 B9R1.96 C1CN([C@@H]1C(=O)O)N=O MB03151 [0,1,0,0,1,0|1,0,0]=3 187 B11R1.3 C1CN(CCC1C(=O)O)C=O PB20033 [0,1,0,0,0,1|2,0,0]=4 188 B11R1.21 CN1CC(CCC1=O)C(=O)O PB16151 [0,1,0,0,0,1|0,0,0]=2 189 B11R1.22 COC(=O)C1CCC(=O)NC1 PB22855 [0,1,0,0,0,1|0,0,0]=2 190 B11R1.22 COC(=O)[C@@H]1CC[C@@H](CN1)O PB13872 [0,1,0,0,0,1|0,0,2]=4 191 B11R1.22 COC(=O)[C@@H]1CNC(=O)CN1 AB66815 [0,1,0,0,0,1|1,0,0]=3 192 B11R1.22 C[C@@H]1CC[C@@H](CN1)C(=O)OC PB35041 [0,1,0,0,0,1|1,0,1]=4 193 B11R1.727 C1CC(CNC1C(=O)O)(F)F PB34950 [0,1,0,0,0,1|1,0,1]=4 194 B11R1.727 C1CS(=O)(=O)CCC1C(=O)O PB30750 [0,1,0,0,0,1|2,0,0]=4 195 B11R1.710 C1CS(=O)(=O)NC1CC(=O)O PB25767 [0,1,0,0,0,1|1,0,0]=3 196 B11R1.23 COC(=O)C1CCCC(=O)N1 AB63646 [0,1,0,0,0,1|0,0,0]=2 197 B11R1.23 COC(=O)C1CCNC(=O)C1 PB33296 [0,1,0,0,0,1|1,0,0]=3 198 B11R1.667 CC1CCCC(N1)(C(=O)O)N AB21179 [0,1,0,0,0,1|1,0,1]=4 199 B11R1.15 CCOC(=O)C1CC(=O)NC1 AB44509 [0,2,0,0,0,0|2,0,0]=4 200 B11R1.15 CCOC(=O)N1CCC(=O)C1 PB29183 [0,2,0,0,0,0|2,0,0]=4 201 B11R1.865 CN1C(CCC1=O)C(=O)OC MB11513 [0,2,0,0,0,0|0,0,0]=2 202 B9R1.6 C1CCN[C@@H](C1)C(=O)O AB00554 [0,0,1,1,0,0|1,0,1]=4 203 B9R1.6 C1CCN[C@H](C1)C(=O)O AB07110 [0,0,1,1,0,0|1,0,1]=4 204 B9R1.6 C1C[C@@H](CC=C1)C(=O)O PB18863 [0,0,1,1,0,0|2,0,0]=4 205 B9R1.6 C1C[C@H](CC=C1)C(=O)O PB29511 [0,0,1,1,0,0|2,0,0]=4 206 B9R1.69 C1CC(=O)NC(=O)C1N PB14928 [0,0,1,1,0,0|1,0,0]=3 207 B9R1.110 C1C(CO1)C(C(=O)O)N PB11723 [0,0,1,1,0,0|2,0,0]=4 208 B9R1.110 C1C(CO1)[C@@H](C(=O)O)N PB38610 [0,0,1,1,0,0|2,0,0]=4 209 B9R1.110 C1C(CO1)[C@H](C(=O)O)N PB36253 [0,0,1,1,0,0|2,0,0]=4 210 B9R1.110 C1CC(C1)C(C(=O)O)N PB17607 [0,0,1,1,0,0|1,0,1]=4 211 B9R1.110 C1CC(C1)[C@@H](C(=O)O)N PB16030 [0,0,1,1,0,0|1,0,1]=4 212 B9R1.110 C1CC(C1)[C@H](C(=O)O)N PB27915 [0,0,1,1,0,0|1,0,1]=4 213 B9R1.112 C1CC1C[C@@H](C(=O)O)N AB16716 [0,0,1,1,0,0|1,0,1]=4 214 B9R1.53 C1C(CC1N)CC(=O)O PB36872 [0,0,1,1,0,0|1,0,1]=4 215 B9R1.53 C1[C@@H](C[C@@H]1CC(=O)O)N PB38036 [0,0,1,1,0,0|1,0,1]=4 216 B9R1.53 C1[C@@H](C[C@H]1CC(=O)O)N PB38407 [0,0,1,1,0,0|1,0,1]=4 217 B9R1.53 CC(=O)OC1CC(=O)N1 PB20865 [0,0,1,1,0,0|2,0,0]=4 218 B7R1.8 C1CC(=O)C1CO PB37542 [1,0,0,0,1,0|0,0,1]=3 219 B7R1.10 C1C(CC1=O)CO PB17805 [1,0,0,0,1,0|1,0,1]=4 220 B7R1.18 C1C(CN1)C(=O)O PB12129 [1,0,0,0,1,0|1,0,1]=4 221 B7R1.18 C1C(CO1)C(=O)O PB18896 [1,0,0,0,1,0|1,0,1]=4 222 B7R1.18 C1CN(C1)C(=O)O AB16585 [1,0,0,0,1,0|1,0,1]=4 223 B7R1.18 C1CNC1C(=O)N MB03936 [1,0,0,0,1,0|1,0,0]=3 224 B7R1.18 C1CNC1C(=O)O PB12060 [1,0,0,0,1,0|0,0,0]=2 225 B7R1.18 C1CN[C@H]1C(=O)O PB29123 [1,0,0,0,1,0|0,0,0]=2 226 B7R1.18 C1COC1C(=O)O PB26385 [1,0,0,0,1,0|1,0,0]=3 227 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O PB33460 [0,0,0,0,2,0|1,0,1]=4 228 B9R0.4 CCCCC(CC(=O)O)N AB08231 [0,0,1,0,0,1|1,0,1]=4 229 B9R1.2 C1CC(NC(=O)C1)CO AB63547 [1,0,0,0,0,1|0,0,1]=3 230 B9R1.2 C1CNC(=O)CC1CO PB18227 [1,0,0,0,0,1|1,0,1]=4 231 B9R1.2 CCC1CCCC(=O)N1 CB11733 [1,0,0,0,0,1|1,0,1]=4 232 B9R1.2 CCC1COCC(=O)N1 AB56433 [1,0,0,0,0,1|1,0,1]=4 233 B9R1.13 C1CNCC1CC(=O)O PB14239 [1,0,0,0,0,1|2,0,0]=4 234 B9R1.13 C1CNC[C@@H]1CC(=O)O PB34430 [1,0,0,0,0,1|2,0,0]=4 235 B9R1.13 C1CNC[C@H]1CC(=O)O PB22689 [1,0,0,0,0,1|2,0,0]=4 236 B9R1.13 C1COCC1CC(=O)O CB10890 [1,0,0,0,0,1|2,0,0]=4 237 B9R1.13 C1C[C@@H](NC1)CC(=O)O PB32966 [1,0,0,0,0,1|0,0,1]=3 238 B9R1.13 C1C[C@H](NC1)CC(=O)O PB32289 [1,0,0,0,0,1|0,0,1]=3 239 B11R1.20 C1C(NCC(=O)N1)CC(=O)O AB61630 [0,0,0,0,0,2|1,0,0]=3 240 B11R1.20 C1CN(CCC1=O)CC(=O)O AB19488 [0,0,0,0,0,2|2,0,0]=4 241 B11R1.20 C1[C@@H](NCC(=O)N1)CC(=O)O AB61635 [0,0,0,0,0,2|1,0,0]=3 242 B11R1.20 C1[C@H](NCC(=O)N1)CC(=O)O AB61634 [0,0,0,0,0,2|1,0,0]=3 243 B11R1.157 C1C(NC(=O)CN1)CC(=O)O AB61646 [0,0,0,0,0,2|0,0,0]=2 244 B11R1.157 C1CN(CC(=O)N1)CC(=O)O AB25397 [0,0,0,0,0,2|2,0,0]=4 245 B11R1.157 C1[C@@H](NC(=O)CN1)CC(=O)O AB61653 [0,0,0,0,0,2|0,0,0]=2 246 B11R1.157 C1[C@H](NC(=O)CN1)CC(=O)O AB61649 [0,0,0,0,0,2|0,0,0]=2