0 B7R0.6 CC(=O)CNC(=O)C AB02398 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.6 CC(=O)NCC(=O)O AB00351 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.6 CC(=O)\C=C\N(C)C AB03818 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.4 C#CCCC(=O)O CB10019 [1,0,0,0,0,0|0,0,2]=3 4 B6R0.4 C=C(CCCCl)I MB13670 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.4 CN(C)CCCBr AB52731 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.23 CC(CC(=O)C)C(=O)O PB27433 [0,1,0,0,0,0|1,0,1]=3 7 B8R0.29 CN(C)CCS(=O)(=O)Cl AB69796 [0,1,0,0,0,0|2,0,1]=4 8 B8R0.29 CN(C)CCS(=O)(=O)O AB76836 [0,1,0,0,0,0|2,0,0]=3 9 B8R1.3 C1CC(=O)CCC1N AB26267 [0,0,0,1,0,0|2,0,0]=3 10 B8R1.3 C1CC(=O)NCC1N PB22229 [0,0,0,1,0,0|2,0,0]=3 11 B8R1.3 C1[C@@H](CC[C@@H](C1)O)N AB30937 [0,0,0,1,0,0|2,0,1]=4 12 B8R1.3 C1[C@@H](CC[C@@H](C1)O)O PB27420 [0,0,0,1,0,0|2,0,1]=4 13 B8R1.3 C1[C@@H](CC[C@H](C1)O)N AB02731 [0,0,0,1,0,0|2,0,1]=4 14 B8R1.3 C1[C@@H](CC[C@H](C1)O)O AB02551 [0,0,0,1,0,0|2,0,1]=4 15 B8R1.3 CC1CNC(=O)CN1 AB37204 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.3 CC1CNC(=O)CO1 AB71787 [0,0,0,1,0,0|2,0,0]=3 17 B8R1.3 CC1CNC(CO1)C AB55657 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.3 CN1CCC(=CC1)I AB70135 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.3 CN1CCC(CC1)O PB18398 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.3 C[C@@H]1CNC(=O)CN1 AB37209 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.3 C[C@H]1CNC(=O)CN1 AB37206 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.23 C1C(CC1=O)C(=O)O PB20916 [0,0,0,1,0,0|1,0,1]=3 23 B8R1.23 C1C(CC1Cl)C(=O)O PB13057 [0,0,0,1,0,0|1,0,0]=2 24 B8R1.23 C1C(CC1F)C(=O)O PB20399 [0,0,0,1,0,0|1,0,0]=2 25 B8R1.23 C1C(CC1O)C(=O)O PB26416 [0,0,0,1,0,0|1,0,0]=2 26 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)N PB12385 [0,0,0,1,0,0|1,0,0]=2 27 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)N PB25257 [0,0,0,1,0,0|1,0,0]=2 28 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)O PB34748 [0,0,0,1,0,0|1,0,0]=2 29 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N PB21941 [0,0,0,1,0,0|1,0,0]=2 30 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N PB31884 [0,0,0,1,0,0|1,0,0]=2 31 B8R1.23 C1[C@@H](NC1=O)C(=O)O PB27000 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.23 C1[C@H](NC1=O)C(=O)O PB21715 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.23 C=C1CC(C1)C(=O)O PB25975 [0,0,0,1,0,0|0,0,2]=3 34 B8R1.23 CC(=O)N1CC(C1)N PB34955 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.23 CC(=O)N1CC(C1)O PB10405 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.23 CC(C)N1CC(C1)O PB29030 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.23 CC1CC(C1)C(=O)O PB21154 [0,0,0,1,0,0|0,0,0]=1 38 B8R1.23 CN1CC(C1)C(=O)O PB25405 [0,0,0,1,0,0|1,0,0]=2 39 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O PB24101 [0,0,0,1,0,0|0,0,0]=1 40 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O PB24098 [0,0,0,1,0,0|0,0,0]=1 41 B8R1.51 C1CC(CC1=O)(F)F AB71425 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.51 C1CS(=O)(=O)CC1N PB12042 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.51 CC1(CCC(C1)N)O PB38754 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.51 CC1(COC(=O)N1)C PB29297 [0,0,0,1,0,0|2,0,0]=3 45 B8R1.77 C1C(C1(F)F)C(=O)O AB20620 [0,0,0,1,0,0|2,0,0]=3 46 B8R1.77 CC(=O)C1CC1(F)F AB85494 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.77 CC1(CC1C(=O)O)C AB21127 [0,0,0,1,0,0|0,0,0]=1 48 B6R0.2 B(CC(C)C)(O)O AB03722 [0,0,0,0,1,0|1,0,1]=3 49 B6R0.2 CC(C)CC(=N)N AB60903 [0,0,0,0,1,0|2,0,0]=3 50 B6R0.2 CC(C)CC(=S)N AB52630 [0,0,0,0,1,0|1,1,0]=3 51 B6R0.2 CC(C)O[N+](=O)[O-] AB00827 [0,0,0,0,1,0|2,0,1]=4 52 B8R0.28 CC(=NOCC(=O)O)C AB13789 [0,0,0,0,0,1|1,0,1]=3 53 B5R0.1 B(CCC)(O)O AB08045 [2,0,0,0,0,0|1,0,1]=4 54 B5R0.1 C#CCC(=O)O AB11673 [2,0,0,0,0,0|0,0,2]=4 55 B5R0.1 C(CO)C(F)F AB76811 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.1 CC(C)N=C=O AB00193 [2,0,0,0,0,0|1,0,1]=4 57 B7R0.2 CCC(CC(=O)O)N AB01525 [1,1,0,0,0,0|0,0,0]=2 58 B7R0.3 COC(=O)CCC=C AB16906 [1,1,0,0,0,0|0,0,2]=4 59 B7R0.3 COC(=O)CCCO AB65249 [1,1,0,0,0,0|1,0,0]=3 60 B7R0.4 B(CCCCC)(O)O AB08098 [1,1,0,0,0,0|1,0,1]=4 61 B7R0.4 CC(C)CCN=C=O AB54602 [1,1,0,0,0,0|0,0,1]=3 62 B7R0.4 CCCCO[N+](=O)[O-] AB01790 [1,1,0,0,0,0|1,0,1]=4 63 B7R0.4 CN(C)CCN=C=O AB74241 [1,1,0,0,0,0|1,0,1]=4 64 B7R0.5 CC(C)C(CCO)N AB31007 [1,1,0,0,0,0|0,0,1]=3 65 B7R0.5 CCC[C@@H](C(=O)O)N AB02603 [1,1,0,0,0,0|0,0,0]=2 66 B7R0.5 CCC[C@H](C(=O)O)N AB00929 [1,1,0,0,0,0|0,0,0]=2 67 B7R0.5 CNC[C@@H](C(=O)O)N CB10181 [1,1,0,0,0,0|1,0,0]=3 68 B7R0.5 CNC[C@@H](C(=O)O)N CB11070 [1,1,0,0,0,0|1,0,0]=3 69 B7R0.8 CC(C)(C)CN=C=O AB55247 [1,1,0,0,0,0|1,0,1]=4 70 B7R0.9 B(CC(C)(C)C)(O)O AB51406 [0,1,0,0,1,0|1,0,1]=4 71 B7R0.9 C(C(=O)O)C(F)(F)F AB04100 [0,1,0,0,1,0|2,0,0]=4 72 B7R0.9 CC(C)(C)OC(=O)N PB11584 [0,1,0,0,1,0|2,0,0]=4 73 B7R0.9 CC(C)CS(=O)(=O)Cl AB32247 [0,1,0,0,1,0|1,0,1]=4 74 B7R0.16 CC(C)[C@@H](C(=O)O)N AB02570 [0,1,0,0,1,0|0,0,0]=2 75 B7R0.16 CC(C)[C@H](C(=O)O)N AB02568 [0,1,0,0,1,0|0,0,0]=2 76 B9R0.7 CC(C)CC[C@@H](C(=O)O)N AB15913 [0,1,0,0,0,1|0,0,0]=2 77 B9R0.7 CC(C)CC[C@H](C(=O)O)N AB29542 [0,1,0,0,0,1|0,0,0]=2 78 B9R0.42 CNC(=O)C[C@H](C(=O)O)N AB18413 [0,2,0,0,0,0|1,0,1]=4 79 B9R0.43 CC(=O)NCC(OC)OC AB63165 [0,2,0,0,0,0|2,0,0]=4 80 B9R0.10 C([C@@H](C(F)(F)F)N)C(=O)O AB68464 [0,2,0,0,0,0|2,0,0]=4 81 B9R0.10 C([C@H](C(F)(F)F)N)C(=O)O AB68465 [0,2,0,0,0,0|2,0,0]=4 82 B9R0.11 CC(C)C[C@@](C)(C(=O)O)N AB09832 [0,2,0,0,0,0|0,0,0]=2 83 B9R0.11 CC(C)C[C@](C)(C(=O)O)N AB48913 [0,2,0,0,0,0|0,0,0]=2 84 B9R0.39 CC(C)CC(CN)C(=O)O AB35728 [0,2,0,0,0,0|0,0,0]=2 85 B9R0.39 CC(C)C[C@@H](CN)C(=O)O AB35730 [0,2,0,0,0,0|0,0,0]=2 86 B9R0.39 CC(C)C[C@H](CN)C(=O)O AB35733 [0,2,0,0,0,0|0,0,0]=2 87 B9R0.57 C([C@@H](C(=O)O)N)C(F)(F)F AB71803 [0,2,0,0,0,0|2,0,0]=4 88 B9R0.57 C([C@H](C(=O)O)N)C(F)(F)F AB68601 [0,2,0,0,0,0|2,0,0]=4 89 B9R0.57 CC(C)(C)C[C@@H](C(=O)O)N AB02684 [0,2,0,0,0,0|0,0,0]=2 90 B9R0.57 CC(C)(C)C[C@H](C(=O)O)N AB01734 [0,2,0,0,0,0|0,0,0]=2 91 B7R1.2 C1C(CNC1=O)N PB17844 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.2 C1CC(CC1N)O PB13684 [1,0,0,1,0,0|1,0,1]=4 93 B7R1.2 C1C[C@H](C[C@@H]1N)O PB16975 [1,0,0,1,0,0|1,0,1]=4 94 B7R1.2 C1C[C@H](C[C@H]1N)O MB10639 [1,0,0,1,0,0|1,0,1]=4 95 B7R1.2 C1C[C@H](C[C@H]1N)O PB11774 [1,0,0,1,0,0|1,0,1]=4 96 B7R1.2 C1[C@@H](CNC1=O)O PB23182 [1,0,0,1,0,0|2,0,0]=4 97 B7R1.2 C1[C@H](CNC1=O)O AB05836 [1,0,0,1,0,0|2,0,0]=4 98 B7R1.2 C1[C@H](CNC1=O)S PB29198 [1,0,0,1,0,0|2,0,0]=4 99 B7R1.2 CN1CCC(=O)C1 PB26542 [1,0,0,1,0,0|1,0,0]=3 100 B7R1.2 CN1CCC(C1)O PB32059 [1,0,0,1,0,0|1,0,1]=4 101 B7R1.2 CN1CC[C@H](C1)O PB17320 [1,0,0,1,0,0|1,0,1]=4 102 B7R1.3 C1CC(=O)CNC1 AB27650 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.3 C1CC(=O)CNC1 PB26241 [1,0,0,1,0,0|2,0,0]=4 104 B7R1.3 C1CC(=O)COC1 PB27461 [1,0,0,1,0,0|2,0,0]=4 105 B7R1.3 C1CC(=O)CSC1 PB28980 [1,0,0,1,0,0|2,0,0]=4 106 B7R1.3 C1CC(COC1)Br MB04535 [1,0,0,1,0,0|1,0,1]=4 107 B7R1.3 C1CC(COC1)N PB30901 [1,0,0,1,0,0|1,0,1]=4 108 B7R1.3 C1CC(COC1)O PB32182 [1,0,0,1,0,0|1,0,1]=4 109 B7R1.3 C1CCNC(C1)O MB03551 [1,0,0,1,0,0|1,0,1]=4 110 B7R1.3 C1CCO[C@@H](C1)N MB06981 [1,0,0,1,0,0|1,0,1]=4 111 B7R1.3 C1CCO[C@H](C1)N MB06978 [1,0,0,1,0,0|1,0,1]=4 112 B7R1.3 C1CNC(=O)CN1 PB23229 [1,0,0,1,0,0|2,0,0]=4 113 B7R1.3 C1CNCCC1=O PB32095 [1,0,0,1,0,0|2,0,0]=4 114 B7R1.3 C1COC(=O)CN1 AB71646 [1,0,0,1,0,0|1,0,0]=3 115 B7R1.3 C1COCC(=O)N1 PB29100 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.3 C1COCCC1=O PB24536 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.3 C1CSCCC1=O PB25896 [1,0,0,1,0,0|2,0,0]=4 118 B7R1.3 CC1CCCNC1 AB00557 [1,0,0,1,0,0|1,0,1]=4 119 B7R1.3 CC1COCCN1 AB49614 [1,0,0,1,0,0|1,0,1]=4 120 B7R1.3 C[C@@H]1COCCN1 AB62216 [1,0,0,1,0,0|1,0,1]=4 121 B7R1.3 C[C@H]1COCCN1 AB16412 [1,0,0,1,0,0|1,0,1]=4 122 B7R1.7 C1CC1CN=C=O AB71485 [1,0,0,1,0,0|1,0,1]=4 123 B7R1.10 C1C(CC1=O)CBr PB27115 [1,0,0,1,0,0|2,0,0]=4 124 B7R1.10 C1C(CC1=O)CCl PB28331 [1,0,0,1,0,0|2,0,0]=4 125 B7R1.10 C1C(CC1=O)CN PB21511 [1,0,0,1,0,0|2,0,0]=4 126 B7R1.10 C1C(CC1=O)CO PB17805 [1,0,0,1,0,0|2,0,0]=4 127 B7R1.10 C1C(CC1Cl)CO PB34804 [1,0,0,1,0,0|1,0,1]=4 128 B7R1.10 C1C(CC1N)CO PB17688 [1,0,0,1,0,0|1,0,1]=4 129 B7R1.10 C1C(CC1N)CO PB21400 [1,0,0,1,0,0|1,0,1]=4 130 B7R1.10 C1[C@@H](C[C@@H]1CO)N PB19477 [1,0,0,1,0,0|1,0,1]=4 131 B7R1.10 C1[C@@H](C[C@@H]1CO)N PB27028 [1,0,0,1,0,0|1,0,1]=4 132 B7R1.10 C1[C@@H](C[C@H]1CO)N PB18381 [1,0,0,1,0,0|1,0,1]=4 133 B7R1.10 C1[C@@H](C[C@H]1CO)N PB34902 [1,0,0,1,0,0|1,0,1]=4 134 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O PB33460 [1,0,0,1,0,0|1,0,0]=3 135 B7R1.12 C[C@@H]1C[C@H]1C(=O)Cl CB11891 [1,0,0,1,0,0|1,0,0]=3 136 B7R1.14 CC1(CCCN1)C PB25045 [1,0,0,1,0,0|1,0,1]=4 137 B7R1.14 CC1(CCNC1)C PB14755 [1,0,0,1,0,0|2,0,0]=4 138 B7R1.18 B(C1CCC1)(O)O AB29820 [1,0,0,1,0,0|1,0,1]=4 139 B7R1.18 C1C(CN1)C(=O)N PB14800 [1,0,0,1,0,0|2,0,0]=4 140 B7R1.18 C1C(CN1)C(=O)N PB22567 [1,0,0,1,0,0|2,0,0]=4 141 B7R1.18 C1C(CN1)C(=O)O PB12129 [1,0,0,1,0,0|1,0,0]=3 142 B7R1.18 C1C(CO1)C(=O)O PB18896 [1,0,0,1,0,0|1,0,0]=3 143 B7R1.18 C1CC(C1)C(=N)N PB21224 [1,0,0,1,0,0|2,0,0]=4 144 B7R1.18 C1CC(C1)[N+](=O)[O-] CB11721 [1,0,0,1,0,0|1,0,1]=4 145 B7R1.18 C1CN(C1)C(=O)O AB16585 [1,0,0,1,0,0|1,0,0]=3 146 B7R1.18 C1CNC1C(=O)N MB03936 [1,0,0,1,0,0|2,0,0]=4 147 B7R1.18 C1CNC1C(=O)O PB12060 [1,0,0,1,0,0|1,0,0]=3 148 B7R1.18 C1CN[C@H]1C(=O)O PB29123 [1,0,0,1,0,0|1,0,0]=3 149 B7R1.18 C1COC1C(=O)O PB26385 [1,0,0,1,0,0|1,0,0]=3 150 B7R1.18 CC(C1CCC1)O CB10183 [1,0,0,1,0,0|1,0,1]=4 151 B7R1.20 C1CC1CC(=N)N AB49225 [1,0,0,1,0,0|2,0,0]=4 152 B7R1.20 C1CC1CC(=O)O PB21648 [1,0,0,1,0,0|0,0,0]=2 153 B7R1.23 C1C(C1(F)F)C=O AB68663 [1,0,0,1,0,0|2,0,0]=4 154 B9R1.35 C1CC(=O)CC1C(=O)O PB17215 [0,0,0,1,0,1|1,0,1]=4 155 B9R1.35 C1CC(=O)C[C@@H]1C(=O)O PB28806 [0,0,0,1,0,1|1,0,1]=4 156 B9R1.35 C1CC(=O)C[C@H]1C(=O)O PB15404 [0,0,0,1,0,1|1,0,1]=4 157 B9R1.35 C1CC(CC1C(=O)O)N PB32983 [0,0,0,1,0,1|1,0,0]=3 158 B9R1.35 C1C[C@@H](C[C@@H]1C(=O)O)N MB00932 [0,0,0,1,0,1|1,0,0]=3 159 B9R1.35 C1C[C@H](C[C@@H]1C(=O)O)N PB39081 [0,0,0,1,0,1|1,0,0]=3 160 B9R1.35 C1C[C@H](C[C@H]1C(=O)O)N PB37995 [0,0,0,1,0,1|1,0,0]=3 161 B9R1.35 C1[C@@H](C=C[C@@H]1N)C(=O)O MB00931 [0,0,0,1,0,1|1,0,1]=4 162 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)F AB12545 [0,0,0,1,0,1|1,0,0]=3 163 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O MB00510 [0,0,0,1,0,1|1,0,0]=3 164 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)S PB10959 [0,0,0,1,0,1|1,0,0]=3 165 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O AB44957 [0,0,0,1,0,1|1,0,0]=3 166 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)F AB12544 [0,0,0,1,0,1|1,0,0]=3 167 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O AB02585 [0,0,0,1,0,1|1,0,0]=3 168 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O AB00391 [0,0,0,1,0,1|1,0,0]=3 169 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O PB26480 [0,0,0,1,0,1|1,0,0]=3 170 B9R1.35 C1[C@H](NCC1=O)C(=O)O AB31269 [0,0,0,1,0,1|1,0,1]=4 171 B9R1.35 C1[C@H](NCC1=O)C(=O)O CB11605 [0,0,0,1,0,1|1,0,1]=4 172 B9R1.35 CC(=O)C1CCN(C1)C AB77113 [0,0,0,1,0,1|2,0,0]=4 173 B9R1.35 CC(=O)N1CCC(C1)N PB28324 [0,0,0,1,0,1|2,0,0]=4 174 B9R1.35 CC(=O)N1CC[C@H](C1)O PB14774 [0,0,0,1,0,1|2,0,0]=4 175 B9R1.35 CN1CCC(C1)C(=O)O AB28180 [0,0,0,1,0,1|1,0,0]=3 176 B9R1.35 CN1CCC(C1)C(=O)O PB14668 [0,0,0,1,0,1|1,0,0]=3 177 B9R1.35 CN1CC[C@@H](C1)C(=O)O PB23010 [0,0,0,1,0,1|1,0,0]=3 178 B9R1.35 CN1CC[C@H](C1)C(=O)O PB34995 [0,0,0,1,0,1|1,0,0]=3 179 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O AB76265 [0,0,0,1,0,1|1,0,0]=3 180 B9R1.35 C[C@@H]1C[C@@H](NC1)C(=O)O AB31640 [0,0,0,1,0,1|0,0,0]=2 181 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O AB76261 [0,0,0,1,0,1|1,0,0]=3 182 B9R1.35 C[C@H]1C[C@H](NC1)C(=O)O AB42905 [0,0,0,1,0,1|0,0,0]=2 183 B9R1.49 CN1CCCC(=O)CC1 AB42491 [0,0,0,1,0,1|2,0,0]=4 184 B9R1.53 C1C(CC1N)CC(=O)O PB36872 [0,0,0,1,0,1|1,0,0]=3 185 B9R1.53 C1[C@@H](C[C@@H]1CC(=O)O)N PB38036 [0,0,0,1,0,1|1,0,0]=3 186 B9R1.53 C1[C@@H](C[C@H]1CC(=O)O)N PB38407 [0,0,0,1,0,1|1,0,0]=3 187 B9R1.53 CC(=O)NC1CC(C1)N PB34690 [0,0,0,1,0,1|2,0,0]=4 188 B9R1.170 C1C(C1(F)F)CC(=O)O AB76278 [0,0,0,1,0,1|2,0,0]=4 189 B9R1.1 C1CC(=O)CCC1C=O AB21200 [0,1,0,1,0,0|1,0,1]=4 190 B9R1.1 C1CC(CCC1CO)O CB11469 [0,1,0,1,0,0|1,0,1]=4 191 B9R1.1 CN[C@H]1CC[C@@H](CC1)O PB13112 [0,1,0,1,0,0|1,0,1]=4 192 B9R1.1 CN[C@H]1CC[C@H](CC1)O PB22804 [0,1,0,1,0,0|1,0,1]=4 193 B9R1.10 C1CC(CCC1=O)(F)F PB10513 [0,1,0,1,0,0|2,0,0]=4 194 B9R1.10 C1CC(CNC1=O)(F)F PB13829 [0,1,0,1,0,0|2,0,0]=4 195 B9R1.10 CC1(OCC(=O)CO1)C MB01392 [0,1,0,1,0,0|1,0,0]=3 196 B9R1.10 C[C@]1(CC[C@@H](CC1)O)N PB36051 [0,1,0,1,0,0|1,0,1]=4 197 B9R1.10 C[C@]1(CC[C@H](CC1)O)N PB37705 [0,1,0,1,0,0|1,0,1]=4 198 B9R1.69 CC1CN(CCC1=O)C AB03409 [0,1,0,1,0,0|2,0,0]=4 199 B9R1.69 CN1CC(CCC1=O)N PB13136 [0,1,0,1,0,0|2,0,0]=4 200 B9R1.69 C[C@@H]1CNC(=O)[C@@H](N1)C AB72319 [0,1,0,1,0,0|2,0,0]=4 201 B9R1.69 C[C@@H]1CNC(=O)[C@H](N1)C AB72313 [0,1,0,1,0,0|2,0,0]=4 202 B9R1.69 C[C@H]1CNC(=O)[C@@H](N1)C AB72316 [0,1,0,1,0,0|2,0,0]=4 203 B9R1.69 C[C@H]1CNC(=O)[C@H](N1)C AB72314 [0,1,0,1,0,0|2,0,0]=4 204 B9R1.82 COC(=O)C1CC(=C)C1 PB23217 [0,1,0,1,0,0|0,0,2]=4 205 B9R1.82 COC(=O)C1CC(=O)C1 PB32215 [0,1,0,1,0,0|1,0,1]=4 206 B9R1.82 COC(=O)C1CC(C1)Cl PB19451 [0,1,0,1,0,0|1,0,0]=3 207 B9R1.82 COC(=O)C1CC(C1)O PB33903 [0,1,0,1,0,0|1,0,0]=3 208 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)N PB33409 [0,1,0,1,0,0|1,0,0]=3 209 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)O PB11695 [0,1,0,1,0,0|1,0,0]=3 210 B9R1.82 COC(=O)[C@H]1C[C@H](C1)N PB13348 [0,1,0,1,0,0|1,0,0]=3 211 B9R1.82 COC(=O)[C@H]1C[C@H](C1)O PB16819 [0,1,0,1,0,0|1,0,0]=3 212 B9R1.95 C1C(CC1C(=O)O)CN PB35806 [0,1,0,1,0,0|0,0,0]=2 213 B9R1.95 C1C(CC1C(=O)O)CO PB10714 [0,1,0,1,0,0|0,0,0]=2 214 B9R1.95 COC1CC(C1)C(=O)O PB16064 [0,1,0,1,0,0|0,0,0]=2 215 B9R1.95 CO[C@H]1C[C@@H](C1)C(=O)O PB37294 [0,1,0,1,0,0|0,0,0]=2 216 B9R1.95 CO[C@H]1C[C@H](C1)C(=O)O PB16996 [0,1,0,1,0,0|0,0,0]=2 217 B9R1.133 C1CS(=O)(=O)CC1CN PB18570 [0,1,0,1,0,0|1,0,1]=4 218 B9R1.112 C1CC1C[C@@H](C(=O)O)N AB16716 [0,1,0,1,0,0|0,0,0]=2 219 B9R1.137 C1CC1C(CC(=O)O)N AB10167 [0,1,0,1,0,0|0,0,0]=2 220 B9R1.137 C1CC1[C@@H](CC(=O)O)N AB36095 [0,1,0,1,0,0|0,0,0]=2 221 B9R1.137 C1CC1[C@H](CC(=O)O)N AB23543 [0,1,0,1,0,0|0,0,0]=2 222 B9R1.152 C1C(CC1(C(=O)O)N)F PB22992 [0,1,0,1,0,0|1,0,0]=3 223 B9R1.152 C1[C@@](C[C@@H]1F)(N)C(=O)O PB35852 [0,1,0,1,0,0|1,0,0]=3 224 B9R1.152 C1[C@@](C[C@H]1F)(N)C(=O)O PB37744 [0,1,0,1,0,0|1,0,0]=3 225 B9R1.152 CC1(CC(=C)C1)C(=O)O PB34988 [0,1,0,1,0,0|0,0,2]=4 226 B9R1.152 CC1(CC(=O)C1)C(=O)O PB12182 [0,1,0,1,0,0|1,0,1]=4 227 B9R1.152 C[C@]1(C[C@@H](C1)N)C(=O)O PB35318 [0,1,0,1,0,0|1,0,0]=3 228 B9R1.152 C[C@]1(C[C@H](C1)N)C(=O)O PB25823 [0,1,0,1,0,0|1,0,0]=3 229 B9R1.164 C1C(CC1(F)F)C(=O)O PB29564 [0,1,0,1,0,0|1,0,0]=3 230 B9R1.164 CC1(CC(=C1)C(=O)O)C PB18244 [0,1,0,1,0,0|0,0,1]=3 231 B9R1.164 CC1(CC(C1)C(=O)O)C PB14266 [0,1,0,1,0,0|0,0,0]=2 232 B9R1.164 CC1(CC(C1)C(=O)O)O PB15169 [0,1,0,1,0,0|0,0,0]=2 233 B9R1.164 C[C@]1(C[C@@H](C1)C(=O)O)O PB36576 [0,1,0,1,0,0|0,0,0]=2 234 B9R1.164 C[C@]1(C[C@H](C1)C(=O)O)O PB35306 [0,1,0,1,0,0|0,0,0]=2 235 B9R1.115 C1CC1CCS(=O)(=O)Cl AB69797 [0,1,0,1,0,0|1,0,1]=4 236 B9R2.19 C1C2CNC(=O)C1N2 PB31914 [0,0,0,2,0,0|2,0,0]=4 237 B9R2.143 C1CC12CC2C(=O)O PB20104 [0,0,0,2,0,0|0,0,0]=2 238 B5R0.5 B(C(C)C)(O)O AB08847 [0,0,0,0,2,0|1,0,1]=4 239 B5R0.5 CC(C(=O)N)N AB43014 [0,0,0,0,2,0|2,0,0]=4 240 B5R0.5 CC(C)C(=N)N AB07702 [0,0,0,0,2,0|2,0,0]=4 241 B5R0.5 CC(C)C(=S)N AB32169 [0,0,0,0,2,0|1,1,0]=4 242 B5R0.5 C[C@@H](C(=O)O)Br AB03774 [0,0,0,0,2,0|1,0,0]=3 243 B5R0.5 C[C@@H](C(=O)O)N AB02601 [0,0,0,0,2,0|1,0,0]=3