0 B7R0.5 CCC[C@@H](C(=O)O)N AB02603 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.5 CCC[C@H](C(=O)O)N AB00929 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.5 CCOC(=O)C(=O)N AB00911 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.5 CNC[C@@H](C(=O)O)N CB10181 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.5 CNC[C@@H](C(=O)O)N CB11070 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.1 COCC(CO)N AB24949 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.3 B(C(C)CC)(O)O AB25482 [1,0,0,0,0,0|1,0,1]=3 7 B6R0.3 C([C@H](C(=O)O)N)S AB02703 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.3 CC(CN)C(=O)O AB00933 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.3 CCC(C(=O)O)N AB00928 [1,0,0,0,0,0|1,0,0]=2 10 B6R0.3 CCN(C)C(=O)Cl MB05193 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.3 C[C@@H](CN)C(=O)O AB35706 [1,0,0,0,0,0|1,0,0]=2 12 B6R0.3 C[C@H](CN)C(=O)O AB08204 [1,0,0,0,0,0|1,0,0]=2 13 B6R0.4 C#CCCC(=O)O CB10019 [1,0,0,0,0,0|0,0,2]=3 14 B6R0.4 C=C(CCCCl)I MB13670 [1,0,0,0,0,0|3,0,0]=4 15 B8R0.2 CCC(C)C(C(=O)O)Br CB10117 [0,1,0,0,0,0|1,0,0]=2 16 B8R0.12 CCCC(C)(C(=O)O)N AB12001 [0,1,0,0,0,0|0,0,0]=1 17 B8R0.12 CCC[C@@](C)(C(=O)O)N AB09816 [0,1,0,0,0,0|0,0,0]=1 18 B8R0.12 CCC[C@](C)(C(=O)O)N AB21888 [0,1,0,0,0,0|0,0,0]=1 19 B8R0.12 COCC(C(=O)O)(F)F PB38464 [0,1,0,0,0,0|2,0,0]=3 20 B8R0.12 C[C@@](CC=C)(C(=O)O)N AB04108 [0,1,0,0,0,0|0,0,2]=3 21 B8R0.12 C[C@](CC=C)(C(=O)O)N AB03939 [0,1,0,0,0,0|0,0,2]=3 22 B8R0.23 CC(CC(=O)C)C(=O)O PB27433 [0,1,0,0,0,0|0,0,1]=2 23 B8R1.5 C1CCC(=O)C(C1)F MB01688 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.5 C1CC[C@@H]([C@@H](C1)N)O AB49860 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.5 C1CC[C@@H]([C@H](C1)N)O AB00141 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.5 C1CC[C@H]([C@@H](C1)N)O AB15074 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.5 C1CC[C@H]([C@H](C1)N)O AB03884 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.5 C1CNCC(C1=O)F PB20587 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.5 C1COCC(C1=O)Br PB18064 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.5 C1COCC(C1=O)F PB28362 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.5 C1C[C@@H](C(=O)NC1)N AB49759 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.5 C1C[C@H](C(=O)NC1)N AB45380 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.5 CC1C(=O)NCCN1 AB04135 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.5 CC1C(=O)NCCO1 AB71412 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.5 CC1C(OCCN1)C AB72725 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.5 CC1CCNCC1=O PB36769 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.5 CC1CCNCC1O PB36981 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.5 CC1CNCCC1=O PB23474 [0,0,0,1,0,0|2,0,0]=3 39 B8R1.5 CC1COCCC1=O PB26907 [0,0,0,1,0,0|2,0,0]=3 40 B8R1.5 CN1CCNCC1=O PB24934 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.5 C[C@@H]1C(=O)NCCN1 AB76857 [0,0,0,1,0,0|2,0,0]=3 42 B8R1.5 C[C@@H]1CCNC[C@@H]1O PB36094 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.5 C[C@@H]1CCNC[C@H]1O PB11361 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.5 C[C@@H]1CCNC[C@H]1O PB36650 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.5 C[C@H]1C(=O)NCCN1 AB37140 [0,0,0,1,0,0|2,0,0]=3 46 B8R1.5 C[C@H]1CCNC[C@H]1O PB39034 [0,0,0,1,0,0|2,0,1]=4 47 B8R1.7 B(C1CCCC1)(O)O AB08034 [0,0,0,1,0,0|1,0,1]=3 48 B8R1.7 B(C1CCNC1)(O)O AB68586 [0,0,0,1,0,0|2,0,1]=4 49 B8R1.7 C1C=CCC1C(=O)O PB14124 [0,0,0,1,0,0|0,0,2]=3 50 B8R1.7 C1CCC(C1)C(=O)O AB00138 [0,0,0,1,0,0|0,0,0]=1 51 B8R1.7 C1CNCC1C(=O)N PB11736 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.7 C1CNCC1C(=O)N PB32691 [0,0,0,1,0,0|2,0,0]=3 53 B8R1.7 C1CNCC1C(=O)O PB19915 [0,0,0,1,0,0|1,0,0]=2 54 B8R1.7 C1CNC[C@@H]1C(=O)N PB14988 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.7 C1CNC[C@@H]1C(=O)O PB16017 [0,0,0,1,0,0|1,0,0]=2 56 B8R1.7 C1CNC[C@H]1C(=O)N PB16436 [0,0,0,1,0,0|2,0,0]=3 57 B8R1.7 C1CNC[C@H]1C(=O)N PB28896 [0,0,0,1,0,0|2,0,0]=3 58 B8R1.7 C1CNC[C@H]1C(=O)O PB10622 [0,0,0,1,0,0|1,0,0]=2 59 B8R1.7 C1COC=C1C(=O)O PB26262 [0,0,0,1,0,0|1,0,2]=4 60 B8R1.7 C1COCC1C(=O)N PB20686 [0,0,0,1,0,0|2,0,0]=3 61 B8R1.7 C1COC[C@@H]1C(=O)O PB15879 [0,0,0,1,0,0|1,0,0]=2 62 B8R1.7 C1COC[C@H]1C(=O)O PB26265 [0,0,0,1,0,0|1,0,0]=2 63 B8R1.7 C1C[C@@H](NC1)C(=O)N AB04106 [0,0,0,1,0,0|2,0,0]=3 64 B8R1.7 C1C[C@@H](NC1)C(=O)O AB02582 [0,0,0,1,0,0|1,0,0]=2 65 B8R1.7 C1C[C@H](NC1)C(=O)N AB00394 [0,0,0,1,0,0|2,0,0]=3 66 B8R1.7 C1[C@@H](NCS1)C(=O)O AB03779 [0,0,0,1,0,0|2,0,0]=3 67 B8R1.18 CN1CC(CC1=O)N PB22380 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.23 C1C(CC1=O)C(=O)O PB20916 [0,0,0,1,0,0|1,0,1]=3 69 B8R1.23 C1C(CC1Cl)C(=O)O PB13057 [0,0,0,1,0,0|1,0,0]=2 70 B8R1.23 C1C(CC1F)C(=O)O PB20399 [0,0,0,1,0,0|1,0,0]=2 71 B8R1.23 C1C(CC1O)C(=O)O PB26416 [0,0,0,1,0,0|1,0,0]=2 72 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)N PB12385 [0,0,0,1,0,0|1,0,0]=2 73 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)N PB25257 [0,0,0,1,0,0|1,0,0]=2 74 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)O PB34748 [0,0,0,1,0,0|1,0,0]=2 75 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N PB21941 [0,0,0,1,0,0|1,0,0]=2 76 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N PB31884 [0,0,0,1,0,0|1,0,0]=2 77 B8R1.23 C1[C@@H](NC1=O)C(=O)O PB27000 [0,0,0,1,0,0|2,0,1]=4 78 B8R1.23 C1[C@H](NC1=O)C(=O)O PB21715 [0,0,0,1,0,0|2,0,1]=4 79 B8R1.23 C=C1CC(C1)C(=O)O PB25975 [0,0,0,1,0,0|0,0,2]=3 80 B8R1.23 CC(=O)N1CC(C1)N PB34955 [0,0,0,1,0,0|3,0,0]=4 81 B8R1.23 CC(=O)N1CC(C1)O PB10405 [0,0,0,1,0,0|3,0,0]=4 82 B8R1.23 CC1CC(C1)C(=O)O PB21154 [0,0,0,1,0,0|0,0,0]=1 83 B8R1.23 CN1CC(C1)C(=O)O PB25405 [0,0,0,1,0,0|1,0,0]=2 84 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O PB24101 [0,0,0,1,0,0|0,0,0]=1 85 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O PB24098 [0,0,0,1,0,0|0,0,0]=1 86 B8R1.54 C1CC1C(=O)C(=O)O AB65215 [0,0,0,1,0,0|1,0,1]=3 87 B8R1.54 C1CC1C(C(=O)O)N CB11349 [0,0,0,1,0,0|1,0,0]=2 88 B8R1.78 C1C(CN1)(C(=O)O)F PB37679 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.78 C1C(CN1)(C(=O)O)N PB15076 [0,0,0,1,0,0|2,0,0]=3 90 B8R1.78 C1C(CO1)(C(=O)O)N PB22638 [0,0,0,1,0,0|2,0,0]=3 91 B8R1.78 C1C(CS1)(C(=O)O)N PB19288 [0,0,0,1,0,0|2,0,0]=3 92 B8R1.78 C1CC(C1)(C(=O)O)N PB32216 [0,0,0,1,0,0|1,0,0]=2 93 B8R1.78 CC(=O)C1(COC1)C PB19706 [0,0,0,1,0,0|2,0,0]=3 94 B8R1.78 CC1(CCC1)C(=O)O PB11149 [0,0,0,1,0,0|0,0,0]=1 95 B8R1.78 CC1(COC1)C(=O)O PB28060 [0,0,0,1,0,0|1,0,0]=2 96 B8R0.5 CCCC(CC(=O)O)N AB01975 [0,0,0,0,0,1|1,0,0]=2 97 B8R0.5 CCOC(=O)CC(=O)O AB01280 [0,0,0,0,0,1|2,0,1]=4 98 B5R0.1 B(CCC)(O)O AB08045 [2,0,0,0,0,0|1,0,1]=4 99 B5R0.1 C#CCC(=O)O AB11673 [2,0,0,0,0,0|0,0,2]=4 100 B5R0.3 CCC(=O)C=O AB21438 [2,0,0,0,0,0|1,0,1]=4 101 B5R0.3 C[C@@H](CO)NC AB31545 [2,0,0,0,0,0|1,0,1]=4 102 B5R0.5 B(C(C)C)(O)O AB08847 [2,0,0,0,0,0|1,0,1]=4 103 B5R0.5 CC(C(=O)N)N AB43014 [2,0,0,0,0,0|2,0,0]=4 104 B5R0.5 CC(C)C(=N)N AB07702 [2,0,0,0,0,0|2,0,0]=4 105 B5R0.5 CC(C)C(=S)N AB32169 [2,0,0,0,0,0|1,1,0]=4 106 B5R0.5 C[C@@H](C(=O)O)Br AB03774 [2,0,0,0,0,0|1,0,0]=3 107 B5R0.5 C[C@@H](C(=O)O)N AB02601 [2,0,0,0,0,0|1,0,0]=3 108 B7R0.3 C[C@H](CO)OCOC AB53701 [1,1,0,0,0,0|1,0,1]=4 109 B7R0.11 CCO[C@@](C)(CO)O AB31299 [1,1,0,0,0,0|1,0,1]=4 110 B7R0.13 CC(C)(CN)C(=O)N PB29404 [1,1,0,0,0,0|2,0,0]=4 111 B7R0.13 CC(C)(CN)C(=O)O AB49662 [1,1,0,0,0,0|1,0,0]=3 112 B7R0.13 CC[C@@](C)(C(=O)O)N AB03946 [1,1,0,0,0,0|0,0,0]=2 113 B7R0.13 CC[C@](C)(C(=O)O)N AB07274 [1,1,0,0,0,0|0,0,0]=2 114 B7R0.13 C[C@@](CO)(C(=O)O)N AB03932 [1,1,0,0,0,0|1,0,0]=3 115 B7R0.13 C[C@@](CS)(C(=O)O)N AB56457 [1,1,0,0,0,0|1,0,0]=3 116 B7R0.13 C[C@](CO)(C(=O)O)N AB03935 [1,1,0,0,0,0|1,0,0]=3 117 B7R0.13 C[C@](CS)(C(=O)O)N AB65504 [1,1,0,0,0,0|1,0,0]=3 118 B7R0.15 CCC(CN)C(=O)O AB62466 [1,1,0,0,0,0|0,0,0]=2 119 B7R0.16 CC(C)[C@@H](C(=O)O)N AB02570 [1,1,0,0,0,0|1,0,0]=3 120 B7R0.16 CC(C)[C@H](C(=O)O)N AB02568 [1,1,0,0,0,0|1,0,0]=3 121 B7R0.4 B(CCCCC)(O)O AB08098 [1,1,0,0,0,0|1,0,1]=4 122 B7R0.4 CCCCO[N+](=O)[O-] AB01790 [1,1,0,0,0,0|1,0,1]=4 123 B7R0.6 CC(=O)NCC(=O)O AB00351 [1,1,0,0,0,0|1,0,1]=4 124 B9R0.4 CCCCC(CC(=O)O)N AB08231 [0,1,0,0,0,1|1,0,0]=3 125 B9R0.35 CCCC(=O)C(=O)OCC AB25061 [0,2,0,0,0,0|1,0,1]=4 126 B9R0.7 CC(C)CC[C@@H](C(=O)O)N AB15913 [0,2,0,0,0,0|1,0,0]=3 127 B9R0.7 CC(C)CC[C@H](C(=O)O)N AB29542 [0,2,0,0,0,0|1,0,0]=3 128 B9R0.42 CC(C(=O)O)NC(=O)OC AB63726 [0,2,0,0,0,0|1,0,1]=4 129 B9R0.42 CNC(=O)C[C@H](C(=O)O)N AB18413 [0,2,0,0,0,0|1,0,1]=4 130 B9R0.51 C[C@@](CCSC)(C(=O)O)N AB76492 [0,2,0,0,0,0|0,0,0]=2 131 B9R0.51 C[C@](CCSC)(C(=O)O)N AB76378 [0,2,0,0,0,0|0,0,0]=2 132 B9R0.11 CC(C)C[C@@](C)(C(=O)O)N AB09832 [0,2,0,0,0,0|0,0,0]=2 133 B9R0.11 CC(C)C[C@](C)(C(=O)O)N AB48913 [0,2,0,0,0,0|0,0,0]=2 134 B9R0.11 C[C@@](CC(=O)O)(C(=O)O)N AB04906 [0,2,0,0,0,0|1,0,1]=4 135 B9R0.11 C[C@](CC(=O)O)(C(=O)O)N AB03942 [0,2,0,0,0,0|1,0,1]=4 136 B9R0.39 CC(C)CC(CN)C(=O)O AB35728 [0,2,0,0,0,0|0,0,0]=2 137 B9R0.39 CC(C)C[C@@H](CN)C(=O)O AB35730 [0,2,0,0,0,0|0,0,0]=2 138 B9R0.39 CC(C)C[C@H](CN)C(=O)O AB35733 [0,2,0,0,0,0|0,0,0]=2 139 B9R0.39 CCC(C(=O)O)NC(=O)C AB01272 [0,2,0,0,0,0|1,0,1]=4 140 B9R0.57 C([C@@H](C(=O)O)N)C(F)(F)F AB71803 [0,2,0,0,0,0|2,0,0]=4 141 B9R0.57 C([C@H](C(=O)O)N)C(F)(F)F AB68601 [0,2,0,0,0,0|2,0,0]=4 142 B9R0.57 CC(C)(C)C[C@@H](C(=O)O)N AB02684 [0,2,0,0,0,0|1,0,0]=3 143 B9R0.57 CC(C)(C)C[C@H](C(=O)O)N AB01734 [0,2,0,0,0,0|1,0,0]=3 144 B7R1.1 C1C=CCC1C=O AB76805 [1,0,0,1,0,0|0,0,2]=4 145 B7R1.1 C1CCC(C1)C=O AB02400 [1,0,0,1,0,0|0,0,0]=2 146 B7R1.1 C1CCC(C1)CBr AB50196 [1,0,0,1,0,0|1,0,1]=4 147 B7R1.1 C1CCC(C1)CI AB15507 [1,0,0,1,0,0|1,0,1]=4 148 B7R1.1 C1CCC(C1)CN AB17884 [1,0,0,1,0,0|1,0,1]=4 149 B7R1.1 C1CNCC1CO PB15896 [1,0,0,1,0,0|1,0,1]=4 150 B7R1.1 C1CNCC1CO PB31387 [1,0,0,1,0,0|1,0,1]=4 151 B7R1.1 C1CNC[C@@H]1CO PB12644 [1,0,0,1,0,0|1,0,1]=4 152 B7R1.1 C1CNC[C@@H]1CO PB19010 [1,0,0,1,0,0|1,0,1]=4 153 B7R1.1 C1CNC[C@H]1CO PB31350 [1,0,0,1,0,0|1,0,1]=4 154 B7R1.1 C1CNC[C@H]1CO PB32765 [1,0,0,1,0,0|1,0,1]=4 155 B7R1.1 C1COCC1CO PB30586 [1,0,0,1,0,0|1,0,1]=4 156 B7R1.1 C1COC[C@@H]1CO PB30186 [1,0,0,1,0,0|1,0,1]=4 157 B7R1.1 C1COC[C@H]1CO PB34870 [1,0,0,1,0,0|1,0,1]=4 158 B7R1.1 C1C[C@@H](NC1)CO PB21663 [1,0,0,1,0,0|1,0,1]=4 159 B7R1.1 C1C[C@H](NC1)CO PB30520 [1,0,0,1,0,0|1,0,1]=4 160 B7R1.3 C1CC(COC1)Br MB04535 [1,0,0,1,0,0|1,0,1]=4 161 B7R1.3 C1CC(COC1)N PB30901 [1,0,0,1,0,0|1,0,1]=4 162 B7R1.3 C1CC(COC1)O PB32182 [1,0,0,1,0,0|1,0,1]=4 163 B7R1.3 CC1CCCNC1 AB00557 [1,0,0,1,0,0|1,0,1]=4 164 B7R1.3 CC1COCCN1 AB49614 [1,0,0,1,0,0|1,0,1]=4 165 B7R1.3 C[C@@H]1COCCN1 AB62216 [1,0,0,1,0,0|1,0,1]=4 166 B7R1.3 C[C@H]1COCCN1 AB16412 [1,0,0,1,0,0|1,0,1]=4 167 B7R1.4 C1CNC(=O)[C@@H]1N AB64075 [1,0,0,1,0,0|2,0,0]=4 168 B7R1.4 C1CNC(=O)[C@H]1N AB64072 [1,0,0,1,0,0|2,0,0]=4 169 B7R1.4 C1CNC(=O)[C@H]1O AB29512 [1,0,0,1,0,0|2,0,0]=4 170 B7R1.4 C1COC(=O)[C@@H]1O MB00930 [1,0,0,1,0,0|2,0,0]=4 171 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB12529 [1,0,0,1,0,0|1,0,1]=4 172 B7R1.4 C1C[C@@H]([C@H](C1)O)N AB46088 [1,0,0,1,0,0|1,0,1]=4 173 B7R1.4 C1C[C@H]([C@H](C1)O)N AB30961 [1,0,0,1,0,0|1,0,1]=4 174 B7R1.4 C1C[C@H]([C@H](C1)O)N AB49868 [1,0,0,1,0,0|1,0,1]=4 175 B7R1.6 C1C(CO1)CCN AB76310 [1,0,0,1,0,0|1,0,1]=4 176 B7R1.6 C1C(CO1)CCO PB15326 [1,0,0,1,0,0|1,0,1]=4 177 B7R1.6 CCNC1COC1 PB13879 [1,0,0,1,0,0|1,0,1]=4 178 B7R1.6 CNCC1COC1 PB36516 [1,0,0,1,0,0|1,0,1]=4 179 B7R1.10 C1C(CC1Cl)CO PB34804 [1,0,0,1,0,0|1,0,1]=4 180 B7R1.10 C1C(CC1N)CO PB17688 [1,0,0,1,0,0|1,0,1]=4 181 B7R1.10 C1C(CC1N)CO PB21400 [1,0,0,1,0,0|1,0,1]=4 182 B7R1.10 C1[C@@H](C[C@@H]1CO)N PB19477 [1,0,0,1,0,0|1,0,1]=4 183 B7R1.10 C1[C@@H](C[C@@H]1CO)N PB27028 [1,0,0,1,0,0|1,0,1]=4 184 B7R1.10 C1[C@@H](C[C@H]1CO)N PB18381 [1,0,0,1,0,0|1,0,1]=4 185 B7R1.10 C1[C@@H](C[C@H]1CO)N PB34902 [1,0,0,1,0,0|1,0,1]=4 186 B7R1.22 C1CC1C(=O)C=O AB62322 [1,0,0,1,0,0|1,0,1]=4 187 B7R1.25 C1CC(C1)(CO)N PB16437 [1,0,0,1,0,0|1,0,1]=4 188 B7R1.25 CC1(CCC1)CN PB11165 [1,0,0,1,0,0|1,0,1]=4 189 B7R1.25 CC1(COC1)C=O PB34454 [1,0,0,1,0,0|1,0,0]=3 190 B7R1.25 CC1(COC1)CO PB20862 [1,0,0,1,0,0|1,0,1]=4 191 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O PB33460 [1,0,0,1,0,0|1,0,0]=3 192 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl CB11891 [1,0,0,1,0,0|1,0,0]=3 193 B7R1.18 B(C1CCC1)(O)O AB29820 [1,0,0,1,0,0|1,0,1]=4 194 B7R1.18 C1C(CN1)C(=O)N PB14800 [1,0,0,1,0,0|2,0,0]=4 195 B7R1.18 C1C(CN1)C(=O)N PB22567 [1,0,0,1,0,0|2,0,0]=4 196 B7R1.18 C1C(CN1)C(=O)O PB12129 [1,0,0,1,0,0|1,0,0]=3 197 B7R1.18 C1C(CO1)C(=O)O PB18896 [1,0,0,1,0,0|1,0,0]=3 198 B7R1.18 C1CC(C1)C(=N)N PB21224 [1,0,0,1,0,0|2,0,0]=4 199 B7R1.18 C1CC(C1)[N+](=O)[O-] CB11721 [1,0,0,1,0,0|1,0,1]=4 200 B7R1.18 C1CN(C1)C(=O)O AB16585 [1,0,0,1,0,0|1,0,0]=3 201 B7R1.18 C1CNC1C(=O)N MB03936 [1,0,0,1,0,0|2,0,0]=4 202 B7R1.18 C1CNC1C(=O)O PB12060 [1,0,0,1,0,0|1,0,0]=3 203 B7R1.18 C1CN[C@H]1C(=O)O PB29123 [1,0,0,1,0,0|1,0,0]=3 204 B7R1.18 C1COC1C(=O)O PB26385 [1,0,0,1,0,0|1,0,0]=3 205 B7R1.18 CC(C1CCC1)O CB10183 [1,0,0,1,0,0|1,0,1]=4 206 B7R1.19 C1CC1(C(=O)O)N PB23174 [1,0,0,1,0,0|1,0,0]=3 207 B7R1.20 C1CC1CC(=N)N AB49225 [1,0,0,1,0,0|2,0,0]=4 208 B7R1.20 C1CC1CC(=O)O PB21648 [1,0,0,1,0,0|0,0,0]=2 209 B9R1.7 CCOC1CCC(=O)N1 AB15019 [0,0,0,1,0,1|2,0,0]=4 210 B9R1.13 C1CNCC1CC(=O)O PB14239 [0,0,0,1,0,1|1,0,0]=3 211 B9R1.13 C1CNC[C@@H]1CC(=O)O PB34430 [0,0,0,1,0,1|1,0,0]=3 212 B9R1.13 C1CNC[C@H]1CC(=O)O PB22689 [0,0,0,1,0,1|1,0,0]=3 213 B9R1.13 C1COCC1CC(=O)O CB10890 [0,0,0,1,0,1|1,0,0]=3 214 B9R1.13 C1C[C@@H](NC1)CC(=O)O PB32966 [0,0,0,1,0,1|1,0,0]=3 215 B9R1.13 C1C[C@H](NC1)CC(=O)O PB32289 [0,0,0,1,0,1|1,0,0]=3 216 B9R1.13 CC(=O)N[C@@H]1CCNC1 PB10078 [0,0,0,1,0,1|2,0,0]=4 217 B9R1.41 C1CN[C@@H]([C@H]1O)C(=O)O PB33863 [0,0,0,1,0,1|2,0,0]=4 218 B9R1.41 C1C[C@@H]([C@@H](C1)N)C(=O)O AB03887 [0,0,0,1,0,1|1,0,0]=3 219 B9R1.41 C1C[C@@H]([C@H](C1)N)C(=O)O MB07569 [0,0,0,1,0,1|1,0,0]=3 220 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O AB22519 [0,0,0,1,0,1|1,0,0]=3 221 B9R1.41 C[C@@H]1CCN[C@@H]1C(=O)O AB76257 [0,0,0,1,0,1|1,0,0]=3 222 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O AB03831 [0,0,0,1,0,1|1,0,0]=3 223 B9R1.48 CC1CC(=O)NCCN1 PB15399 [0,0,0,1,0,1|2,0,0]=4 224 B9R1.53 C1C(CC1N)CC(=O)O PB36872 [0,0,0,1,0,1|1,0,0]=3 225 B9R1.53 C1[C@@H](C[C@@H]1CC(=O)O)N PB38036 [0,0,0,1,0,1|1,0,0]=3 226 B9R1.53 C1[C@@H](C[C@H]1CC(=O)O)N PB38407 [0,0,0,1,0,1|1,0,0]=3 227 B9R1.53 CC(=O)NC1CC(C1)N PB34690 [0,0,0,1,0,1|2,0,0]=4 228 B9R1.137 C1CC1C(CC(=O)O)N AB10167 [0,0,0,1,0,1|1,0,0]=3 229 B9R1.137 C1CC1[C@@H](CC(=O)O)N AB36095 [0,0,0,1,0,1|1,0,0]=3 230 B9R1.137 C1CC1[C@H](CC(=O)O)N AB23543 [0,0,0,1,0,1|1,0,0]=3 231 B9R1.171 CC1(COC1)CC(=O)O PB21034 [0,0,0,1,0,1|1,0,0]=3 232 B9R1.3 CN1CCCC(C1=O)N PB20691 [0,1,0,1,0,0|2,0,0]=4 233 B9R1.101 COC(=O)C(C1CC1)N CB11621 [0,1,0,1,0,0|1,0,0]=3 234 B9R1.110 C1C(CO1)C(C(=O)O)N PB11723 [0,1,0,1,0,0|1,0,0]=3 235 B9R1.110 C1C(CO1)[C@@H](C(=O)O)N PB38610 [0,1,0,1,0,0|1,0,0]=3 236 B9R1.110 C1C(CO1)[C@H](C(=O)O)N PB36253 [0,1,0,1,0,0|1,0,0]=3 237 B9R1.110 C1CC(C1)C(C(=O)O)N PB17607 [0,1,0,1,0,0|1,0,0]=3 238 B9R1.110 C1CC(C1)[C@@H](C(=O)O)N PB16030 [0,1,0,1,0,0|1,0,0]=3 239 B9R1.110 C1CC(C1)[C@H](C(=O)O)N PB27915 [0,1,0,1,0,0|1,0,0]=3 240 B9R1.110 CC(=O)N(C)C1CNC1 PB32857 [0,1,0,1,0,0|2,0,0]=4 241 B9R1.5 CN1CCNCCC1=O AB49613 [0,1,0,1,0,0|2,0,0]=4 242 B9R1.11 C1CC(OC1)C(=O)NN AB11571 [0,1,0,1,0,0|2,0,0]=4 243 B9R1.11 C1COCC1C(=O)NN PB34154 [0,1,0,1,0,0|2,0,0]=4 244 B9R1.11 COC(=O)C1CCNC1 PB20842 [0,1,0,1,0,0|1,0,0]=3 245 B9R1.11 COC(=O)C1CCOC1 PB14439 [0,1,0,1,0,0|1,0,0]=3 246 B9R1.11 COC(=O)[C@@H]1CCCN1 AB16177 [0,1,0,1,0,0|1,0,0]=3 247 B9R1.11 COC(=O)[C@@H]1CCNC1 PB24127 [0,1,0,1,0,0|1,0,0]=3 248 B9R1.11 COC(=O)[C@@H]1CCOC1 PB21424 [0,1,0,1,0,0|1,0,0]=3 249 B9R1.11 COC(=O)[C@H]1CCNC1 PB24144 [0,1,0,1,0,0|1,0,0]=3 250 B9R1.11 COC(=O)[C@H]1CCOC1 PB21418 [0,1,0,1,0,0|1,0,0]=3 251 B9R1.15 C1CC[C@H]([C@@H](C1)CN)O AB23390 [0,1,0,1,0,0|1,0,1]=4 252 B9R1.15 C1CC[C@H]([C@H](C1)CN)O AB03894 [0,1,0,1,0,0|1,0,1]=4 253 B9R1.15 CCC1C(=O)CCCN1 AB43253 [0,1,0,1,0,0|2,0,0]=4 254 B9R1.15 CCC1C(=O)NCCN1 AB22426 [0,1,0,1,0,0|2,0,0]=4 255 B9R1.15 CCC1CCCCC1=O AB02693 [0,1,0,1,0,0|1,0,0]=3 256 B9R1.15 CCC1COCCC1=O AB75455 [0,1,0,1,0,0|2,0,0]=4 257 B9R1.15 CC[C@@H]1C(=O)NCCN1 AB37155 [0,1,0,1,0,0|2,0,0]=4 258 B9R1.15 CC[C@H]1C(=O)NCCN1 AB37151 [0,1,0,1,0,0|2,0,0]=4 259 B9R1.15 CN[C@@H]1CCCC[C@@H]1O AB30960 [0,1,0,1,0,0|1,0,1]=4 260 B9R1.15 CN[C@@H]1CCCC[C@H]1O AB30957 [0,1,0,1,0,0|1,0,1]=4 261 B9R1.15 CN[C@H]1CCCC[C@@H]1O AB43551 [0,1,0,1,0,0|1,0,1]=4 262 B9R1.15 CN[C@H]1CCCC[C@H]1O AB49073 [0,1,0,1,0,0|1,0,1]=4 263 B9R1.15 COC1COCCC1=O PB17702 [0,1,0,1,0,0|2,0,0]=4 264 B9R1.33 CCCN1CCCC1=O AB51341 [0,1,0,1,0,0|2,0,0]=4 265 B9R1.69 CC1CN(CCC1=O)C AB03409 [0,1,0,1,0,0|2,0,0]=4 266 B9R1.69 CC1CNC(C(=O)N1)C AB71858 [0,1,0,1,0,0|1,0,0]=3 267 B9R1.69 CN1CC(CCC1=O)N PB13136 [0,1,0,1,0,0|2,0,0]=4 268 B9R1.69 C[C@@H]1CNC(=O)[C@@H](N1)C AB72319 [0,1,0,1,0,0|2,0,0]=4 269 B9R1.69 C[C@@H]1CNC(=O)[C@H](N1)C AB72313 [0,1,0,1,0,0|2,0,0]=4 270 B9R1.69 C[C@@H]1CN[C@@H](C(=O)N1)C AB72308 [0,1,0,1,0,0|1,0,0]=3 271 B9R1.69 C[C@@H]1CN[C@H](C(=O)N1)C AB72305 [0,1,0,1,0,0|1,0,0]=3 272 B9R1.69 C[C@H]1CNC(=O)[C@@H](N1)C AB72316 [0,1,0,1,0,0|2,0,0]=4 273 B9R1.69 C[C@H]1CNC(=O)[C@H](N1)C AB72314 [0,1,0,1,0,0|2,0,0]=4 274 B9R1.69 C[C@H]1CN[C@@H](C(=O)N1)C AB72311 [0,1,0,1,0,0|1,0,0]=3 275 B9R1.69 C[C@H]1CN[C@H](C(=O)N1)C AB72303 [0,1,0,1,0,0|1,0,0]=3 276 B9R1.82 COC(=O)C1CC(=C)C1 PB23217 [0,1,0,1,0,0|0,0,2]=4 277 B9R1.82 COC(=O)C1CC(=O)C1 PB32215 [0,1,0,1,0,0|1,0,1]=4 278 B9R1.82 COC(=O)C1CC(C1)Cl PB19451 [0,1,0,1,0,0|1,0,0]=3 279 B9R1.82 COC(=O)C1CC(C1)O PB33903 [0,1,0,1,0,0|1,0,0]=3 280 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)N PB33409 [0,1,0,1,0,0|1,0,0]=3 281 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)O PB11695 [0,1,0,1,0,0|1,0,0]=3 282 B9R1.82 COC(=O)[C@H]1C[C@H](C1)N PB13348 [0,1,0,1,0,0|1,0,0]=3 283 B9R1.82 COC(=O)[C@H]1C[C@H](C1)O PB16819 [0,1,0,1,0,0|1,0,0]=3 284 B9R1.186 CC1(CNC1)C(=O)OC PB37037 [0,1,0,1,0,0|1,0,0]=3 285 B9R1.186 CC1(COC1)C(=O)OC AB74157 [0,1,0,1,0,0|1,0,0]=3 286 B9R1.186 COC(=O)C1(CNC1)F PB37123 [0,1,0,1,0,0|2,0,0]=4 287 B9R1.186 COC(=O)C1(COC1)N PB33544 [0,1,0,1,0,0|2,0,0]=4 288 B9R1.6 B(C1CCCCC1)(O)O AB08478 [0,1,0,1,0,0|1,0,1]=4 289 B9R1.6 B(C1CCOCC1)(O)O AB32598 [0,1,0,1,0,0|1,0,1]=4 290 B9R1.6 C1CC(CNC1)C(=O)N PB19847 [0,1,0,1,0,0|1,0,0]=3 291 B9R1.6 C1CC(COC1)C(=O)O PB24847 [0,1,0,1,0,0|0,0,0]=2 292 B9R1.6 C1CC(CSC1)C(=O)O PB33209 [0,1,0,1,0,0|0,0,0]=2 293 B9R1.6 C1CCNC(C1)C(=O)N AB21908 [0,1,0,1,0,0|1,0,0]=3 294 B9R1.6 C1CCN[C@@H](C1)C(=O)O AB00554 [0,1,0,1,0,0|0,0,0]=2 295 B9R1.6 C1CCN[C@H](C1)C(=O)O AB07110 [0,1,0,1,0,0|0,0,0]=2 296 B9R1.6 C1CNC(CN1)C(=O)O AB01992 [0,1,0,1,0,0|1,0,0]=3 297 B9R1.6 C1CNCCC1C(=N)N AB22053 [0,1,0,1,0,0|2,0,0]=4 298 B9R1.6 C1CNCCC1C(=O)N PB25917 [0,1,0,1,0,0|1,0,0]=3 299 B9R1.6 C1CNCCC1C(=O)O AB00566 [0,1,0,1,0,0|0,0,0]=2 300 B9R1.6 C1CN[C@@H](CN1)C(=O)O AB08722 [0,1,0,1,0,0|1,0,0]=3 301 B9R1.6 C1CN[C@@H](CN1)C(=O)O PB24733 [0,1,0,1,0,0|1,0,0]=3 302 B9R1.6 C1CN[C@H](CN1)C(=O)O PB21831 [0,1,0,1,0,0|1,0,0]=3 303 B9R1.6 C1COC(CN1)C(=O)O MB02947 [0,1,0,1,0,0|1,0,0]=3 304 B9R1.6 C1COCC(N1)C(=O)O PB12912 [0,1,0,1,0,0|1,0,0]=3 305 B9R1.6 C1COCCC1C(=N)N PB32880 [0,1,0,1,0,0|2,0,0]=4 306 B9R1.6 C1COCCC1C(=O)O PB14093 [0,1,0,1,0,0|0,0,0]=2 307 B9R1.6 C1COC[C@@H](N1)C(=O)O PB23346 [0,1,0,1,0,0|1,0,0]=3 308 B9R1.6 C1COC[C@H](N1)C(=O)O PB30767 [0,1,0,1,0,0|1,0,0]=3 309 B9R1.6 C1CO[C@@H](CN1)C(=O)O MB08517 [0,1,0,1,0,0|1,0,0]=3 310 B9R1.6 C1CO[C@H](CN1)C(=O)O MB09173 [0,1,0,1,0,0|1,0,0]=3 311 B9R1.6 C1CSCCC1C(=O)O PB25232 [0,1,0,1,0,0|0,0,0]=2 312 B9R1.6 C1CSC[C@@H](N1)C(=O)O AB19234 [0,1,0,1,0,0|1,0,0]=3 313 B9R1.6 C1CSC[C@H](N1)C(=O)O AB08732 [0,1,0,1,0,0|1,0,0]=3 314 B9R1.6 C1C[C@@H](CC=C1)C(=O)O PB18863 [0,1,0,1,0,0|0,0,1]=3 315 B9R1.6 C1C[C@@H](CNC1)C(=O)N PB11551 [0,1,0,1,0,0|1,0,0]=3 316 B9R1.6 C1C[C@@H](CNC1)C(=O)N PB31846 [0,1,0,1,0,0|1,0,0]=3 317 B9R1.6 C1C[C@@H](CNC1)C(=O)O PB29158 [0,1,0,1,0,0|0,0,0]=2 318 B9R1.6 C1C[C@H](CC=C1)C(=O)O PB29511 [0,1,0,1,0,0|0,0,1]=3 319 B9R1.6 C1C[C@H](CNC1)C(=O)N PB24496 [0,1,0,1,0,0|1,0,0]=3 320 B9R1.6 C1C[C@H](CNC1)C(=O)N PB31844 [0,1,0,1,0,0|1,0,0]=3 321 B9R1.6 C1C[C@H](CNC1)C(=O)O PB30681 [0,1,0,1,0,0|0,0,0]=2 322 B9R1.23 CN1CC(CC1=O)CN PB25187 [0,1,0,1,0,0|2,0,0]=4 323 B9R1.35 C1CC(=O)CC1C(=O)O PB17215 [0,1,0,1,0,0|0,0,1]=3 324 B9R1.35 C1CC(=O)C[C@@H]1C(=O)O PB28806 [0,1,0,1,0,0|0,0,1]=3 325 B9R1.35 C1CC(=O)C[C@H]1C(=O)O PB15404 [0,1,0,1,0,0|0,0,1]=3 326 B9R1.35 C1CC(CC1C(=O)O)N PB32983 [0,1,0,1,0,0|0,0,0]=2 327 B9R1.35 C1C[C@@H](C[C@@H]1C(=O)O)N MB00932 [0,1,0,1,0,0|0,0,0]=2 328 B9R1.35 C1C[C@H](C[C@@H]1C(=O)O)N PB39081 [0,1,0,1,0,0|0,0,0]=2 329 B9R1.35 C1C[C@H](C[C@H]1C(=O)O)N PB37995 [0,1,0,1,0,0|0,0,0]=2 330 B9R1.35 C1[C@@H](C=C[C@@H]1N)C(=O)O MB00931 [0,1,0,1,0,0|0,0,2]=4 331 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)F AB12545 [0,1,0,1,0,0|1,0,0]=3 332 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O MB00510 [0,1,0,1,0,0|1,0,0]=3 333 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)S PB10959 [0,1,0,1,0,0|1,0,0]=3 334 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O AB44957 [0,1,0,1,0,0|1,0,0]=3 335 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)F AB12544 [0,1,0,1,0,0|1,0,0]=3 336 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O AB02585 [0,1,0,1,0,0|1,0,0]=3 337 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O AB00391 [0,1,0,1,0,0|1,0,0]=3 338 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O PB26480 [0,1,0,1,0,0|1,0,0]=3 339 B9R1.35 C1[C@H](NCC1=O)C(=O)O AB31269 [0,1,0,1,0,0|1,0,1]=4 340 B9R1.35 C1[C@H](NCC1=O)C(=O)O CB11605 [0,1,0,1,0,0|1,0,1]=4 341 B9R1.35 CC(=O)C1CCN(C1)C AB77113 [0,1,0,1,0,0|1,0,0]=3 342 B9R1.35 CC(=O)N1CCC(C1)N PB28324 [0,1,0,1,0,0|2,0,0]=4 343 B9R1.35 CC(=O)N1CC[C@H](C1)O PB14774 [0,1,0,1,0,0|2,0,0]=4 344 B9R1.35 CN1CCC(C1)C(=O)O AB28180 [0,1,0,1,0,0|0,0,0]=2 345 B9R1.35 CN1CCC(C1)C(=O)O PB14668 [0,1,0,1,0,0|0,0,0]=2 346 B9R1.35 CN1CC[C@@H](C1)C(=O)O PB23010 [0,1,0,1,0,0|0,0,0]=2 347 B9R1.35 CN1CC[C@H](C1)C(=O)O PB34995 [0,1,0,1,0,0|0,0,0]=2 348 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O AB76265 [0,1,0,1,0,0|1,0,0]=3 349 B9R1.35 C[C@@H]1C[C@@H](NC1)C(=O)O AB31640 [0,1,0,1,0,0|0,0,0]=2 350 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O AB76261 [0,1,0,1,0,0|1,0,0]=3 351 B9R1.35 C[C@H]1C[C@H](NC1)C(=O)O AB42905 [0,1,0,1,0,0|0,0,0]=2 352 B9R1.40 CC1(C(=O)NCCN1)C AB09796 [0,1,0,1,0,0|2,0,0]=4 353 B9R1.40 CC1(C(=O)NCCO1)C AB71828 [0,1,0,1,0,0|2,0,0]=4 354 B9R1.40 CC1(CNCCC1=O)C PB31517 [0,1,0,1,0,0|2,0,0]=4 355 B9R1.95 C1C(CC1C(=O)O)CN PB35806 [0,1,0,1,0,0|0,0,0]=2 356 B9R1.95 C1C(CC1C(=O)O)CO PB10714 [0,1,0,1,0,0|0,0,0]=2 357 B9R1.95 COC1CC(C1)C(=O)O PB16064 [0,1,0,1,0,0|0,0,0]=2 358 B9R1.95 CO[C@H]1C[C@@H](C1)C(=O)O PB37294 [0,1,0,1,0,0|0,0,0]=2 359 B9R1.95 CO[C@H]1C[C@H](C1)C(=O)O PB16996 [0,1,0,1,0,0|0,0,0]=2 360 B9R1.112 C1CC1C[C@@H](C(=O)O)N AB16716 [0,1,0,1,0,0|1,0,0]=3 361 B9R1.163 C1C=CCC1(C(=O)O)N AB14600 [0,1,0,1,0,0|0,0,2]=4 362 B9R1.163 C1CCC(C1)(C(=O)O)O CB10167 [0,1,0,1,0,0|0,0,0]=2 363 B9R1.163 C1CNCC1(C(=O)O)F PB31935 [0,1,0,1,0,0|1,0,0]=3 364 B9R1.163 C1CNCC1(C(=O)O)N AB43590 [0,1,0,1,0,0|1,0,0]=3 365 B9R1.163 C1COCC1(C(=O)O)N PB18879 [0,1,0,1,0,0|1,0,0]=3 366 B9R1.163 CC1(CCCN1)C(=O)O AB08716 [0,1,0,1,0,0|0,0,0]=2 367 B9R1.163 CC1(CCCO1)C(=O)O CB10966 [0,1,0,1,0,0|0,0,0]=2 368 B9R1.163 CC1(CCOC1)C(=O)O PB17988 [0,1,0,1,0,0|0,0,0]=2 369 B9R1.163 C[C@@]1(CCCN1)C(=O)O PB18294 [0,1,0,1,0,0|0,0,0]=2 370 B9R1.163 C[C@]1(CCCN1)C(=O)O PB34076 [0,1,0,1,0,0|0,0,0]=2 371 B9R1.152 C1C(CC1(C(=O)O)N)F PB22992 [0,1,0,1,0,0|1,0,0]=3 372 B9R1.152 C1[C@@](C[C@@H]1F)(N)C(=O)O PB35852 [0,1,0,1,0,0|1,0,0]=3 373 B9R1.152 C1[C@@](C[C@H]1F)(N)C(=O)O PB37744 [0,1,0,1,0,0|1,0,0]=3 374 B9R1.152 CC1(CC(=C)C1)C(=O)O PB34988 [0,1,0,1,0,0|0,0,1]=3 375 B9R1.152 CC1(CC(=O)C1)C(=O)O PB12182 [0,1,0,1,0,0|0,0,1]=3 376 B9R1.152 C[C@]1(C[C@@H](C1)N)C(=O)O PB35318 [0,1,0,1,0,0|0,0,0]=2 377 B9R1.152 C[C@]1(C[C@H](C1)N)C(=O)O PB25823 [0,1,0,1,0,0|0,0,0]=2 378 B9R1.19 C1CCC(C1)S(=O)(=O)Cl AB20732 [0,1,0,1,0,0|1,0,1]=4 379 B9R1.119 CCC1(COC1)C(=O)O PB23960 [0,1,0,1,0,0|1,0,0]=3 380 B9R1.119 COC1(CNC1)C(=O)O PB38966 [0,1,0,1,0,0|1,0,0]=3 381 B9R1.164 C1C(CC1(F)F)C(=O)O PB29564 [0,1,0,1,0,0|1,0,0]=3 382 B9R1.164 CC1(CC(=C1)C(=O)O)C PB18244 [0,1,0,1,0,0|0,0,2]=4 383 B9R1.164 CC1(CC(C1)C(=O)O)C PB14266 [0,1,0,1,0,0|0,0,0]=2 384 B9R1.164 CC1(CC(C1)C(=O)O)O PB15169 [0,1,0,1,0,0|0,0,0]=2 385 B9R1.164 C[C@]1(C[C@@H](C1)C(=O)O)O PB36576 [0,1,0,1,0,0|0,0,0]=2 386 B9R1.164 C[C@]1(C[C@H](C1)C(=O)O)O PB35306 [0,1,0,1,0,0|0,0,0]=2 387 B9R2.19 C1C2CNC(=O)C1N2 PB31914 [0,0,0,2,0,0|2,0,0]=4 388 B9R2.143 C1CC12CC2C(=O)O PB20104 [0,0,0,2,0,0|0,0,0]=2