0 B8R0.7 B(CCCCCC)(O)O AB08083 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.1 CNCCCCC=C CB11323 [1,0,0,0,0,0|1,0,1]=3 2 B7R0.4 B(CCCCC)(O)O AB08098 [1,0,0,0,0,0|2,0,1]=4 3 B7R0.4 CCCCO[N+](=O)[O-] AB01790 [1,0,0,0,0,0|3,0,0]=4 4 B9R0.2 B(CCCCCCC)(O)O AB23085 [0,1,0,0,0,0|2,0,1]=4 5 B9R0.4 CCCCC(CC(=O)O)N AB08231 [0,1,0,0,0,0|1,0,0]=2 6 B9R1.2 C1CC(NC(=O)C1)CO AB63547 [0,0,0,1,0,0|2,0,0]=3 7 B9R1.2 C1CNC(=O)CC1CN PB30164 [0,0,0,1,0,0|2,0,0]=3 8 B9R1.2 C1CNC(=O)CC1CO PB18227 [0,0,0,1,0,0|2,0,0]=3 9 B9R1.2 CCC1CCCC(=O)N1 CB11733 [0,0,0,1,0,0|1,0,0]=2 10 B9R1.2 CCC1COCC(=O)N1 AB56433 [0,0,0,1,0,0|2,0,0]=3 11 B9R1.2 CC[C@@H]1CN(CCN1)C AB70353 [0,0,0,1,0,0|3,0,0]=4 12 B9R1.2 CN1CCCC(C1)CN PB34157 [0,0,0,1,0,0|3,0,0]=4 13 B9R1.2 CN1CCC[C@@H](C1)CN PB16944 [0,0,0,1,0,0|3,0,0]=4 14 B9R1.2 CN1CCC[C@H](C1)CN PB11507 [0,0,0,1,0,0|3,0,0]=4 15 B9R1.6 B(C1CCCCC1)(O)O AB08478 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.6 C1CC(CNC1)C(=O)N PB19847 [0,0,0,1,0,0|2,0,0]=3 17 B9R1.6 C1CC(COC1)C(=O)O PB24847 [0,0,0,1,0,0|2,0,0]=3 18 B9R1.6 C1CC(CSC1)C(=O)O PB33209 [0,0,0,1,0,0|2,0,0]=3 19 B9R1.6 C1CCNC(C1)C(=O)N AB21908 [0,0,0,1,0,0|2,0,0]=3 20 B9R1.6 C1CCN[C@@H](C1)C(=O)O AB00554 [0,0,0,1,0,0|2,0,0]=3 21 B9R1.6 C1CCN[C@H](C1)C(=O)O AB07110 [0,0,0,1,0,0|2,0,0]=3 22 B9R1.6 C1CNC(CN1)C(=O)O AB01992 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.6 C1CNCCC1C(=N)N AB22053 [0,0,0,1,0,0|3,0,0]=4 24 B9R1.6 C1CNCCC1C(=O)N PB25917 [0,0,0,1,0,0|2,0,0]=3 25 B9R1.6 C1CNCCC1C(=O)O AB00566 [0,0,0,1,0,0|2,0,0]=3 26 B9R1.6 C1CN[C@@H](CN1)C(=O)O AB08722 [0,0,0,1,0,0|3,0,0]=4 27 B9R1.6 C1CN[C@@H](CN1)C(=O)O PB24733 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.6 C1CN[C@H](CN1)C(=O)O PB21831 [0,0,0,1,0,0|3,0,0]=4 29 B9R1.6 C1COC(CN1)C(=O)O MB02947 [0,0,0,1,0,0|3,0,0]=4 30 B9R1.6 C1COCC(N1)C(=O)O PB12912 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.6 C1COCCC1C(=N)N PB32880 [0,0,0,1,0,0|3,0,0]=4 32 B9R1.6 C1COCCC1C(=O)O PB14093 [0,0,0,1,0,0|2,0,0]=3 33 B9R1.6 C1COC[C@@H](N1)C(=O)O PB23346 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.6 C1COC[C@H](N1)C(=O)O PB30767 [0,0,0,1,0,0|3,0,0]=4 35 B9R1.6 C1CO[C@@H](CN1)C(=O)O MB08517 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.6 C1CO[C@H](CN1)C(=O)O MB09173 [0,0,0,1,0,0|3,0,0]=4 37 B9R1.6 C1CSCCC1C(=O)O PB25232 [0,0,0,1,0,0|2,0,0]=3 38 B9R1.6 C1CSC[C@@H](N1)C(=O)O AB19234 [0,0,0,1,0,0|3,0,0]=4 39 B9R1.6 C1CSC[C@H](N1)C(=O)O AB08732 [0,0,0,1,0,0|3,0,0]=4 40 B9R1.6 C1C[C@@H](CC=C1)C(=O)O PB18863 [0,0,0,1,0,0|1,0,2]=4 41 B9R1.6 C1C[C@@H](CNC1)C(=O)N PB11551 [0,0,0,1,0,0|2,0,0]=3 42 B9R1.6 C1C[C@@H](CNC1)C(=O)N PB31846 [0,0,0,1,0,0|2,0,0]=3 43 B9R1.6 C1C[C@@H](CNC1)C(=O)O PB29158 [0,0,0,1,0,0|2,0,0]=3 44 B9R1.6 C1C[C@H](CC=C1)C(=O)O PB29511 [0,0,0,1,0,0|1,0,2]=4 45 B9R1.6 C1C[C@H](CNC1)C(=O)N PB24496 [0,0,0,1,0,0|2,0,0]=3 46 B9R1.6 C1C[C@H](CNC1)C(=O)N PB31844 [0,0,0,1,0,0|2,0,0]=3 47 B9R1.6 C1C[C@H](CNC1)C(=O)O PB30681 [0,0,0,1,0,0|2,0,0]=3 48 B9R1.6 CC(C)C1CCCCN1 AB12062 [0,0,0,1,0,0|2,0,1]=4 49 B9R1.7 CCOC1CCC(=O)N1 AB15019 [0,0,0,1,0,0|2,0,0]=3 50 B9R1.7 CN1CCC(C1)CCN PB18962 [0,0,0,1,0,0|3,0,0]=4 51 B9R1.7 CN1CCC(C1)CCO PB28645 [0,0,0,1,0,0|3,0,0]=4 52 B9R1.13 C1CNCC1CC(=O)O PB14239 [0,0,0,1,0,0|2,0,0]=3 53 B9R1.13 C1CNC[C@@H]1CC(=O)O PB34430 [0,0,0,1,0,0|2,0,0]=3 54 B9R1.13 C1CNC[C@H]1CC(=O)O PB22689 [0,0,0,1,0,0|2,0,0]=3 55 B9R1.13 C1COCC1CC(=O)O CB10890 [0,0,0,1,0,0|2,0,0]=3 56 B9R1.13 C1C[C@@H](NC1)CC(=O)O PB32966 [0,0,0,1,0,0|2,0,0]=3 57 B9R1.13 C1C[C@H](NC1)CC(=O)O PB32289 [0,0,0,1,0,0|2,0,0]=3 58 B9R1.13 CC(=O)N[C@@H]1CCNC1 PB10078 [0,0,0,1,0,0|2,0,0]=3 59 B9R1.13 CC(C)C[C@@H]1CCNC1 AB66512 [0,0,0,1,0,0|2,0,1]=4 60 B9R1.13 CC(C)C[C@H]1CCNC1 AB66515 [0,0,0,1,0,0|2,0,1]=4 61 B9R1.13 CN(C)C[C@@H]1CCCN1 PB28130 [0,0,0,1,0,0|3,0,0]=4 62 B9R1.13 CN(C)C[C@H]1CCCN1 PB19677 [0,0,0,1,0,0|3,0,0]=4 63 B9R1.24 C[C@@]1(CCC[C@H]1CO)N AB42780 [0,0,0,1,0,0|2,0,1]=4 64 B9R1.24 C[C@@]1(CCC[C@H]1CO)N AB49850 [0,0,0,1,0,0|2,0,1]=4 65 B9R1.41 C1CN[C@@H]([C@H]1O)C(=O)O PB33863 [0,0,0,1,0,0|3,0,0]=4 66 B9R1.41 C1C[C@@H]([C@@H](C1)N)C(=O)O AB03887 [0,0,0,1,0,0|2,0,0]=3 67 B9R1.41 C1C[C@@H]([C@H](C1)N)C(=O)O MB07569 [0,0,0,1,0,0|2,0,0]=3 68 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O AB22519 [0,0,0,1,0,0|2,0,0]=3 69 B9R1.41 C[C@@H]1CCN[C@@H]1C(=O)O AB76257 [0,0,0,1,0,0|2,0,0]=3 70 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O AB03831 [0,0,0,1,0,0|2,0,0]=3 71 B9R1.48 CC1CC(=O)NCCN1 PB15399 [0,0,0,1,0,0|2,0,0]=3 72 B9R1.48 CN1CCCCC(C1)N MB07245 [0,0,0,1,0,0|2,0,1]=4 73 B9R1.148 CC1(CCCNCC1)O PB34852 [0,0,0,1,0,0|1,0,2]=4 74 B6R0.6 CCCNCCC AB02251 [2,0,0,0,0,0|1,0,0]=3 75 B8R0.5 CCCC(CC(=O)O)N AB01975 [1,1,0,0,0,0|1,0,0]=3 76 B10R0.4 C(COCCOCC(=O)O)N AB66809 [0,2,0,0,0,0|2,0,0]=4 77 B10R0.74 CCCCNCCC(=O)OC MB00434 [0,2,0,0,0,0|0,0,0]=2 78 B10R0.108 CCOC(=O)CCC(=O)CBr AB69626 [0,2,0,0,0,0|1,0,1]=4 79 B10R0.42 C[C@@](CCCCN)(C(=O)O)N AB71660 [0,2,0,0,0,0|2,0,0]=4 80 B10R0.42 C[C@](CCCCN)(C(=O)O)N AB76167 [0,2,0,0,0,0|2,0,0]=4 81 B8R1.2 C1CC(CNC1)CN AB17390 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.2 C1CC(CNC1)CO PB21599 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.2 C1CC(COC1)C=O AB16155 [1,0,0,1,0,0|1,0,0]=3 84 B8R1.2 C1CC(COC1)CBr PB14565 [1,0,0,1,0,0|2,0,0]=4 85 B8R1.2 C1CC(COC1)CN PB23481 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.2 C1CC(COC1)CO PB12514 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.2 C1CCNC(C1)C=O AB52540 [1,0,0,1,0,0|1,0,0]=3 88 B8R1.2 C1CCOC(C1)C=O MB05934 [1,0,0,1,0,0|1,0,0]=3 89 B8R1.2 C1CNCCC1C=O AB52543 [1,0,0,1,0,0|1,0,0]=3 90 B8R1.2 C1COCCC1C=O AB14645 [1,0,0,1,0,0|1,0,0]=3 91 B8R1.2 C1CSCCC1C=O AB14650 [1,0,0,1,0,0|1,0,0]=3 92 B8R1.2 CCC1CNCCN1 AB13949 [1,0,0,1,0,0|2,0,0]=4 93 B8R1.2 CCC1CNCCO1 AB49621 [1,0,0,1,0,0|2,0,0]=4 94 B8R1.2 CCC1COCCN1 AB49617 [1,0,0,1,0,0|2,0,0]=4 95 B8R1.2 CC[C@@H]1CNCCN1 AB14255 [1,0,0,1,0,0|2,0,0]=4 96 B8R1.2 CNC1CCNCC1 PB15642 [1,0,0,1,0,0|2,0,0]=4 97 B8R1.2 CNC1CCOCC1 PB29392 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.2 COC1CCCNC1 PB14414 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.2 COC1CCNCC1 PB10390 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.2 COC1CCNCC1 PB34075 [1,0,0,1,0,0|2,0,0]=4 101 B8R1.2 CO[C@@H]1CCCNC1 PB31791 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.2 CO[C@@H]1CCCNC1 PB31829 [1,0,0,1,0,0|2,0,0]=4 103 B8R1.2 CO[C@H]1CCCNC1 PB13690 [1,0,0,1,0,0|2,0,0]=4 104 B8R1.2 CO[C@H]1CCCNC1 PB31836 [1,0,0,1,0,0|2,0,0]=4 105 B8R1.2 CSC1CCNCC1 PB22682 [1,0,0,1,0,0|2,0,0]=4 106 B8R1.5 C1CCC(=O)C(C1)F MB01688 [1,0,0,1,0,0|1,0,0]=3 107 B8R1.5 C1CNCC(C1=O)F PB20587 [1,0,0,1,0,0|2,0,0]=4 108 B8R1.5 C1COCC(C1=O)Br PB18064 [1,0,0,1,0,0|2,0,0]=4 109 B8R1.5 C1COCC(C1=O)F PB28362 [1,0,0,1,0,0|2,0,0]=4 110 B8R1.5 C1C[C@@H](C(=O)NC1)N AB49759 [1,0,0,1,0,0|2,0,0]=4 111 B8R1.5 C1C[C@H](C(=O)NC1)N AB45380 [1,0,0,1,0,0|2,0,0]=4 112 B8R1.5 CC1C(=O)NCCN1 AB04135 [1,0,0,1,0,0|2,0,0]=4 113 B8R1.5 CC1C(=O)NCCO1 AB71412 [1,0,0,1,0,0|2,0,0]=4 114 B8R1.5 CC1CCNCC1=O PB36769 [1,0,0,1,0,0|1,0,0]=3 115 B8R1.5 CC1CNCCC1=O PB23474 [1,0,0,1,0,0|1,0,0]=3 116 B8R1.5 CC1COCCC1=O PB26907 [1,0,0,1,0,0|1,0,0]=3 117 B8R1.5 CN1CCNCC1=O PB24934 [1,0,0,1,0,0|2,0,0]=4 118 B8R1.5 C[C@@H]1C(=O)NCCN1 AB76857 [1,0,0,1,0,0|2,0,0]=4 119 B8R1.5 C[C@H]1C(=O)NCCN1 AB37140 [1,0,0,1,0,0|2,0,0]=4 120 B8R1.8 C1CC(OC1)CC=O AB76318 [1,0,0,1,0,0|1,0,0]=3 121 B8R1.8 C1CCC(C1)CCN AB02350 [1,0,0,1,0,0|1,0,1]=4 122 B8R1.8 C1CCC(C1)CON CB11464 [1,0,0,1,0,0|2,0,0]=4 123 B8R1.8 C1CCC(C1)N=C=O AB10807 [1,0,0,1,0,0|1,0,1]=4 124 B8R1.8 C1CNCC1CCO PB20322 [1,0,0,1,0,0|2,0,0]=4 125 B8R1.8 C1COCC1CC=O AB75447 [1,0,0,1,0,0|1,0,0]=3 126 B8R1.8 C1COCC1CCI AB75456 [1,0,0,1,0,0|2,0,0]=4 127 B8R1.8 C1COCC1CCN AB45457 [1,0,0,1,0,0|2,0,0]=4 128 B8R1.8 CCCC1CCCN1 AB12028 [1,0,0,1,0,0|1,0,1]=4 129 B8R1.8 CCO[C@@H]1CCNC1 PB10951 [1,0,0,1,0,0|2,0,0]=4 130 B8R1.8 CCO[C@H]1CCNC1 PB29117 [1,0,0,1,0,0|2,0,0]=4 131 B8R1.8 COCC1CCNC1 PB18902 [1,0,0,1,0,0|2,0,0]=4 132 B8R1.8 COC[C@@H]1CCCN1 PB10025 [1,0,0,1,0,0|2,0,0]=4 133 B8R1.8 COC[C@@H]1CCNC1 PB35406 [1,0,0,1,0,0|2,0,0]=4 134 B8R1.8 COC[C@H]1CCCN1 PB15637 [1,0,0,1,0,0|2,0,0]=4 135 B8R1.8 COC[C@H]1CCNC1 PB35853 [1,0,0,1,0,0|2,0,0]=4 136 B8R1.10 C1CC(C1)CN=C=O AB74239 [1,0,0,1,0,0|1,0,1]=4 137 B8R1.10 CCCOC1CNC1 AB30389 [1,0,0,1,0,0|2,0,0]=4 138 B8R1.11 CN1CCC[C@@H]1CN PB21275 [1,0,0,1,0,0|2,0,0]=4 139 B8R1.11 CN1CCC[C@@H]1CO PB17412 [1,0,0,1,0,0|2,0,0]=4 140 B8R1.11 CN1CCC[C@H]1CN PB34570 [1,0,0,1,0,0|2,0,0]=4 141 B8R1.22 C1CC(=O)CCNC1 PB26051 [1,0,0,1,0,0|1,0,0]=3 142 B8R1.22 C1CC(=O)CCOC1 AB76453 [1,0,0,1,0,0|1,0,0]=3 143 B8R1.22 C1CCNCC(C1)N AB11528 [1,0,0,1,0,0|2,0,0]=4 144 B8R1.22 C1CCNC[C@@H](C1)N PB20876 [1,0,0,1,0,0|2,0,0]=4 145 B8R1.22 C1CNCC(=O)NC1 AB30280 [1,0,0,1,0,0|2,0,0]=4 146 B8R1.22 C1CNCCNC1=O AB07054 [1,0,0,1,0,0|2,0,0]=4 147 B8R1.22 C[C@H]1CNCCCN1 AB72341 [1,0,0,1,0,0|2,0,0]=4 148 B8R1.36 COCCNC1CC1 MB07709 [1,0,0,1,0,0|2,0,0]=4 149 B8R1.1 C1C(CNC1=O)CN PB10686 [1,0,0,1,0,0|2,0,0]=4 150 B8R1.1 C1C(CNC1=O)CO PB26709 [1,0,0,1,0,0|2,0,0]=4 151 B8R1.1 C1CC(=O)NC1CN AB28123 [1,0,0,1,0,0|2,0,0]=4 152 B8R1.1 C1CC(=O)N[C@@H]1CCl MB07054 [1,0,0,1,0,0|2,0,0]=4 153 B8R1.1 C1CC(=O)N[C@@H]1CN AB28507 [1,0,0,1,0,0|2,0,0]=4 154 B8R1.1 C1CC(=O)N[C@H]1CCl MB06934 [1,0,0,1,0,0|2,0,0]=4 155 B8R1.1 C1CC(=O)N[C@H]1CN AB28509 [1,0,0,1,0,0|2,0,0]=4 156 B8R1.1 C1CC(=O)N[C@H]1CO AB02985 [1,0,0,1,0,0|2,0,0]=4 157 B8R1.1 C1[C@@H](CNC1=O)CN PB39244 [1,0,0,1,0,0|2,0,0]=4 158 B8R1.1 C1[C@@H](COC1=O)CF MB10069 [1,0,0,1,0,0|2,0,0]=4 159 B8R1.1 C1[C@H](CNC1=O)CN PB37026 [1,0,0,1,0,0|2,0,0]=4 160 B8R1.1 C1[C@H](COC1=O)CF MB19704 [1,0,0,1,0,0|2,0,0]=4 161 B8R1.4 C1CNC(=O)CC1N PB11631 [1,0,0,1,0,0|2,0,0]=4 162 B8R1.4 C1CNC(=O)C[C@@H]1O AB29511 [1,0,0,1,0,0|2,0,0]=4 163 B8R1.4 CC1CC(=O)CCN1 PB18889 [1,0,0,1,0,0|1,0,0]=3 164 B8R1.4 CC1CC(=O)CCO1 PB18115 [1,0,0,1,0,0|1,0,0]=3 165 B8R1.4 CC1CNCC(=O)N1 AB37299 [1,0,0,1,0,0|2,0,0]=4 166 B8R1.4 CN1CCCC(=O)C1 AB39316 [1,0,0,1,0,0|1,0,0]=3 167 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [1,0,0,1,0,0|1,0,0]=3 168 B8R1.4 C[C@@H]1CCC[C@@H](N1)C AB02692 [1,0,0,1,0,0|1,0,1]=4 169 B8R1.4 C[C@@H]1CCC[C@H](N1)C AB76289 [1,0,0,1,0,0|1,0,1]=4 170 B8R1.4 C[C@@H]1CNCC(=O)N1 AB37303 [1,0,0,1,0,0|2,0,0]=4 171 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [1,0,0,1,0,0|1,0,0]=3 172 B8R1.4 C[C@H]1CNCC(=O)N1 AB37302 [1,0,0,1,0,0|2,0,0]=4 173 B8R1.7 C1CCC(C1)C(=O)O AB00138 [1,0,0,1,0,0|1,0,0]=3 174 B8R1.7 C1CNCC1C(=O)N PB11736 [1,0,0,1,0,0|2,0,0]=4 175 B8R1.7 C1CNCC1C(=O)N PB32691 [1,0,0,1,0,0|2,0,0]=4 176 B8R1.7 C1CNCC1C(=O)O PB19915 [1,0,0,1,0,0|2,0,0]=4 177 B8R1.7 C1CNC[C@@H]1C(=O)N PB14988 [1,0,0,1,0,0|2,0,0]=4 178 B8R1.7 C1CNC[C@@H]1C(=O)O PB16017 [1,0,0,1,0,0|2,0,0]=4 179 B8R1.7 C1CNC[C@H]1C(=O)N PB16436 [1,0,0,1,0,0|2,0,0]=4 180 B8R1.7 C1CNC[C@H]1C(=O)N PB28896 [1,0,0,1,0,0|2,0,0]=4 181 B8R1.7 C1CNC[C@H]1C(=O)O PB10622 [1,0,0,1,0,0|2,0,0]=4 182 B8R1.7 C1COCC1C(=O)N PB20686 [1,0,0,1,0,0|2,0,0]=4 183 B8R1.7 C1COC[C@@H]1C(=O)O PB15879 [1,0,0,1,0,0|2,0,0]=4 184 B8R1.7 C1COC[C@H]1C(=O)O PB26265 [1,0,0,1,0,0|2,0,0]=4 185 B8R1.7 C1C[C@@H](NC1)C(=O)N AB04106 [1,0,0,1,0,0|2,0,0]=4 186 B8R1.7 C1C[C@@H](NC1)C(=O)O AB02582 [1,0,0,1,0,0|2,0,0]=4 187 B8R1.7 C1C[C@H](NC1)C(=O)N AB00394 [1,0,0,1,0,0|2,0,0]=4 188 B8R1.34 C1C(CN1)CC(=O)O PB17729 [1,0,0,1,0,0|2,0,0]=4 189 B8R1.34 C1C(CO1)CC(=O)O PB15407 [1,0,0,1,0,0|2,0,0]=4 190 B8R1.34 CC(=O)NC1CNC1 PB23547 [1,0,0,1,0,0|2,0,0]=4 191 B8R1.34 CC(=O)SC1CNC1 PB19657 [1,0,0,1,0,0|2,0,0]=4 192 B10R1.13 C1CC(=O)CCC1C(=O)O PB10093 [0,1,0,1,0,0|1,0,1]=4 193 B10R1.13 C1CC(CCC1C(=O)O)F AB68681 [0,1,0,1,0,0|1,0,0]=3 194 B10R1.13 C1C[C@H](NC[C@H]1O)C(=O)O PB18272 [0,1,0,1,0,0|2,0,0]=4 195 B10R1.13 C1[C@@H](CC[C@@H](C1)N)C(=O)O PB10129 [0,1,0,1,0,0|1,0,0]=3 196 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O PB21681 [0,1,0,1,0,0|1,0,0]=3 197 B10R1.13 CC(=O)N1CCC(CC1)N PB24800 [0,1,0,1,0,0|1,0,0]=3 198 B10R1.13 CC(=O)N1CCC(CC1)O PB11970 [0,1,0,1,0,0|1,0,0]=3 199 B10R1.13 CC(=O)N1CCN(CC1)C MB01399 [0,1,0,1,0,0|2,0,0]=4 200 B10R1.13 CN1CCC(CC1)C(=O)N AB25815 [0,1,0,1,0,0|2,0,0]=4 201 B10R1.13 CN1CCC(CC1)C(=O)O AB04504 [0,1,0,1,0,0|2,0,0]=4 202 B10R1.13 CN1CCC(CC1)C(=O)O PB21919 [0,1,0,1,0,0|2,0,0]=4 203 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O AB02851 [0,1,0,1,0,0|1,0,0]=3 204 B10R1.14 COC(=O)C1CCC(=O)C1 PB20391 [0,1,0,1,0,0|1,0,1]=4 205 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 PB27535 [0,1,0,1,0,0|1,0,1]=4 206 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 PB31918 [0,1,0,1,0,0|1,0,1]=4 207 B10R1.54 C1CN(CC1N)CC(=O)O AB29043 [0,1,0,1,0,0|2,0,0]=4 208 B10R1.54 C1CN(C[C@@H]1N)CC(=O)O AB29040 [0,1,0,1,0,0|2,0,0]=4 209 B10R1.54 C1CN(C[C@@H]1O)CC(=O)O AB39264 [0,1,0,1,0,0|2,0,0]=4 210 B10R1.54 C1CN(C[C@H]1N)CC(=O)O AB29038 [0,1,0,1,0,0|2,0,0]=4 211 B10R1.10 CCCC1COCC(=O)N1 AB72706 [0,1,0,1,0,0|1,0,0]=3 212 B10R1.10 CN1CCCC(C1)CCN PB33033 [0,1,0,1,0,0|2,0,0]=4 213 B10R1.10 CN1CCCC(C1)CCO PB22676 [0,1,0,1,0,0|2,0,0]=4 214 B10R1.10 CSCC1CNCC(=O)N1 AB37322 [0,1,0,1,0,0|2,0,0]=4 215 B10R1.10 CSC[C@@H]1CNCC(=O)N1 AB37326 [0,1,0,1,0,0|2,0,0]=4 216 B10R1.10 CSC[C@H]1CNCC(=O)N1 AB37323 [0,1,0,1,0,0|2,0,0]=4 217 B10R1.18 C1CC(CNC1)CC(=O)O PB14441 [0,1,0,1,0,0|1,0,0]=3 218 B10R1.18 C1CCN(CC1)CC(=O)O AB06105 [0,1,0,1,0,0|1,0,0]=3 219 B10R1.18 C1CCN[C@@H](C1)CC(=O)O MB07045 [0,1,0,1,0,0|1,0,0]=3 220 B10R1.18 C1CN(CCN1)CC(=O)O AB13768 [0,1,0,1,0,0|2,0,0]=4 221 B10R1.18 C1CNCCC1CC(=O)N PB30145 [0,1,0,1,0,0|1,0,0]=3 222 B10R1.18 C1CNCCC1CC(=O)O PB18605 [0,1,0,1,0,0|1,0,0]=3 223 B10R1.18 C1COC(CN1)CC(=O)O AB17145 [0,1,0,1,0,0|2,0,0]=4 224 B10R1.18 C1COCC(N1)CC(=O)O PB27599 [0,1,0,1,0,0|2,0,0]=4 225 B10R1.18 C1COCCC1CC(=O)O PB33952 [0,1,0,1,0,0|1,0,0]=3 226 B10R1.18 C1COC[C@@H](N1)CC(=O)O MB69354 [0,1,0,1,0,0|2,0,0]=4 227 B10R1.18 C1COC[C@H](N1)CC(=O)O MB69353 [0,1,0,1,0,0|2,0,0]=4 228 B10R1.18 C1CO[C@@H](CN1)CC(=O)O MB15018 [0,1,0,1,0,0|2,0,0]=4 229 B10R1.18 C1CO[C@H](CN1)CC(=O)O MB15022 [0,1,0,1,0,0|2,0,0]=4 230 B10R1.18 C1CSCCN1CC(=O)O AB16490 [0,1,0,1,0,0|2,0,0]=4 231 B10R1.18 C1C[C@@H](CNC1)CC(=O)O AB70074 [0,1,0,1,0,0|1,0,0]=3 232 B10R1.18 C1C[C@H](CNC1)CC(=O)O AB70075 [0,1,0,1,0,0|1,0,0]=3 233 B10R1.18 CC(=O)CN1CCOCC1 AB48352 [0,1,0,1,0,0|1,0,0]=3 234 B10R1.18 CC(=O)OC1CCCCS1 AB31207 [0,1,0,1,0,0|1,0,0]=3 235 B10R1.18 CC(=O)SC1CCOCC1 AB76313 [0,1,0,1,0,0|1,0,0]=3 236 B10R1.18 CN(C)CC1CCCCN1 MB00319 [0,1,0,1,0,0|2,0,0]=4 237 B10R1.38 C[C@@]1(CCCC[C@H]1CN)O AB49857 [0,1,0,1,0,0|0,0,2]=4 238 B10R1.38 C[C@@]1(CCCC[C@H]1CO)N AB30956 [0,1,0,1,0,0|1,0,1]=4 239 B10R1.38 C[C@@]1(CCCC[C@H]1CO)N AB49845 [0,1,0,1,0,0|1,0,1]=4 240 B10R1.38 C[C@]1(CCCC[C@@H]1CN)O AB42824 [0,1,0,1,0,0|0,0,2]=4 241 B10R1.61 C1CC[C@@H]([C@@H](C1)C(=O)O)N AB03883 [0,1,0,1,0,0|1,0,0]=3 242 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)N)N AB50604 [0,1,0,1,0,0|1,0,0]=3 243 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N AB03949 [0,1,0,1,0,0|1,0,0]=3 244 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N AB22523 [0,1,0,1,0,0|1,0,0]=3 245 B10R1.61 CC(=O)N1CCCCC1=O AB52501 [0,1,0,1,0,0|1,0,1]=4 246 B10R1.61 CN1CCCCC1C(=O)O AB09264 [0,1,0,1,0,0|1,0,0]=3 247 B10R1.61 CN1CCOCC1C(=O)O AB28234 [0,1,0,1,0,0|2,0,0]=4 248 B10R1.348 C1CC(CCNC1)C(=O)O PB15253 [0,1,0,1,0,0|1,0,0]=3 249 B10R1.348 CN(C)C1CCCCNC1 MB08493 [0,1,0,1,0,0|2,0,0]=4 250 B10R1.266 C1CC(C1)C(CC(=O)O)N AB24717 [0,1,0,1,0,0|1,0,0]=3 251 B10R1.266 C1CC(C1)[C@@H](CC(=O)O)N AB36099 [0,1,0,1,0,0|1,0,0]=3 252 B10R1.266 C1CC(C1)[C@H](CC(=O)O)N AB36096 [0,1,0,1,0,0|1,0,0]=3 253 B10R1.28 C1CCC(CC1)S(=O)(=O)Cl AB20735 [0,1,0,1,0,0|2,0,0]=4 254 B10R1.28 CS(=O)(=O)C1CCCNC1 PB30175 [0,1,0,1,0,0|2,0,0]=4 255 B10R1.28 CS(=O)(=O)C1CCNCC1 PB23849 [0,1,0,1,0,0|2,0,0]=4 256 B10R1.28 CS(=O)(=O)[C@@H]1CCCNC1 PB19508 [0,1,0,1,0,0|2,0,0]=4 257 B10R1.28 CS(=O)(=O)[C@H]1CCCNC1 PB30177 [0,1,0,1,0,0|2,0,0]=4 258 B10R1.281 C1CCC(C1)CS(=O)(=O)Cl AB22672 [0,1,0,1,0,0|2,0,0]=4 259 B10R1.1 CSCC1CNC(=O)CN1 AB37228 [0,1,0,1,0,0|2,0,0]=4 260 B10R1.1 CSC[C@@H]1CNC(=O)CN1 AB37233 [0,1,0,1,0,0|2,0,0]=4 261 B10R1.1 CSC[C@H]1CNC(=O)CN1 AB37230 [0,1,0,1,0,0|2,0,0]=4 262 B10R1.15 C1CC(COC1)C(=O)NN PB15327 [0,1,0,1,0,0|2,0,0]=4 263 B10R1.15 C1COCCC1C(=O)NN PB29666 [0,1,0,1,0,0|2,0,0]=4 264 B10R1.15 C1COCCN1C(=O)CBr AB29971 [0,1,0,1,0,0|2,0,0]=4 265 B10R1.15 C1COCCN1C(=O)CO AB44986 [0,1,0,1,0,0|2,0,0]=4 266 B10R1.15 COC(=O)C1CCCOC1 PB29711 [0,1,0,1,0,0|1,0,0]=3 267 B10R1.15 COC(=O)C1CCNCC1 AB04510 [0,1,0,1,0,0|1,0,0]=3 268 B10R1.15 COC(=O)C1CCOCC1 PB10181 [0,1,0,1,0,0|1,0,0]=3 269 B10R1.15 COC(=O)C1CCSCC1 PB17687 [0,1,0,1,0,0|1,0,0]=3 270 B10R1.15 COC(=O)[C@@H]1CCCNC1 PB34398 [0,1,0,1,0,0|1,0,0]=3 271 B10R1.15 COC(=O)[C@@H]1CNCCN1 PB16226 [0,1,0,1,0,0|2,0,0]=4 272 B10R1.15 COC(=O)[C@H]1CCCNC1 PB17641 [0,1,0,1,0,0|1,0,0]=3 273 B10R1.15 COC(=O)[C@H]1CNCCN1 PB16053 [0,1,0,1,0,0|2,0,0]=4 274 B10R1.27 COC(=O)C[C@@H]1CCCN1 AB58450 [0,1,0,1,0,0|1,0,0]=3 275 B10R1.149 COC(=O)[C@@H]1[C@@H](CCN1)O PB10477 [0,1,0,1,0,0|2,0,0]=4 276 B10R1.149 COC(=O)[C@@H]1[C@@H](CCN1)O PB11090 [0,1,0,1,0,0|2,0,0]=4 277 B10R1.149 COC(=O)[C@@H]1[C@H](CCN1)O PB37982 [0,1,0,1,0,0|2,0,0]=4 278 B10R1.23 C1CCC(C1)[C@@H](C(=O)O)N AB15910 [0,1,0,1,0,0|1,0,0]=3 279 B10R1.23 C1CCC(C1)[C@H](C(=O)O)N AB15907 [0,1,0,1,0,0|1,0,0]=3 280 B10R1.23 C1COCC1C(C(=O)O)N AB10007 [0,1,0,1,0,0|2,0,0]=4 281 B10R1.23 CC(=O)N(C)C1CCNC1 PB15630 [0,1,0,1,0,0|2,0,0]=4 282 B10R1.23 CC(=O)N(C)[C@@H]1CCNC1 PB26750 [0,1,0,1,0,0|2,0,0]=4 283 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 PB38867 [0,1,0,1,0,0|2,0,0]=4 284 B10R1.113 C1CN[C@@H](C[C@@H]1O)C(=O)O AB55088 [0,1,0,1,0,0|2,0,0]=4 285 B10R1.113 CC(C)C1CNCC(=O)N1 AB37306 [0,1,0,1,0,0|2,0,0]=4 286 B10R1.113 CC(C)C1COCC(=O)N1 AB72696 [0,1,0,1,0,0|2,0,0]=4 287 B10R1.113 CC(C)N1CCCC(=O)C1 AB39319 [0,1,0,1,0,0|1,0,0]=3 288 B10R1.113 CC(C)[C@@H]1CNCC(=O)N1 AB37312 [0,1,0,1,0,0|2,0,0]=4 289 B10R1.113 CC(C)[C@H]1CNCC(=O)N1 AB37309 [0,1,0,1,0,0|2,0,0]=4 290 B10R1.113 CN1CCCC(C1)C(=O)O PB20225 [0,1,0,1,0,0|2,0,0]=4 291 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O AB16257 [0,1,0,1,0,0|2,0,0]=4 292 B10R1.113 C[C@H]1CCN[C@H](C1)C(=O)O AB51287 [0,1,0,1,0,0|2,0,0]=4 293 B10R1.176 CN1CCC(CC1=O)CN PB16684 [0,1,0,1,0,0|2,0,0]=4 294 B10R1.176 CN1CCC(CC1=O)CO PB24273 [0,1,0,1,0,0|2,0,0]=4 295 B10R1.363 C1CNCCC1(C(=O)O)N AB11717 [0,1,0,1,0,0|2,0,0]=4 296 B10R1.363 C1CNCCC1(C(=O)O)N PB12229 [0,1,0,1,0,0|2,0,0]=4 297 B10R1.363 C1COCCC1(C(=O)O)F PB15021 [0,1,0,1,0,0|2,0,0]=4 298 B10R1.363 C1COCCC1(C(=O)O)N PB20179 [0,1,0,1,0,0|2,0,0]=4 299 B10R1.363 C1CSCCC1(C(=O)O)N AB25459 [0,1,0,1,0,0|2,0,0]=4 300 B10R1.363 CC1(CCCNC1)C(=O)O PB15028 [0,1,0,1,0,0|2,0,0]=4 301 B10R1.363 CC1(CCOCC1)C(=O)O PB34675 [0,1,0,1,0,0|2,0,0]=4 302 B10R1.363 CC1(CCSCC1)C(=O)O PB30322 [0,1,0,1,0,0|2,0,0]=4 303 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N AB22660 [0,1,0,1,0,0|1,0,0]=3 304 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N AB49830 [0,1,0,1,0,0|1,0,0]=3 305 B10R2.62 C1[C@@H]2C(=O)N[C@H](C1)CC2 PB30124 [0,0,0,2,0,0|1,0,0]=3 306 B10R2.71 C1CC2CC(=O)CC1O2 PB37880 [0,0,0,2,0,0|1,0,0]=3 307 B10R2.71 C1C[C@H]2CC(=O)C[C@@H]1N2 PB18614 [0,0,0,2,0,0|1,0,0]=3 308 B10R2.408 C1CC2CCCC(C1)N2 PB15439 [0,0,0,2,0,0|1,0,1]=4 309 B10R2.534 C1CC12CNCC(=O)N2 PB25711 [0,0,0,2,0,0|2,0,0]=4 310 B10R2.344 C1C2C1(CNC2)C(=O)O PB25715 [0,0,0,2,0,0|2,0,0]=4 311 B10R2.351 C1[C@@H]2[C@@H]([C@H]2C(=O)N)CN1 PB15387 [0,0,0,2,0,0|2,0,0]=4 312 B10R2.355 C1[C@H]2[C@@H]1[C@H](NC2)C(=O)O PB24875 [0,0,0,2,0,0|2,0,0]=4 313 B10R2.357 C1C2C1CC(C2)C(=O)O PB25532 [0,0,0,2,0,0|1,0,0]=3 314 B10R2.357 C1[C@@H]2[C@H]1N[C@@H](C2)C(=O)O PB10586 [0,0,0,2,0,0|2,0,0]=4 315 B10R2.32 C1CC(=O)C2C1CNC2 PB32434 [0,0,0,2,0,0|1,0,0]=3 316 B10R2.32 C1CC2C(=O)CCN2C1 AB27646 [0,0,0,2,0,0|1,0,0]=3 317 B10R2.32 C1CN[C@H]2[C@@H]1CNC2=O PB31139 [0,0,0,2,0,0|2,0,0]=4 318 B10R2.332 C1C(=O)NCC12COC2 PB28536 [0,0,0,2,0,0|2,0,0]=4 319 B10R2.316 C1CCC2(C1)CC(=O)N2 PB38878 [0,0,0,2,0,0|1,0,0]=3