0 B7R1.1 BrCC1=CCCC1 37275 [0,0,0,0,0,0|2,0,1]=3 1 B7R1.1 BrC[C@H]1CCOC1 84096 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.1 C=CC1CCCC1 T72385 [0,0,0,0,0,0|2,0,1]=3 3 B7R1.1 CC[C@H]1CCCN1 F16886 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.1 CC[C@H]1CCNC1 P14869 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.1 CN[C@H]1CCOC1 P18534 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.1 CN[C@H]1CCOC1 P18535 [0,0,0,0,0,0|4,0,0]=4 7 B7R1.1 COC1=CCCC1 D93350 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.1 CO[C@H]1CCNC1 26935 [0,0,0,0,0,0|4,0,0]=4 9 B7R1.1 CO[C@H]1CCNC1 P10862 [0,0,0,0,0,0|4,0,0]=4 10 B7R1.1 FC[C@H]1CCCN1 37688 [0,0,0,0,0,0|2,0,0]=2 11 B7R1.1 FC[C@H]1CCCN1 P11073 [0,0,0,0,0,0|2,0,0]=2 12 B7R1.1 FC[C@H]1CCNC1 P18731 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.1 N#C[C@@H]1CCCN1 37678 [0,0,0,0,0,0|2,0,1]=3 14 B7R1.1 N#C[C@@H]1CCCN1 68253 [0,0,0,0,0,0|2,0,1]=3 15 B7R1.1 N#C[C@@H]1CCCN1 68254 [0,0,0,0,0,0|2,0,1]=3 16 B7R1.1 N#C[C@@H]1CCCO1 31513 [0,0,0,0,0,0|1,0,1]=2 17 B7R1.1 N#C[C@@H]1CSCN1 68265 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.1 N#C[C@H]1CCNC1 81493 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.1 N#C[C@H]1CCNC1 81538 [0,0,0,0,0,0|3,0,1]=4 20 B7R1.1 N#C[C@H]1CCNC1 82703 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.1 N#C[C@H]1CCOC1 39230 [0,0,0,0,0,0|3,0,1]=4 22 B7R1.1 N#C[C@H]1CCOC1 P12891 [0,0,0,0,0,0|3,0,1]=4 23 B7R1.1 NCC1CCCC1 P10292 [0,0,0,0,0,0|2,0,0]=2 24 B7R1.1 NC[C@H]1CCCN1 83159 [0,0,0,0,0,0|2,0,0]=2 25 B7R1.1 NC[C@H]1CCCO1 83007 [0,0,0,0,0,0|1,0,0]=1 26 B7R1.1 NC[C@H]1CCCO1 S11127 [0,0,0,0,0,0|1,0,0]=1 27 B7R1.1 NC[C@H]1CCOC1 37316 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.1 NC[C@H]1CCOC1 68891 [0,0,0,0,0,0|3,0,0]=3 29 B7R1.1 NC[C@H]1CCOC1 P12031 [0,0,0,0,0,0|3,0,0]=3 30 B7R1.1 NNC1CCCC1 BL010355 [0,0,0,0,0,0|3,0,0]=3 31 B7R1.1 NOC1CCCC1 97655 [0,0,0,0,0,0|3,0,0]=3 32 B7R1.1 O=CC1=CCCC1 26227 [0,0,0,0,0,0|1,0,3]=4 33 B7R1.1 O=CC1=CCCO1 D79895 [0,0,0,0,0,0|0,0,4]=4 34 B7R1.1 OCC1=CC=NO1 33580 [0,0,0,0,0,0|1,0,3]=4 35 B7R1.1 OC[C@H]1CCCO1 66575 [0,0,0,0,0,0|0,0,0]=0 36 B7R1.1 OC[C@H]1CCNC1 24481 [0,0,0,0,0,0|2,0,0]=2 37 B7R1.1 OC[C@H]1CCNC1 29239 [0,0,0,0,0,0|2,0,0]=2 38 B7R1.1 OC[C@H]1CCNC1 30959 [0,0,0,0,0,0|2,0,0]=2 39 B7R1.1 OC[C@H]1CCOC1 37313 [0,0,0,0,0,0|2,0,0]=2 40 B7R1.1 OC[C@H]1CCOC1 37314 [0,0,0,0,0,0|2,0,0]=2 41 B7R1.1 [C-]#[N+]C1CCCC1 T71226 [0,0,0,0,0,0|3,0,0]=3 42 B6R1.2 C[C@H]1CCNC1 69327 [1,0,0,0,0,0|2,0,0]=3 43 B6R1.2 C[C@H]1CCSC1 70016 [1,0,0,0,0,0|2,0,0]=3 44 B6R1.2 Cl[C@H]1CCNC1 W15835 [1,0,0,0,0,0|3,0,0]=4 45 B6R1.2 Cl[C@H]1CCOC1 N12419 [1,0,0,0,0,0|3,0,0]=4 46 B6R1.2 F[C@H]1CCNC1 P10396 [1,0,0,0,0,0|3,0,0]=4 47 B6R1.2 F[C@H]1CCNC1 P10397 [1,0,0,0,0,0|3,0,0]=4 48 B6R1.2 I[C@H]1CCOC1 37310 [1,0,0,0,0,0|3,0,0]=4 49 B6R1.2 I[C@H]1CCOC1 37311 [1,0,0,0,0,0|3,0,0]=4 50 B6R1.2 NC1=NCCO1 53947 [1,0,0,0,0,0|2,0,1]=4 51 B6R1.2 NN1CCCC1 F13227 [1,0,0,0,0,0|3,0,0]=4 52 B6R1.2 NN1CCCC1 S12058 [1,0,0,0,0,0|3,0,0]=4 53 B6R1.2 N[C@H]1CCSC1 70834 [1,0,0,0,0,0|3,0,0]=4 54 B6R1.2 O[C@H]1CCSC1 50208 [1,0,0,0,0,0|2,0,0]=3 55 B6R1.2 O[C@H]1CNOC1 31712 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.1 CCN1CC[C@H](N)C1 P15254 [0,1,0,0,0,0|3,0,0]=4 57 B8R1.1 CCN1CC[C@H](N)C1 P15821 [0,1,0,0,0,0|3,0,0]=4 58 B8R1.1 CN1CC[C@H](CN)C1 P13795 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.1 CN1CC[C@H](CN)C1 P13796 [0,1,0,0,0,0|3,0,0]=4 60 B8R1.1 CN1CC[C@H](CO)C1 22985 [0,1,0,0,0,0|2,0,0]=3 61 B8R1.1 CN1CC[C@H](CO)C1 37309 [0,1,0,0,0,0|2,0,0]=3 62 B8R1.1 COC1CCC(N)C1 33463 [0,1,0,0,0,0|3,0,0]=4 63 B8R1.1 COC1CCC(O)C1 P19125 [0,1,0,0,0,0|3,0,0]=4 64 B8R1.1 CO[C@H]1CC[C@@H](N)C1 P19923 [0,1,0,0,0,0|3,0,0]=4 65 B8R1.1 CO[C@H]1CC[C@H](N)C1 P17830 [0,1,0,0,0,0|3,0,0]=4 66 B8R1.1 C[C@@H]1CC[C@H](CO)O1 73085 [0,1,0,0,0,0|0,0,0]=1 67 B8R1.1 N#CC1CCC(O)C1 W19383 [0,1,0,0,0,0|2,0,1]=4 68 B8R1.1 N#C[C@@H]1CC[C@H](O)C1 73072 [0,1,0,0,0,0|2,0,1]=4 69 B8R1.1 N#C[C@H]1CC[C@H](O)C1 73073 [0,1,0,0,0,0|2,0,1]=4 70 B8R1.1 NCC1CCC(F)C1 72980 [0,1,0,0,0,0|2,0,0]=3 71 B8R1.1 NCC1CCC(O)C1 72949 [0,1,0,0,0,0|2,0,0]=3 72 B8R1.1 NC[C@H]1CCC(=O)N1 D76501 [0,1,0,0,0,0|2,0,1]=4 73 B8R1.1 NC[C@H]1CCC(=O)N1 P10403 [0,1,0,0,0,0|2,0,1]=4 74 B8R1.1 NC[C@H]1CCC(=O)N1 P15844 [0,1,0,0,0,0|2,0,1]=4 75 B8R1.1 NC[C@H]1CCC(=O)N1 P18547 [0,1,0,0,0,0|2,0,1]=4 76 B8R1.1 NC[C@H]1CCC(=O)N1 P19760 [0,1,0,0,0,0|2,0,1]=4 77 B8R1.1 NC[C@H]1CC[C@H](F)C1 72985 [0,1,0,0,0,0|2,0,0]=3 78 B8R1.1 NC[C@H]1CNC(=O)O1 P14233 [0,1,0,0,0,0|2,0,1]=4 79 B8R1.1 NC[C@H]1CNC(=O)O1 P14473 [0,1,0,0,0,0|2,0,1]=4 80 B8R1.1 NC[C@H]1CNC(=O)O1 P14857 [0,1,0,0,0,0|2,0,1]=4 81 B8R1.1 N[C@@H]1CN[C@@H](CO)C1 91826 [0,1,0,0,0,0|1,0,0]=2 82 B8R1.1 O=C1CC[C@H](CI)O1 AB22632 [0,1,0,0,0,0|1,0,1]=3 83 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [0,1,0,0,0,0|1,0,1]=3 84 B8R1.1 O=C1CC[C@H](CO)O1 80970 [0,1,0,0,0,0|0,0,1]=2 85 B8R1.1 O=C1C[C@H](CO)CN1 P11209 [0,1,0,0,0,0|2,0,1]=4 86 B8R1.1 O=C1NC[C@H](CO)O1 70228 [0,1,0,0,0,0|1,0,1]=3 87 B8R1.1 O=C1N[C@@H](CO)CO1 AC1845 [0,1,0,0,0,0|2,0,1]=4 88 B8R1.1 O=C1N[C@@H](CO)CO1 F50277 [0,1,0,0,0,0|2,0,1]=4 89 B8R1.1 O=C1N[C@@H](CO)CO1 F50345 [0,1,0,0,0,0|2,0,1]=4 90 B8R1.1 OC[C@@H]1C[C@H](F)CN1 D79544 [0,1,0,0,0,0|1,0,0]=2 91 B8R1.1 OC[C@@H]1C[C@H](O)CN1 S10025 [0,1,0,0,0,0|1,0,0]=2 92 B8R1.7 CC(C)C1=NCCO1 T71548 [0,1,0,0,0,0|2,0,1]=4 93 B8R1.7 CC(C)[C@@H]1CCCN1 P15226 [0,1,0,0,0,0|2,0,0]=3 94 B8R1.7 CC(C)[C@@H]1CCCN1 P15234 [0,1,0,0,0,0|2,0,0]=3 95 B8R1.7 CC(C)[C@H]1CCNC1 P15823 [0,1,0,0,0,0|3,0,0]=4 96 B8R1.7 CC(C)[C@H]1CCNC1 P17781 [0,1,0,0,0,0|3,0,0]=4 97 B8R1.7 C[C@H](N)C1CCCC1 66137 [0,1,0,0,0,0|2,0,0]=3 98 B8R1.7 C[C@H](N)C1CCCC1 83604 [0,1,0,0,0,0|2,0,0]=3 99 B8R1.7 FC(F)[C@H]1CCNC1 P19957 [0,1,0,0,0,0|3,0,0]=4 100 B8R1.7 FC(F)[C@H]1CCNC1 P19958 [0,1,0,0,0,0|3,0,0]=4 101 B8R1.7 N=C(N)[C@@H]1CCCN1 D72051 [0,1,0,0,0,0|2,0,1]=4 102 B8R1.7 N=C(N)[C@@H]1CCCO1 C75904 [0,1,0,0,0,0|1,0,1]=3 103 B8R1.7 O=C(Cl)[C@@H]1CCCO1 P19141 [0,1,0,0,0,0|0,0,2]=3 104 B8R1.7 O=C(O)[C@@H]1CCCN1 D77952 [0,1,0,0,0,0|1,0,1]=3 105 B8R1.7 O=C(O)[C@@H]1COCN1 A11387 [0,1,0,0,0,0|2,0,1]=4 106 B8R1.7 O=C(O)[C@@H]1COCN1 C73113 [0,1,0,0,0,0|2,0,1]=4 107 B8R1.7 O=C(O)[C@H]1CCNC1 65432 [0,1,0,0,0,0|2,0,1]=4 108 B8R1.7 O=C(O)[C@H]1CCNC1 P10866 [0,1,0,0,0,0|2,0,1]=4 109 B8R1.7 O=C(O)[C@H]1CCOC1 59930 [0,1,0,0,0,0|2,0,1]=4 110 B8R1.7 O=C(O)[C@H]1CCOC1 66517 [0,1,0,0,0,0|2,0,1]=4 111 B8R1.8 BrCCC1CCCC1 C78009 [0,1,0,0,0,0|2,0,0]=3 112 B8R1.8 C#CCN1CCCC1 98376 [0,1,0,0,0,0|3,0,0]=4 113 B8R1.8 C#CCN1CCCC1 W15840 [0,1,0,0,0,0|3,0,0]=4 114 B8R1.8 C=CC[C@H]1CCCN1 N16954 [0,1,0,0,0,0|2,0,0]=3 115 B8R1.8 CCN[C@H]1CCNC1 T72394 [0,1,0,0,0,0|3,0,0]=4 116 B8R1.8 CCN[C@H]1CCOC1 F14260 [0,1,0,0,0,0|3,0,0]=4 117 B8R1.8 CCO[C@H]1CCNC1 P10149 [0,1,0,0,0,0|3,0,0]=4 118 B8R1.8 CNC[C@H]1CCCN1 P18036 [0,1,0,0,0,0|2,0,0]=3 119 B8R1.8 COC[C@H]1CCCN1 11152 [0,1,0,0,0,0|1,0,0]=2 120 B8R1.8 COC[C@H]1CCCN1 11153 [0,1,0,0,0,0|1,0,0]=2 121 B8R1.8 COC[C@H]1CCCN1 71289 [0,1,0,0,0,0|1,0,0]=2 122 B8R1.8 COC[C@H]1CCNC1 72010 [0,1,0,0,0,0|2,0,0]=3 123 B8R1.8 COC[C@H]1CCNC1 P10622 [0,1,0,0,0,0|2,0,0]=3 124 B8R1.8 COC[C@H]1CCNC1 P12588 [0,1,0,0,0,0|2,0,0]=3 125 B8R1.8 COC[C@H]1CCNC1 P15249 [0,1,0,0,0,0|2,0,0]=3 126 B8R1.8 COC[C@H]1CCNC1 P15255 [0,1,0,0,0,0|2,0,0]=3 127 B8R1.8 ClCCC1CCCC1 AC1057 [0,1,0,0,0,0|2,0,0]=3 128 B8R1.8 NCCC1OCCO1 T71082 [0,1,0,0,0,0|2,0,0]=3 129 B8R1.8 NNCC1CCCC1 P11240 [0,1,0,0,0,0|2,0,0]=3 130 B8R1.8 O=CCC1CCCC1 F11683 [0,1,0,0,0,0|1,0,1]=3 131 B8R1.8 OCCC1OCCO1 W16263 [0,1,0,0,0,0|1,0,0]=2 132 B8R1.8 OCC[C@H]1CCCN1 50275 [0,1,0,0,0,0|1,0,0]=2 133 B8R1.8 OCC[C@H]1CCCN1 62964 [0,1,0,0,0,0|1,0,0]=2 134 B8R1.11 C#CC1CCCC1O 30575 [0,1,0,0,0,0|2,0,1]=4 135 B8R1.11 CN1CCC[C@@H]1CBr N13118 [0,1,0,0,0,0|2,0,0]=3 136 B8R1.11 CN1CCC[C@@H]1CCl D83790 [0,1,0,0,0,0|2,0,0]=3 137 B8R1.11 CN1CCC[C@@H]1CN 39178 [0,1,0,0,0,0|2,0,0]=3 138 B8R1.11 CN[C@@H]1CCC[C@@H]1O D96687 [0,1,0,0,0,0|3,0,0]=4 139 B8R1.11 CN[C@@H]1CCC[C@@H]1O D97032 [0,1,0,0,0,0|3,0,0]=4 140 B8R1.11 CN[C@H]1CCC[C@@H]1O D97028 [0,1,0,0,0,0|3,0,0]=4 141 B8R1.11 C[C@H]1CNC[C@@H]1CO C77269 [0,1,0,0,0,0|2,0,0]=3 142 B8R1.11 NCC1CCCC1N F20645 [0,1,0,0,0,0|2,0,0]=3 143 B8R1.11 NC[C@@H]1COC[C@@H]1O P14613 [0,1,0,0,0,0|3,0,0]=4 144 B8R1.11 NC[C@H]1CCCC1=O 33703 [0,1,0,0,0,0|2,0,0]=3 145 B8R1.11 NC[C@H]1COC[C@@H]1O P14625 [0,1,0,0,0,0|3,0,0]=4 146 B8R1.11 O=C1CCC=C1CO E70389 [0,1,0,0,0,0|1,0,2]=4 147 B8R1.11 O=C1CCC[C@@H]1CO C73905 [0,1,0,0,0,0|1,0,0]=2 148 B8R1.11 O=C1NCC[C@@H]1CO P12214 [0,1,0,0,0,0|2,0,0]=3 149 B8R1.11 OCC1CNCC1O 73097 [0,1,0,0,0,0|2,0,0]=3 150 B8R1.52 CC1(C=O)CCCC1 90941 [0,1,0,0,0,0|1,0,2]=4 151 B8R1.52 CC1(CN)CCCC1 72592 [0,1,0,0,0,0|2,0,0]=3 152 B8R1.52 CC1(CO)CCCC1 90940 [0,1,0,0,0,0|1,0,0]=2 153 B8R1.52 C[C@]1(CN)CCCO1 P18524 [0,1,0,0,0,0|1,0,0]=2 154 B8R1.52 C[C@]1(CN)CCNC1 38021 [0,1,0,0,0,0|3,0,0]=4 155 B8R1.52 C[C@]1(CN)CCOC1 38929 [0,1,0,0,0,0|3,0,0]=4 156 B8R1.52 C[C@]1(CO)CCCN1 38943 [0,1,0,0,0,0|1,0,0]=2 157 B8R1.52 C[C@]1(CO)CCNC1 73010 [0,1,0,0,0,0|2,0,0]=3 158 B8R1.52 C[C@]1(CO)CCOC1 P13013 [0,1,0,0,0,0|2,0,0]=3 159 B8R1.52 NCC1(O)CCCC1 37961 [0,1,0,0,0,0|2,0,0]=3 160 B8R1.52 N[C@@]1(CO)CCOC1 P12315 [0,1,0,0,0,0|2,0,0]=3 161 B8R1.52 OC[C@]1(F)CCNC1 73170 [0,1,0,0,0,0|2,0,0]=3 162 B8R1.52 OC[C@]1(O)CCNC1 P16014 [0,1,0,0,0,0|2,0,0]=3 163 B8R1.52 O[C@@]1(CF)CCNC1 37759 [0,1,0,0,0,0|3,0,0]=4 164 B6R0.1 C=CC[C@H](N)CO F16846 [0,0,1,0,0,0|1,0,2]=4 165 B6R0.1 CCC[C@@H](Br)CC D78429 [0,0,1,0,0,0|2,0,0]=3 166 B6R0.1 CCC[C@H](N)CO C13482 [0,0,1,0,0,0|1,0,0]=2 167 B6R0.1 CCNC(=O)CO 79517 [0,0,1,0,0,0|1,0,2]=4 168 B6R0.1 CCO[C@@H](C)CO 91003 [0,0,1,0,0,0|0,0,0]=1 169 B6R0.1 CC[C@H](S)CCO D84734 [0,0,1,0,0,0|2,1,0]=4 170 B6R0.1 COC[C@@H](O)CN 94767 [0,0,1,0,0,0|2,0,0]=3 171 B6R0.1 NCC[C@H](O)CO F51073 [0,0,1,0,0,0|1,0,0]=2 172 B6R0.1 N[C@H](CO)CCO AB10026 [0,0,1,0,0,0|2,0,0]=3 173 B6R0.1 N[C@H](CO)CCO AB10027 [0,0,1,0,0,0|2,0,0]=3 174 B6R0.1 N[C@H](CS)CCS F52529 [0,0,1,0,0,0|2,1,0]=4 175 B6R0.6 BrCCNCCBr 35649 [0,0,1,0,0,0|3,0,0]=4 176 B6R0.6 C#CCCCCI C74272 [0,0,1,0,0,0|2,0,1]=4 177 B6R0.6 C#CCCCCN 79352 [0,0,1,0,0,0|2,0,1]=4 178 B6R0.6 C=CCNCCO W12833 [0,0,1,0,0,0|1,0,2]=4 179 B6R0.6 CC#CCCCO W16152 [0,0,1,0,0,0|1,0,2]=4 180 B6R0.6 CCOCCCBr A11082 [0,0,1,0,0,0|3,0,0]=4 181 B6R0.6 CC\C=C/CCI 98107 [0,0,1,0,0,0|2,0,1]=4 182 B6R0.6 CNCC#CCO 68302 [0,0,1,0,0,0|2,0,1]=4 183 B6R0.6 CNCCCCBr C74879 [0,0,1,0,0,0|3,0,0]=4 184 B6R0.6 CNCCCCN D80538 [0,0,1,0,0,0|3,0,0]=4 185 B6R0.6 ClCCOCCI 12079 [0,0,1,0,0,0|2,0,0]=3 186 B6R0.6 N#CCCCCBr D77353 [0,0,1,0,0,0|2,0,1]=4 187 B6R0.6 NCCCCCBr 97997 [0,0,1,0,0,0|2,0,0]=3 188 B6R0.6 NCCNCCN D81398 [0,0,1,0,0,0|3,0,0]=4 189 B6R0.6 O=NCNCCO D93315 [0,0,1,0,0,0|2,0,1]=4 190 B6R0.6 OCCCCCO D77911 [0,0,1,0,0,0|0,0,0]=1 191 B6R0.6 OCCOCCF AT25497 [0,0,1,0,0,0|1,0,0]=2 192 B6R0.9 CCC(C#N)CC AC1599 [0,0,1,0,0,0|2,0,1]=4 193 B6R0.9 CCC(CBr)CBr W17735 [0,0,1,0,0,0|3,0,0]=4 194 B6R0.9 CC[C@@H](CN)CO Y13480 [0,0,1,0,0,0|2,0,0]=3 195 B6R0.9 CO[C@@H](CN)CO P20679 [0,0,1,0,0,0|1,0,0]=2 196 B8R2.11 N[C@@H]1[C@H]2COC[C@H]21 W12506 [0,0,0,1,0,0|3,0,0]=4 197 B8R2.22 C1CC2CNC2C1 D78832 [0,0,0,1,0,0|2,0,0]=3 198 B8R2.34 C1=C[C@@H]2CN[C@H]1C2 P10331 [0,0,0,1,0,0|2,0,1]=4 199 B8R2.34 C1CC2CC1CN2 D73537 [0,0,0,1,0,0|2,0,0]=3 200 B8R2.34 C1CC2CC1CN2 P10332 [0,0,0,1,0,0|2,0,0]=3 201 B8R2.34 C1CC2CCC1C2 F16610 [0,0,0,1,0,0|2,0,0]=3 202 B8R2.34 C1CC2CCC1N2 39142 [0,0,0,1,0,0|2,0,0]=3 203 B8R2.34 C1OC2CNC1C2 CS1881 [0,0,0,1,0,0|1,0,0]=2 204 B8R2.34 C1OC2CNC1C2 SC1961 [0,0,0,1,0,0|1,0,0]=2 205 B8R2.34 C1O[C@@H]2CN[C@H]1C2 38911 [0,0,0,1,0,0|1,0,0]=2 206 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P12383 [0,0,0,1,0,0|1,0,0]=2 207 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P14495 [0,0,0,1,0,0|1,0,0]=2 208 B8R2.55 C1CC2(CC2)CN1 80452 [0,0,0,1,0,0|3,0,0]=4 209 B8R2.55 C1CC2(CC2)CN1 P11718 [0,0,0,1,0,0|3,0,0]=4 210 B8R2.55 C1CNC2(C1)CC2 AT12544 [0,0,0,1,0,0|2,0,0]=3 211 B6R1.6 BrC[C@H]1CCO1 28585 [0,0,0,0,1,0|1,0,0]=2 212 B6R1.6 BrC[C@H]1CCO1 D97141 [0,0,0,0,1,0|1,0,0]=2 213 B6R1.6 BrC[C@H]1CCO1 P21121 [0,0,0,0,1,0|1,0,0]=2 214 B6R1.6 C#C[C@@H]1CCO1 P18800 [0,0,0,0,1,0|1,0,1]=3 215 B6R1.6 CNC1CCC1 20929 [0,0,0,0,1,0|2,0,0]=3 216 B6R1.6 CSC1CNC1 37205 [0,0,0,0,1,0|3,0,0]=4 217 B6R1.6 FCC1CNC1 86811 [0,0,0,0,1,0|2,0,0]=3 218 B6R1.6 N#CC1CNC1 CS1269 [0,0,0,0,1,0|2,0,1]=4 219 B6R1.6 N#CC1COC1 81313 [0,0,0,0,1,0|2,0,1]=4 220 B6R1.6 N#C[C@@H]1CCN1 P18399 [0,0,0,0,1,0|2,0,1]=4 221 B6R1.6 NCC1CNC1 26899 [0,0,0,0,1,0|2,0,0]=3 222 B6R1.6 NC[C@H]1CCN1 20184 [0,0,0,0,1,0|2,0,0]=3 223 B6R1.6 NC[C@H]1CCO1 P20441 [0,0,0,0,1,0|1,0,0]=2 224 B6R1.6 NNC1CCC1 AB1362 [0,0,0,0,1,0|2,0,0]=3 225 B6R1.6 NNC1CCC1 BL010353 [0,0,0,0,1,0|2,0,0]=3 226 B6R1.6 NNC1CNC1 BL010350 [0,0,0,0,1,0|3,0,0]=4 227 B6R1.6 NNC1COC1 BL010351 [0,0,0,0,1,0|3,0,0]=4 228 B6R1.6 NNC1CSC1 BL010352 [0,0,0,0,1,0|3,0,0]=4 229 B6R1.6 O=CC1COC1 84841 [0,0,0,0,1,0|1,0,2]=4 230 B6R1.6 OCC1CNC1 65945 [0,0,0,0,1,0|1,0,0]=2 231 B6R1.6 OC[C@H]1CCN1 36269 [0,0,0,0,1,0|1,0,0]=2 232 B6R1.6 OC[C@H]1CCN1 38353 [0,0,0,0,1,0|1,0,0]=2 233 B6R1.6 OC[C@H]1CCN1 38354 [0,0,0,0,1,0|1,0,0]=2 234 B6R1.6 OC[C@H]1CCO1 26540 [0,0,0,0,1,0|0,0,0]=1 235 B6R1.6 OC[C@H]1CCO1 AT10832 [0,0,0,0,1,0|0,0,0]=1 236 B6R1.6 OC[C@H]1CCO1 P19736 [0,0,0,0,1,0|0,0,0]=1 237 B8R1.2 BrCC1=CCCCC1 37274 [0,0,0,0,0,1|2,0,1]=4 238 B8R1.2 BrC[C@H]1CCCNC1 AC3913 [0,0,0,0,0,1|2,0,0]=3 239 B8R1.2 BrC[C@H]1CCCOC1 38662 [0,0,0,0,0,1|1,0,0]=2 240 B8R1.2 C#CC1CCNCC1 P12507 [0,0,0,0,0,1|2,0,1]=4 241 B8R1.2 C#CC1CCOCC1 37550 [0,0,0,0,0,1|2,0,1]=4 242 B8R1.2 C#C[C@@H]1CCCCN1 CS2055 [0,0,0,0,0,1|2,0,1]=4 243 B8R1.2 C#C[C@H]1CCCNC1 P11150 [0,0,0,0,0,1|2,0,1]=4 244 B8R1.2 C#C[C@H]1CCCNC1 P11485 [0,0,0,0,0,1|2,0,1]=4 245 B8R1.2 CCC1CCNCC1 W10090 [0,0,0,0,0,1|2,0,0]=3 246 B8R1.2 CC[C@H]1CCCCN1 Y10457 [0,0,0,0,0,1|2,0,0]=3 247 B8R1.2 CC[C@H]1CNCCN1 28366 [0,0,0,0,0,1|2,0,0]=3 248 B8R1.2 CC[C@H]1CNCCN1 I11833 [0,0,0,0,0,1|2,0,0]=3 249 B8R1.2 CC[C@H]1COCCN1 F17630 [0,0,0,0,0,1|2,0,0]=3 250 B8R1.2 CC[C@H]1COCCN1 FD6008 [0,0,0,0,0,1|2,0,0]=3 251 B8R1.2 CNC1CCNCC1 Y10435 [0,0,0,0,0,1|3,0,0]=4 252 B8R1.2 CNC1CCSCC1 D93432 [0,0,0,0,0,1|3,0,0]=4 253 B8R1.2 ClCC1CCNCC1 P17439 [0,0,0,0,0,1|2,0,0]=3 254 B8R1.2 ClCC1CCOCC1 C77585 [0,0,0,0,0,1|2,0,0]=3 255 B8R1.2 ClC[C@H]1CCCCN1 87776 [0,0,0,0,0,1|2,0,0]=3 256 B8R1.2 FCC1CCNCC1 F10330 [0,0,0,0,0,1|2,0,0]=3 257 B8R1.2 FC[C@H]1CCCNC1 24250 [0,0,0,0,0,1|2,0,0]=3 258 B8R1.2 ICC1CCCCC1 AC1131 [0,0,0,0,0,1|2,0,0]=3 259 B8R1.2 IC[C@H]1CCCCO1 P19885 [0,0,0,0,0,1|1,0,0]=2 260 B8R1.2 IC[C@H]1CCCOC1 P20725 [0,0,0,0,0,1|1,0,0]=2 261 B8R1.2 N#CC1CCSCC1 29706 [0,0,0,0,0,1|2,0,1]=4 262 B8R1.2 N#C[C@@H]1CCCCN1 CS1001 [0,0,0,0,0,1|2,0,1]=4 263 B8R1.2 N#C[C@@H]1CCCCN1 P16178 [0,0,0,0,0,1|2,0,1]=4 264 B8R1.2 N#C[C@@H]1CCCCN1 P17459 [0,0,0,0,0,1|2,0,1]=4 265 B8R1.2 N#C[C@@H]1CCCCN1 P17460 [0,0,0,0,0,1|2,0,1]=4 266 B8R1.2 N#C[C@@H]1CCCCO1 W16123 [0,0,0,0,0,1|1,0,1]=3 267 B8R1.2 N#C[C@@H]1CNCCO1 90459 [0,0,0,0,0,1|1,0,1]=3 268 B8R1.2 N#C[C@@H]1CNCCO1 F18970 [0,0,0,0,0,1|1,0,1]=3 269 B8R1.2 N#C[C@@H]1CNCCO1 F18991 [0,0,0,0,0,1|1,0,1]=3 270 B8R1.2 N#C[C@@H]1COCCN1 F17609 [0,0,0,0,0,1|2,0,1]=4 271 B8R1.2 N#C[C@H]1CCCNC1 81492 [0,0,0,0,0,1|2,0,1]=4 272 B8R1.2 N#C[C@H]1CCCNC1 81537 [0,0,0,0,0,1|2,0,1]=4 273 B8R1.2 N#C[C@H]1CCCNC1 P11046 [0,0,0,0,0,1|2,0,1]=4 274 B8R1.2 N#C[C@H]1CCCNC1 P18961 [0,0,0,0,0,1|2,0,1]=4 275 B8R1.2 NCC1CCSCC1 P11855 [0,0,0,0,0,1|2,0,0]=3 276 B8R1.2 NCC1CCSCC1 P17457 [0,0,0,0,0,1|2,0,0]=3 277 B8R1.2 NC[C@H]1CCCOC1 SC1491 [0,0,0,0,0,1|1,0,0]=2 278 B8R1.2 NC[C@H]1COCCO1 39092 [0,0,0,0,0,1|1,0,0]=2 279 B8R1.2 NC[C@H]1COCCO1 39093 [0,0,0,0,0,1|1,0,0]=2 280 B8R1.2 NNC1CCNCC1 BL010349 [0,0,0,0,0,1|3,0,0]=4 281 B8R1.2 NNC1CCOCC1 F51905 [0,0,0,0,0,1|3,0,0]=4 282 B8R1.2 NNC1CCSCC1 BL010348 [0,0,0,0,0,1|3,0,0]=4 283 B8R1.2 NN[C@H]1CCCOC1 P17922 [0,0,0,0,0,1|2,0,0]=3 284 B8R1.2 O=C[C@@H]1CCCCN1 62054 [0,0,0,0,0,1|1,0,2]=4 285 B8R1.2 O=C[C@@H]1CCCCO1 79885 [0,0,0,0,0,1|0,0,2]=3 286 B8R1.2 O=C[C@@H]1COCCO1 D78647 [0,0,0,0,0,1|0,0,2]=3 287 B8R1.2 O=C[C@H]1CCCOC1 79874 [0,0,0,0,0,1|0,0,2]=3 288 B8R1.2 OC[C@H]1CCCNC1 36372 [0,0,0,0,0,1|1,0,0]=2 289 B8R1.2 OC[C@H]1CCCNC1 F14592 [0,0,0,0,0,1|1,0,0]=2 290 B8R1.2 OC[C@H]1CCCNC1 H10949 [0,0,0,0,0,1|1,0,0]=2 291 B8R1.2 OC[C@H]1CCCOC1 38674 [0,0,0,0,0,1|0,0,0]=1 292 B8R1.2 OC[C@H]1CNCCN1 C14871 [0,0,0,0,0,1|1,0,0]=2 293 B8R1.2 OC[C@H]1CNCCN1 I11571 [0,0,0,0,0,1|1,0,0]=2 294 B8R1.2 OC[C@H]1CNCCO1 25692 [0,0,0,0,0,1|0,0,0]=1 295 B8R1.2 OC[C@H]1CNCCO1 SC3851 [0,0,0,0,0,1|0,0,0]=1 296 B8R1.2 OC[C@H]1COCCN1 25689 [0,0,0,0,0,1|1,0,0]=2 297 B8R1.2 OC[C@H]1COCCN1 26203 [0,0,0,0,0,1|1,0,0]=2 298 B8R1.2 OC[C@H]1COCCN1 P15853 [0,0,0,0,0,1|1,0,0]=2 299 B8R1.2 OC[C@H]1COCCO1 Y10090 [0,0,0,0,0,1|0,0,0]=1 300 B8R1.2 OC[C@H]1COCCO1 Y10091 [0,0,0,0,0,1|0,0,0]=1 301 B8R1.2 [C-]#[N+]C1CCOCC1 AC9405 [0,0,0,0,0,1|3,0,0]=4 302 B5R0.1 C=CC[C@H](C)O 71459 [1,0,1,0,0,0|0,0,2]=4 303 B5R0.1 C=CC[C@H](C)O A12634 [1,0,1,0,0,0|0,0,2]=4 304 B5R0.1 CCC[C@H](C)N P14575 [1,0,1,0,0,0|1,0,0]=3 305 B5R0.1 CCC[C@H](C)N Y10887 [1,0,1,0,0,0|1,0,0]=3 306 B5R0.1 CNC[C@H](C)O AC1157 [1,0,1,0,0,0|1,0,0]=3 307 B5R0.1 CNC[C@H](C)O N12528 [1,0,1,0,0,0|1,0,0]=3 308 B5R0.1 COC[C@H](C)Br 78860 [1,0,1,0,0,0|2,0,0]=4 309 B5R0.1 COC[C@H](C)N 25526 [1,0,1,0,0,0|2,0,0]=4 310 B5R0.1 COC[C@H](C)N D95458 [1,0,1,0,0,0|2,0,0]=4 311 B5R0.1 COC[C@H](C)N W17998 [1,0,1,0,0,0|2,0,0]=4 312 B5R0.1 C[C@H](O)CC#N 87623 [1,0,1,0,0,0|1,0,1]=4 313 B5R0.1 C[C@H](O)CCN 83616 [1,0,1,0,0,0|1,0,0]=3 314 B5R0.1 C[C@H](O)CON O10313 [1,0,1,0,0,0|2,0,0]=4 315 B5R0.2 C#CCOCC C90311 [1,0,1,0,0,0|0,0,2]=4 316 B5R0.2 CCCCON 31644 [1,0,1,0,0,0|2,0,0]=4 317 B5R0.2 CNOCCN D97505 [1,0,1,0,0,0|2,0,0]=4 318 B5R0.2 COCCCO D77912 [1,0,1,0,0,0|1,0,0]=3 319 B5R0.2 NCCCCCl F19552 [1,0,1,0,0,0|2,0,0]=4 320 B5R0.2 NNCCCO AB9423 [1,0,1,0,0,0|2,0,0]=4 321 B5R0.2 O=CCCCO 55817 [1,0,1,0,0,0|0,0,2]=4 322 B5R0.3 C=C[C@@H](O)CO 56500 [1,0,1,0,0,0|0,0,2]=4 323 B5R0.3 CC[C@H](C)CN 88665 [1,0,1,0,0,0|1,0,0]=3 324 B5R0.3 CN[C@@H](C)CO AC8719 [1,0,1,0,0,0|1,0,0]=3 325 B5R0.3 CN[C@@H](C)CO C77593 [1,0,1,0,0,0|1,0,0]=3 326 B5R0.3 CN[C@@H](C)CO D80042 [1,0,1,0,0,0|1,0,0]=3 327 B5R0.3 CN[C@@H](C)CO D80344 [1,0,1,0,0,0|1,0,0]=3 328 B5R0.3 CN[C@@H](C)CO D82586 [1,0,1,0,0,0|1,0,0]=3 329 B5R0.3 CO[C@@H](C)CN 91001 [1,0,1,0,0,0|1,0,0]=3 330 B5R0.3 CO[C@@H](C)CO 91002 [1,0,1,0,0,0|0,0,0]=2 331 B5R0.3 C[C@@H](CN)CCl 72948 [1,0,1,0,0,0|2,0,0]=4 332 B5R0.3 C[C@@H](CO)CBr AB3182 [1,0,1,0,0,0|1,0,0]=3 333 B5R0.3 NC[C@H](F)CO 94841 [1,0,1,0,0,0|2,0,0]=4 334 B5R0.3 NC[C@H](F)CO 94845 [1,0,1,0,0,0|2,0,0]=4 335 B5R0.3 NC[C@H](F)CO 94846 [1,0,1,0,0,0|2,0,0]=4 336 B5R0.3 NC[C@H](O)CCl C10413 [1,0,1,0,0,0|2,0,0]=4 337 B5R0.3 NC[C@H](O)CF 94771 [1,0,1,0,0,0|2,0,0]=4 338 B5R0.3 OC[C@H](O)CF 65949 [1,0,1,0,0,0|1,0,0]=3 339 B5R0.3 OC[C@H](O)CF F14582 [1,0,1,0,0,0|1,0,0]=3 340 B5R1.1 C1CNNC1 26256 [2,0,0,0,0,0|2,0,0]=4 341 B5R1.1 C1COCN1 A51210 [2,0,0,0,0,0|1,0,0]=3 342 B7R0.2 C=C[C@@H](O)CC(C)C A12558 [0,1,1,0,0,0|1,0,1]=4 343 B7R0.2 CN(C)C[C@H](O)CO D95190 [0,1,1,0,0,0|1,0,0]=3 344 B7R0.5 CC(C)[C@@H](O)CCN 83602 [0,1,1,0,0,0|2,0,0]=4 345 B7R0.5 CCCC(Br)C(C)Br D81745 [0,1,1,0,0,0|2,0,0]=4 346 B7R0.5 CCC[C@H](O)C(=O)O 77792 [0,1,1,0,0,0|0,0,1]=3 347 B7R0.5 CCOC(=O)[C@H](C)O D75729 [0,1,1,0,0,0|1,0,1]=4 348 B7R0.7 CCC[C@H](Br)CCBr D94373 [0,1,1,0,0,0|2,0,0]=4 349 B7R0.7 CCC[C@H](N)CCO AT20461 [0,1,1,0,0,0|1,0,0]=3 350 B7R0.7 CCC[C@H](N)CCO I11080 [0,1,1,0,0,0|1,0,0]=3 351 B7R0.7 CCC[C@H](N)CCO N12794 [0,1,1,0,0,0|1,0,0]=3 352 B7R0.7 CCOP(C)OCC 28742 [0,1,1,0,0,0|2,0,0]=4 353 B7R0.7 COC[C@@H](N)CCO AT12992 [0,1,1,0,0,0|2,0,0]=4 354 B7R0.10 CC[C@@H](C)[C@@H](N)CO 73347 [0,1,1,0,0,0|1,0,0]=3 355 B7R0.10 COC(=O)[C@@H](O)CO FD9041 [0,1,1,0,0,0|1,0,1]=4 356 B7R0.10 OC[C@H](O)[C@@H](O)CO T72117 [0,1,1,0,0,0|1,0,0]=3 357 B7R0.10 O[C@@H](CS)[C@@H](O)CS T70362 [0,1,1,0,0,0|1,1,0]=4 358 B7R0.11 CC(C)(CO)CCO W16131 [0,1,1,0,0,0|2,0,0]=4 359 B7R0.11 CCO[Si](C)(C)CCl I11069 [0,1,1,0,0,0|1,1,0]=4 360 B7R0.11 COCC(C)(C)CO BL000418 [0,1,1,0,0,0|2,0,0]=4 361 B7R0.12 CCCC(CO)CO AB7729 [0,1,1,0,0,0|0,0,0]=2 362 B7R0.12 CCN[C@@H](CC)CO 29377 [0,1,1,0,0,0|1,0,0]=3 363 B7R0.1 CCCNCCCO AB4057 [0,1,1,0,0,0|1,0,0]=3 364 B7R0.1 CNCCOCCO C70229 [0,1,1,0,0,0|0,0,0]=2 365 B7R0.1 COCCOCCI AT13077 [0,1,1,0,0,0|1,0,0]=3 366 B7R0.1 COCOCCC=O 32199 [0,1,1,0,0,0|1,0,1]=4 367 B7R0.1 FCCCCCCBr A50948 [0,1,1,0,0,0|2,0,0]=4 368 B7R0.1 N#CCCNCCO D94844 [0,1,1,0,0,0|1,0,1]=4 369 B7R0.1 N#CCCOCCO Y11313 [0,1,1,0,0,0|0,0,1]=3 370 B7R0.1 NCCCCCCBr D83295 [0,1,1,0,0,0|2,0,0]=4 371 B7R0.1 NCCCCCCS F31196 [0,1,1,0,0,0|1,1,0]=4 372 B7R0.1 NCCCNCCS W12623 [0,1,1,0,0,0|1,1,0]=4 373 B7R0.1 NCCCOCCO W11222 [0,1,1,0,0,0|0,0,0]=2 374 B7R0.4 CC(C)CCCCBr C74820 [0,1,1,0,0,0|2,0,0]=4 375 B7R0.4 CCCNCC(C)C AC1640 [0,1,1,0,0,0|2,0,0]=4 376 B7R0.4 CCCOCC(=O)O AC1647 [0,1,1,0,0,0|0,0,1]=3 377 B7R0.4 C[C@H](Cl)CCCCCl A12620 [0,1,1,0,0,0|2,0,0]=4 378 B7R0.4 O=C([O-])COCCO A11454 [0,1,1,0,0,0|1,0,1]=4 379 B7R0.15 CC(C)C(CO)CO 73803 [0,1,1,0,0,0|2,0,0]=4 380 B7R0.15 CC[C@@H](CO)C(C)C C74656 [0,1,1,0,0,0|1,0,0]=3 381 B7R0.15 CC[C@H](NC)C(=O)O W18322 [0,1,1,0,0,0|1,0,1]=4 382 B7R0.15 CC[C@H](OC)C(=O)O AC6372 [0,1,1,0,0,0|0,0,1]=3 383 B7R0.15 COC(OC)C(C)C D93459 [0,1,1,0,0,0|2,0,0]=4 384 B7R0.15 COC(OC)[C@H](C)Br AC5914 [0,1,1,0,0,0|2,0,0]=4 385 B7R0.18 COC(C)(CN)OC A10525 [0,1,1,0,0,0|2,0,0]=4 386 B7R1.2 CN1CC[C@H](Br)C1 C14104 [1,1,0,0,0,0|2,0,0]=4 387 B7R1.2 CN1CC[C@H](N)C1 51282 [1,1,0,0,0,0|2,0,0]=4 388 B7R1.2 CN1CC[C@H](N)C1 51289 [1,1,0,0,0,0|2,0,0]=4 389 B7R1.2 CN1CC[C@H](N)C1 FD9067 [1,1,0,0,0,0|2,0,0]=4 390 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13013 [1,1,0,0,0,0|1,0,0]=3 391 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [1,1,0,0,0,0|1,0,1]=4 392 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [1,1,0,0,0,0|1,0,1]=4 393 B7R1.2 C[C@H]1CC[C@@H](C)N1 P17782 [1,1,0,0,0,0|1,0,0]=3 394 B7R1.2 C[C@H]1CC[C@H](C)N1 P19223 [1,1,0,0,0,0|1,0,0]=3 395 B7R1.2 C[C@H]1CNC(=O)O1 90054 [1,1,0,0,0,0|1,0,1]=4 396 B7R1.2 C[C@H]1COC(=O)O1 D77722 [1,1,0,0,0,0|1,0,1]=4 397 B7R1.2 NC1CCC(N)C1 D79385 [1,1,0,0,0,0|2,0,0]=4 398 B7R1.2 NC1CCC(O)C1 21055 [1,1,0,0,0,0|1,0,0]=3 399 B7R1.2 NC1CCC(O)C1 26425 [1,1,0,0,0,0|1,0,0]=3 400 B7R1.2 N[C@@H]1CC[C@H](F)C1 P18588 [1,1,0,0,0,0|2,0,0]=4 401 B7R1.2 N[C@@H]1CC[C@H](F)C1 P20484 [1,1,0,0,0,0|2,0,0]=4 402 B7R1.2 N[C@@H]1CC[C@H](O)C1 27526 [1,1,0,0,0,0|1,0,0]=3 403 B7R1.2 N[C@@H]1CC[C@H](O)C1 38967 [1,1,0,0,0,0|1,0,0]=3 404 B7R1.2 N[C@@H]1CC[C@H](O)C1 72087 [1,1,0,0,0,0|1,0,0]=3 405 B7R1.2 N[C@@H]1CC[C@H](O)C1 72088 [1,1,0,0,0,0|1,0,0]=3 406 B7R1.2 N[C@@H]1CC[C@H](O)C1 72349 [1,1,0,0,0,0|1,0,0]=3 407 B7R1.2 N[C@@H]1CC[C@H](O)C1 W11751 [1,1,0,0,0,0|1,0,0]=3 408 B7R1.2 N[C@@H]1COC(=O)C1 FD1175 [1,1,0,0,0,0|0,0,2]=4 409 B7R1.2 N[C@@H]1COC(=O)C1 W11179 [1,1,0,0,0,0|0,0,2]=4 410 B7R1.2 N[C@H]1CC[C@H](N)C1 F53332 [1,1,0,0,0,0|2,0,0]=4 411 B7R1.2 N[C@H]1CC[C@H](O)C1 27518 [1,1,0,0,0,0|1,0,0]=3 412 B7R1.2 N[C@H]1CC[C@H](O)C1 31093 [1,1,0,0,0,0|1,0,0]=3 413 B7R1.2 N[C@H]1CC[C@H](O)C1 W11748 [1,1,0,0,0,0|1,0,0]=3 414 B7R1.2 O=C1CC[C@H](O)C1 P13127 [1,1,0,0,0,0|1,0,1]=4 415 B7R1.2 O=C1C[C@H](O)CO1 12464 [1,1,0,0,0,0|0,0,2]=4 416 B7R1.2 O[C@@H]1C=C[C@H](O)C1 P10067 [1,1,0,0,0,0|1,0,1]=4 417 B7R1.2 O[C@H]1CC[C@@H](O)C1 P16667 [1,1,0,0,0,0|1,0,0]=3 418 B7R1.4 Br[C@H]1CCC[C@@H]1Br D97021 [1,1,0,0,0,0|2,0,0]=4 419 B7R1.4 CC1CNCC1C P18713 [1,1,0,0,0,0|2,0,0]=4 420 B7R1.4 C[C@@H]1CCC[C@@H]1N 72991 [1,1,0,0,0,0|1,0,0]=3 421 B7R1.4 C[C@@H]1CCC[C@@H]1O 72407 [1,1,0,0,0,0|1,0,0]=3 422 B7R1.4 C[C@@H]1CNC[C@@H]1F 73104 [1,1,0,0,0,0|2,0,0]=4 423 B7R1.4 C[C@@H]1CNC[C@@H]1N F13008 [1,1,0,0,0,0|2,0,0]=4 424 B7R1.4 C[C@@H]1CNC[C@@H]1O 72981 [1,1,0,0,0,0|2,0,0]=4 425 B7R1.4 C[C@H]1CCC[C@@H]1O 71002 [1,1,0,0,0,0|1,0,0]=3 426 B7R1.4 C[C@H]1CNC[C@@H]1O 72668 [1,1,0,0,0,0|2,0,0]=4 427 B7R1.4 C[C@H]1COC[C@@H]1N P16382 [1,1,0,0,0,0|2,0,0]=4 428 B7R1.4 C[C@H]1COC[C@@H]1O 73077 [1,1,0,0,0,0|2,0,0]=4 429 B7R1.4 NC1CCCC1N F16273 [1,1,0,0,0,0|2,0,0]=4 430 B7R1.4 NC1COCC1O O11159 [1,1,0,0,0,0|2,0,0]=4 431 B7R1.4 N[C@@H]1CCC[C@@H]1O P10925 [1,1,0,0,0,0|1,0,0]=3 432 B7R1.4 N[C@@H]1COC[C@@H]1O F53671 [1,1,0,0,0,0|2,0,0]=4 433 B7R1.4 N[C@@H]1COC[C@@H]1O P12686 [1,1,0,0,0,0|2,0,0]=4 434 B7R1.4 N[C@H]1CCC[C@@H]1F P17786 [1,1,0,0,0,0|2,0,0]=4 435 B7R1.4 N[C@H]1CCC[C@@H]1N F16352 [1,1,0,0,0,0|2,0,0]=4 436 B7R1.4 N[C@H]1CCC[C@@H]1O 71753 [1,1,0,0,0,0|1,0,0]=3 437 B7R1.4 N[C@H]1CCC[C@H]1N I12005 [1,1,0,0,0,0|2,0,0]=4 438 B7R1.4 N[C@H]1COC[C@@H]1O 71841 [1,1,0,0,0,0|2,0,0]=4 439 B7R1.4 N[C@H]1COC[C@@H]1O P12486 [1,1,0,0,0,0|2,0,0]=4 440 B7R1.4 N[C@H]1COC[C@@H]1O P15828 [1,1,0,0,0,0|2,0,0]=4 441 B7R1.4 O=C1OCC[C@@H]1O F14291 [1,1,0,0,0,0|0,0,2]=4 442 B7R1.4 O[C@@H]1CNC[C@@H]1F 72988 [1,1,0,0,0,0|2,0,0]=4 443 B7R1.4 O[C@H]1CCC=C1Br D79898 [1,1,0,0,0,0|1,0,1]=4 444 B7R1.4 O[C@H]1CNC[C@@H]1F 38827 [1,1,0,0,0,0|2,0,0]=4 445 B7R1.4 O[C@H]1CNC[C@@H]1F P15834 [1,1,0,0,0,0|2,0,0]=4 446 B7R1.4 O[C@H]1CNC[C@@H]1O 39002 [1,1,0,0,0,0|2,0,0]=4 447 B7R1.4 O[C@H]1CNC[C@@H]1O P15707 [1,1,0,0,0,0|2,0,0]=4 448 B7R1.4 O[C@H]1COC[C@@H]1F 73076 [1,1,0,0,0,0|2,0,0]=4 449 B7R1.4 O[C@H]1COC[C@@H]1O 66690 [1,1,0,0,0,0|2,0,0]=4 450 B7R1.14 CC1(Br)CCCC1 P19649 [1,1,0,0,0,0|1,0,0]=3 451 B7R1.14 CC1(C)CCCN1 71736 [1,1,0,0,0,0|1,0,0]=3 452 B7R1.14 CC1(C)CCCN1 71895 [1,1,0,0,0,0|1,0,0]=3 453 B7R1.14 CC1(C)CCNC1 28371 [1,1,0,0,0,0|2,0,0]=4 454 B7R1.14 CC1(C)COCN1 FD10630 [1,1,0,0,0,0|2,0,0]=4 455 B7R1.14 CC1(N)CCCC1 90423 [1,1,0,0,0,0|1,0,0]=3 456 B7R1.14 C[C@]1(F)CCNC1 P15373 [1,1,0,0,0,0|2,0,0]=4 457 B7R1.14 C[C@]1(N)CCOC1 38927 [1,1,0,0,0,0|2,0,0]=4 458 B7R1.14 C[C@]1(O)CCNC1 D96498 [1,1,0,0,0,0|2,0,0]=4 459 B7R1.14 C[C@]1(O)CCOC1 69114 [1,1,0,0,0,0|2,0,0]=4 460 B7R1.14 O=S1(=O)CCCO1 D77717 [1,1,0,0,0,0|1,0,1]=4 461 B7R1.6 C=CCC1CNC1 P14594 [0,1,0,0,1,0|2,0,0]=4 462 B7R1.6 CCNC1CCC1 W19308 [0,1,0,0,1,0|1,0,0]=3 463 B7R1.6 CCNC1COC1 32797 [0,1,0,0,1,0|2,0,0]=4 464 B7R1.6 CCOC1CNC1 C16603 [0,1,0,0,1,0|2,0,0]=4 465 B7R1.6 CNCC1COC1 32854 [0,1,0,0,1,0|2,0,0]=4 466 B7R1.6 CNC[C@H]1CCO1 D96714 [0,1,0,0,1,0|1,0,0]=3 467 B7R1.6 COCC1CNC1 36064 [0,1,0,0,1,0|1,0,0]=3 468 B7R1.6 COCC1CNC1 37073 [0,1,0,0,1,0|1,0,0]=3 469 B7R1.6 COC[C@H]1CCN1 38829 [0,1,0,0,1,0|1,0,0]=3 470 B7R1.6 COC[C@H]1CCN1 P15803 [0,1,0,0,1,0|1,0,0]=3 471 B7R1.6 N#CCC1CCC1 55430 [0,1,0,0,1,0|1,0,0]=3 472 B7R1.6 N#CCC1CNC1 P14687 [0,1,0,0,1,0|2,0,0]=4 473 B7R1.6 N#CCC1COC1 D79136 [0,1,0,0,1,0|2,0,0]=4 474 B7R1.6 NCCC1CCC1 P10851 [0,1,0,0,1,0|1,0,0]=3 475 B7R1.6 NCCC1COC1 85783 [0,1,0,0,1,0|2,0,0]=4 476 B7R1.6 NNCC1CCC1 P12716 [0,1,0,0,1,0|1,0,0]=3 477 B7R1.6 O=CCC1CCC1 55432 [0,1,0,0,1,0|0,0,1]=3 478 B7R1.6 O=CCC1COC1 CS2316 [0,1,0,0,1,0|1,0,1]=4 479 B7R1.6 OCCC1CCC1 32129 [0,1,0,0,1,0|0,0,0]=2 480 B7R1.6 OCCC1CNC1 P16512 [0,1,0,0,1,0|1,0,0]=3 481 B7R1.6 OCCC1COC1 32759 [0,1,0,0,1,0|1,0,0]=3 482 B7R1.6 OCCN1CCC1 70839 [0,1,0,0,1,0|1,0,0]=3 483 B7R1.6 OCC[C@H]1CCO1 P17680 [0,1,0,0,1,0|0,0,0]=2 484 B7R1.8 CN1CC[C@@H]1CN P15857 [0,1,0,0,1,0|2,0,0]=4 485 B7R1.8 CN1CC[C@@H]1CO 63438 [0,1,0,0,1,0|1,0,0]=3 486 B7R1.8 CN1CC[C@@H]1CO AT17142 [0,1,0,0,1,0|1,0,0]=3 487 B7R1.8 CN1CC[C@@H]1CO P18351 [0,1,0,0,1,0|1,0,0]=3 488 B7R1.8 O=C1CC[C@@H]1CO P13853 [0,1,0,0,1,0|0,0,1]=3 489 B7R1.10 C=C1CC(CO)C1 D79070 [0,1,0,0,1,0|0,0,1]=3 490 B7R1.10 CC1CC(CN)C1 72944 [0,1,0,0,1,0|1,0,0]=3 491 B7R1.10 CN1CC(CN)C1 37075 [0,1,0,0,1,0|2,0,0]=4 492 B7R1.10 CN1CC(CO)C1 P17862 [0,1,0,0,1,0|1,0,0]=3 493 B7R1.10 CNC1CC(C)C1 72947 [0,1,0,0,1,0|2,0,0]=4 494 B7R1.10 CNC1CC(O)C1 37731 [0,1,0,0,1,0|2,0,0]=4 495 B7R1.10 CN[C@H]1C[C@@H](O)C1 P13897 [0,1,0,0,1,0|2,0,0]=4 496 B7R1.10 CN[C@H]1C[C@H](O)C1 38892 [0,1,0,0,1,0|2,0,0]=4 497 B7R1.10 COC1CC(N)C1 37221 [0,1,0,0,1,0|2,0,0]=4 498 B7R1.10 COC1CC(O)C1 R10063 [0,1,0,0,1,0|2,0,0]=4 499 B7R1.10 CO[C@H]1C[C@@H](N)C1 39167 [0,1,0,0,1,0|2,0,0]=4 500 B7R1.10 CO[C@H]1C[C@H](N)C1 39168 [0,1,0,0,1,0|2,0,0]=4 501 B7R1.10 N#CC1CC(I)C1 AT12394 [0,1,0,0,1,0|1,0,1]=4 502 B7R1.10 N#CC1CC(N)C1 37826 [0,1,0,0,1,0|1,0,1]=4 503 B7R1.10 N#C[C@H]1C[C@@H](N)C1 P16656 [0,1,0,0,1,0|1,0,1]=4 504 B7R1.10 N#C[C@H]1C[C@@H](O)C1 39462 [0,1,0,0,1,0|1,0,1]=4 505 B7R1.10 N#C[C@H]1C[C@H](N)C1 P17914 [0,1,0,0,1,0|1,0,1]=4 506 B7R1.10 NCC1CC(F)C1 38649 [0,1,0,0,1,0|1,0,0]=3 507 B7R1.10 NCC1CC(O)C1 37219 [0,1,0,0,1,0|1,0,0]=3 508 B7R1.10 NC[C@H]1C[C@H](O)C1 37659 [0,1,0,0,1,0|1,0,0]=3 509 B7R1.10 N[C@H]1C[C@@H](CO)C1 29808 [0,1,0,0,1,0|0,0,0]=2 510 B7R1.10 N[C@H]1C[C@@H](CO)C1 37494 [0,1,0,0,1,0|0,0,0]=2 511 B7R1.10 N[C@H]1C[C@H](CO)C1 37495 [0,1,0,0,1,0|0,0,0]=2 512 B7R1.10 O=C1CC(CBr)C1 39031 [0,1,0,0,1,0|1,0,1]=4 513 B7R1.10 O=C1CC(CCl)C1 P11243 [0,1,0,0,1,0|1,0,1]=4 514 B7R1.10 O=C1C[C@H](CO)N1 P17668 [0,1,0,0,1,0|1,0,1]=4 515 B7R1.10 OCC1CC(F)C1 72453 [0,1,0,0,1,0|0,0,0]=2 516 B7R1.10 OCC1CC(O)C1 N10548 [0,1,0,0,1,0|0,0,0]=2 517 B7R1.10 O[C@H]1C[C@@H](CF)C1 P21066 [0,1,0,0,1,0|1,0,0]=3 518 B7R1.18 CC(C)C1CNC1 D79219 [0,1,0,0,1,0|2,0,0]=4 519 B7R1.18 C[C@H](N)C1CCC1 93060 [0,1,0,0,1,0|1,0,0]=3 520 B7R1.18 C[C@H](N)C1CCC1 93062 [0,1,0,0,1,0|1,0,0]=3 521 B7R1.18 C[C@H](O)C1COC1 P18451 [0,1,0,0,1,0|1,0,0]=3 522 B7R1.18 FC(F)C1CNC1 P13128 [0,1,0,0,1,0|2,0,0]=4 523 B7R1.18 NC(=O)C1CCC1 20365 [0,1,0,0,1,0|0,0,2]=4 524 B7R1.18 O=C(O)C1COC1 81314 [0,1,0,0,1,0|1,0,1]=4 525 B7R1.18 O=C(O)C1CSC1 P12604 [0,1,0,0,1,0|1,0,1]=4 526 B7R1.18 O=C(O)[C@@H]1CCO1 32900 [0,1,0,0,1,0|0,0,1]=3 527 B7R1.18 O=[N+]([O-])C1CCC1 30647 [0,1,0,0,1,0|1,0,1]=4 528 B7R1.25 CC1(CF)CNC1 D79152 [0,1,0,0,1,0|2,0,0]=4 529 B7R1.25 CC1(CN)CNC1 80498 [0,1,0,0,1,0|2,0,0]=4 530 B7R1.25 CC1(CO)CCC1 90942 [0,1,0,0,1,0|0,0,0]=2 531 B7R1.25 CC1(CO)CNC1 73126 [0,1,0,0,1,0|1,0,0]=3 532 B7R1.25 CCC1(C)CNC1 D79218 [0,1,0,0,1,0|2,0,0]=4 533 B7R1.25 CCC1(F)CNC1 D79682 [0,1,0,0,1,0|2,0,0]=4 534 B7R1.25 CCC1(N)COC1 32880 [0,1,0,0,1,0|2,0,0]=4 535 B7R1.25 CCC1(O)COC1 69107 [0,1,0,0,1,0|2,0,0]=4 536 B7R1.25 C[C@]1(CN)CCO1 D79679 [0,1,0,0,1,0|1,0,0]=3 537 B7R1.25 C[C@]1(CN)CCO1 P20357 [0,1,0,0,1,0|1,0,0]=3 538 B7R1.25 C[C@]1(CO)CCN1 P18401 [0,1,0,0,1,0|1,0,0]=3 539 B7R1.25 FC1(CBr)COC1 32850 [0,1,0,0,1,0|2,0,0]=4 540 B7R1.25 N#CC1(N)CCC1 72155 [0,1,0,0,1,0|1,0,1]=4 541 B7R1.25 N#CC1(O)CCC1 F50564 [0,1,0,0,1,0|1,0,1]=4 542 B7R1.25 NC1(CF)COC1 P18909 [0,1,0,0,1,0|2,0,0]=4 543 B7R1.25 NC1(CO)CCC1 P11244 [0,1,0,0,1,0|0,0,0]=2 544 B7R1.25 NC1(CO)COC1 32838 [0,1,0,0,1,0|1,0,0]=3 545 B7R1.25 NCC1(F)CCC1 85743 [0,1,0,0,1,0|1,0,0]=3 546 B7R1.25 NCC1(F)COC1 32924 [0,1,0,0,1,0|2,0,0]=4 547 B7R1.25 NCC1(O)CCC1 27372 [0,1,0,0,1,0|1,0,0]=3 548 B7R1.25 NCC1(O)COC1 32889 [0,1,0,0,1,0|2,0,0]=4 549 B7R1.25 OC1(CF)CNC1 P18473 [0,1,0,0,1,0|2,0,0]=4 550 B7R1.25 OCC1(F)CCC1 85746 [0,1,0,0,1,0|0,0,0]=2 551 B7R1.25 OCC1(F)COC1 32840 [0,1,0,0,1,0|1,0,0]=3 552 B7R1.25 OCC1(O)CCC1 AT20135 [0,1,0,0,1,0|0,0,0]=2 553 B7R1.25 OCC1(O)CNC1 P15456 [0,1,0,0,1,0|1,0,0]=3 554 B9R1.1 C=C1CCC(CO)CC1 F13032 [0,1,0,0,0,1|1,0,0]=3 555 B9R1.1 CC1CCC(CO)CN1 72671 [0,1,0,0,0,1|1,0,0]=3 556 B9R1.1 CC1CCC(CO)NC1 73032 [0,1,0,0,0,1|1,0,0]=3 557 B9R1.1 CC[C@H]1CC[C@H](O)CC1 F19617 [0,1,0,0,0,1|2,0,0]=4 558 B9R1.1 CN1CC=C(CO)CC1 AC1022 [0,1,0,0,0,1|1,0,1]=4 559 B9R1.1 CN1CCC(CBr)CC1 84194 [0,1,0,0,0,1|2,0,0]=4 560 B9R1.1 CN1CCC(CN)CC1 BL002502 [0,1,0,0,0,1|2,0,0]=4 561 B9R1.1 C[C@@H]1CC[C@H](CO)CN1 P15861 [0,1,0,0,0,1|1,0,0]=3 562 B9R1.1 C[C@@H]1CN[C@@H](CO)CN1 90048 [0,1,0,0,0,1|1,0,0]=3 563 B9R1.1 C[C@@H]1CN[C@@H](CO)CN1 AT10023 [0,1,0,0,0,1|1,0,0]=3 564 B9R1.1 NCC1CCC(=O)CC1 56684 [0,1,0,0,0,1|2,0,0]=4 565 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 P14164 [0,1,0,0,0,1|2,0,0]=4 566 B9R1.1 NC[C@H]1CC[C@H](O)CC1 P14163 [0,1,0,0,0,1|2,0,0]=4 567 B9R1.1 NC[C@H]1CNC(=O)CO1 W10861 [0,1,0,0,0,1|1,0,1]=4 568 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 39277 [0,1,0,0,0,1|1,0,0]=3 569 B9R1.1 O=C1CC[C@H](CO)CN1 C72773 [0,1,0,0,0,1|1,0,1]=4 570 B9R1.1 O=C1CO[C@@H](CO)CN1 AB7325 [0,1,0,0,0,1|0,0,1]=3 571 B9R1.1 O=C1CO[C@@H](CO)CN1 P10704 [0,1,0,0,0,1|0,0,1]=3 572 B9R1.1 O=C1CO[C@@H](CO)CN1 P10705 [0,1,0,0,0,1|0,0,1]=3 573 B9R1.1 OC[C@H]1CC[C@@H](O)CC1 P19128 [0,1,0,0,0,1|1,0,0]=3 574 B9R1.1 OC[C@H]1CC[C@H](O)CC1 T72373 [0,1,0,0,0,1|1,0,0]=3 575 B9R1.2 CC[C@H]1CC(=O)CCO1 73975 [0,1,0,0,0,1|1,0,0]=3 576 B9R1.2 CC[C@H]1CN(C)CCN1 P20253 [0,1,0,0,0,1|2,0,0]=4 577 B9R1.2 CC[C@H]1CN(C)CCN1 P20610 [0,1,0,0,0,1|2,0,0]=4 578 B9R1.2 CN1CCC[C@H](CN)C1 37194 [0,1,0,0,0,1|2,0,0]=4 579 B9R1.2 CN1CCC[C@H](CN)C1 P11114 [0,1,0,0,0,1|2,0,0]=4 580 B9R1.2 CN1CCN[C@@H](CO)C1 P18089 [0,1,0,0,0,1|1,0,0]=3 581 B9R1.2 CN1CCO[C@@H](CN)C1 72736 [0,1,0,0,0,1|1,0,0]=3 582 B9R1.2 CN1CCO[C@@H](CO)C1 77632 [0,1,0,0,0,1|0,0,0]=2 583 B9R1.2 CN1CCO[C@@H](CO)C1 77633 [0,1,0,0,0,1|0,0,0]=2 584 B9R1.2 NC1CCOC(CO)C1 D79017 [0,1,0,0,0,1|0,0,0]=2 585 B9R1.2 N[C@H]1CCC[C@H](CO)C1 D79005 [0,1,0,0,0,1|1,0,0]=3 586 B9R1.2 O=C1CCC[C@H](CO)C1 Y10198 [0,1,0,0,0,1|1,0,0]=3 587 B9R1.2 O=C1CCC[C@H](CO)N1 Y14667 [0,1,0,0,0,1|1,0,0]=3 588 B9R1.2 O=C1COC[C@H](CO)N1 O11304 [0,1,0,0,0,1|1,0,1]=4 589 B9R1.2 O=C1C[C@@H](CO)CCN1 37567 [0,1,0,0,0,1|1,0,1]=4 590 B9R1.2 OCC1CNCC(F)C1 72782 [0,1,0,0,0,1|1,0,0]=3 591 B9R1.6 CC(=O)[C@@H]1CNCCO1 90399 [0,1,0,0,0,1|0,0,2]=4 592 B9R1.6 CC(C)C1CCNCC1 T72018 [0,1,0,0,0,1|2,0,0]=4 593 B9R1.6 CC(C)[C@@H]1CNCCO1 36446 [0,1,0,0,0,1|1,0,0]=3 594 B9R1.6 CC(C)[C@@H]1CNCCO1 C72697 [0,1,0,0,0,1|1,0,0]=3 595 B9R1.6 C[C@H](N)C1CCCCC1 N11990 [0,1,0,0,0,1|2,0,0]=4 596 B9R1.6 C[C@H](N)C1CCOCC1 52485 [0,1,0,0,0,1|2,0,0]=4 597 B9R1.6 C[C@H](N)C1CCOCC1 52508 [0,1,0,0,0,1|2,0,0]=4 598 B9R1.6 C[C@H](N)C1CCOCC1 53162 [0,1,0,0,0,1|2,0,0]=4 599 B9R1.6 C[C@H](O)C1CCNCC1 50851 [0,1,0,0,0,1|1,0,0]=3 600 B9R1.6 C[C@H](O)C1CCOCC1 72533 [0,1,0,0,0,1|1,0,0]=3 601 B9R1.6 C[C@H](O)C1CCOCC1 D96636 [0,1,0,0,0,1|1,0,0]=3 602 B9R1.6 FC(F)C1CCNCC1 38478 [0,1,0,0,0,1|2,0,0]=4 603 B9R1.6 FC(F)[C@H]1CCCNC1 S11388 [0,1,0,0,0,1|2,0,0]=4 604 B9R1.6 O=C(O)C1CCSCC1 24425 [0,1,0,0,0,1|1,0,1]=4 605 B9R1.6 O=C(O)C1SCCCS1 W18220 [0,1,0,0,0,1|0,1,1]=4 606 B9R1.6 O=C(O)[C@@H]1CCCCO1 P15808 [0,1,0,0,0,1|0,0,1]=3 607 B9R1.6 O=C(O)[C@@H]1CCCCO1 P16420 [0,1,0,0,0,1|0,0,1]=3 608 B9R1.6 O=C(O)[C@@H]1CNCCN1 P16892 [0,1,0,0,0,1|1,0,1]=4 609 B9R1.6 O=C(O)[C@@H]1CNCCO1 77638 [0,1,0,0,0,1|0,0,1]=3 610 B9R1.6 O=C(O)[C@@H]1CNCCO1 F18966 [0,1,0,0,0,1|0,0,1]=3 611 B9R1.6 O=C(O)[C@@H]1CNCCO1 F19034 [0,1,0,0,0,1|0,0,1]=3 612 B9R1.6 O=C(O)[C@@H]1CNCCS1 F52105 [0,1,0,0,0,1|0,1,1]=4 613 B9R1.6 O=C(O)[C@@H]1COCCN1 24948 [0,1,0,0,0,1|1,0,1]=4 614 B9R1.6 O=C(O)[C@@H]1COCCN1 70235 [0,1,0,0,0,1|1,0,1]=4 615 B9R1.6 O=C(O)[C@@H]1COCCN1 70713 [0,1,0,0,0,1|1,0,1]=4 616 B9R1.6 O=C(O)[C@@H]1COCCO1 F31034 [0,1,0,0,0,1|0,0,1]=3 617 B9R1.6 O=C(O)[C@@H]1COCCO1 F31049 [0,1,0,0,0,1|0,0,1]=3 618 B9R1.6 O=C(O)[C@@H]1CSCCN1 66696 [0,1,0,0,0,1|1,0,1]=4 619 B9R1.6 O=C(O)[C@@H]1CSCCN1 77693 [0,1,0,0,0,1|1,0,1]=4 620 B9R1.6 O=C(O)[C@H]1CCCSC1 37673 [0,1,0,0,0,1|0,1,1]=4 621 B9R1.6 O=C(O)[C@H]1NCCCS1 C76501 [0,1,0,0,0,1|0,1,1]=4 622 B9R1.8 BrCCC1CCNCC1 AC8208 [0,1,0,0,0,1|2,0,0]=4 623 B9R1.8 BrCCC1CCOCC1 56518 [0,1,0,0,0,1|2,0,0]=4 624 B9R1.8 BrCCN1CCCCO1 72888 [0,1,0,0,0,1|2,0,0]=4 625 B9R1.8 CCO[C@@H]1CNCCO1 Y10945 [0,1,0,0,0,1|1,0,0]=3 626 B9R1.8 CNCC1CCCCC1 F20557 [0,1,0,0,0,1|2,0,0]=4 627 B9R1.8 CNCC1CCNCC1 28113 [0,1,0,0,0,1|2,0,0]=4 628 B9R1.8 CNC[C@H]1CCCOC1 P11000 [0,1,0,0,0,1|1,0,0]=3 629 B9R1.8 CNC[C@H]1CCCOC1 P16260 [0,1,0,0,0,1|1,0,0]=3 630 B9R1.8 CNC[C@H]1CNCCO1 AB1528 [0,1,0,0,0,1|1,0,0]=3 631 B9R1.8 CNC[C@H]1COCCO1 AC1133 [0,1,0,0,0,1|1,0,0]=3 632 B9R1.8 CNC[C@H]1COCCO1 F31295 [0,1,0,0,0,1|1,0,0]=3 633 B9R1.8 CNC[C@H]1COCCO1 F51993 [0,1,0,0,0,1|1,0,0]=3 634 B9R1.8 CNC[C@H]1COCCO1 F51998 [0,1,0,0,0,1|1,0,0]=3 635 B9R1.8 COC[C@H]1CCCCN1 39467 [0,1,0,0,0,1|1,0,0]=3 636 B9R1.8 COC[C@H]1CCCCN1 71896 [0,1,0,0,0,1|1,0,0]=3 637 B9R1.8 COC[C@H]1CCCNC1 F11112 [0,1,0,0,0,1|1,0,0]=3 638 B9R1.8 COC[C@H]1CNCCO1 77670 [0,1,0,0,0,1|0,0,0]=2 639 B9R1.8 COC[C@H]1CNCCO1 77672 [0,1,0,0,0,1|0,0,0]=2 640 B9R1.8 COC[C@H]1COCCN1 77667 [0,1,0,0,0,1|1,0,0]=3 641 B9R1.8 COC[C@H]1COCCN1 77668 [0,1,0,0,0,1|1,0,0]=3 642 B9R1.8 COC[C@H]1COCCN1 77669 [0,1,0,0,0,1|1,0,0]=3 643 B9R1.8 ClCCC1CCNCC1 AC3007 [0,1,0,0,0,1|2,0,0]=4 644 B9R1.8 N#CCC1CCOCC1 H10074 [0,1,0,0,0,1|2,0,0]=4 645 B9R1.8 N#CC[C@H]1CNCCN1 P18202 [0,1,0,0,0,1|2,0,0]=4 646 B9R1.8 N#CC[C@H]1CNCCN1 P19845 [0,1,0,0,0,1|2,0,0]=4 647 B9R1.8 NCCC1CCCCC1 24486 [0,1,0,0,0,1|2,0,0]=4 648 B9R1.8 NCCC1CCCCC1 55664 [0,1,0,0,0,1|2,0,0]=4 649 B9R1.8 NCCC1CCOCC1 71435 [0,1,0,0,0,1|2,0,0]=4 650 B9R1.8 NCCC1CCSCC1 AC3550 [0,1,0,0,0,1|2,0,0]=4 651 B9R1.8 NCCN1CCCCO1 72735 [0,1,0,0,0,1|2,0,0]=4 652 B9R1.8 NNCC1CCOCC1 P12620 [0,1,0,0,0,1|2,0,0]=4 653 B9R1.8 O=CCC1CCCCC1 11388 [0,1,0,0,0,1|1,0,1]=4 654 B9R1.8 OCCC1CCOCC1 62381 [0,1,0,0,0,1|1,0,0]=3 655 B9R1.8 OCCN1CCSCC1 O10852 [0,1,0,0,0,1|2,0,0]=4 656 B9R1.8 OCC[C@H]1CCCCN1 62347 [0,1,0,0,0,1|1,0,0]=3 657 B9R1.8 OCC[C@H]1CCCCN1 88407 [0,1,0,0,0,1|1,0,0]=3 658 B9R1.8 OCC[C@H]1CCCCN1 F30243 [0,1,0,0,0,1|1,0,0]=3 659 B9R1.8 OCC[C@H]1CCCNC1 W17542 [0,1,0,0,0,1|1,0,0]=3 660 B9R1.8 OCC[C@H]1CNCCN1 27755 [0,1,0,0,0,1|1,0,0]=3 661 B9R1.8 OCC[C@H]1CNCCO1 F13466 [0,1,0,0,0,1|0,0,0]=2 662 B9R1.15 CC1CCCCC1CN 72191 [0,1,0,0,0,1|2,0,0]=4 663 B9R1.15 CC1CCCNC1CO 72650 [0,1,0,0,0,1|1,0,0]=3 664 B9R1.15 CC[C@@H]1NCCCC1=O 63470 [0,1,0,0,0,1|2,0,0]=4 665 B9R1.15 CC[C@H]1CNCCN1C D83449 [0,1,0,0,0,1|2,0,0]=4 666 B9R1.15 CC[C@H]1CNCCN1C D83450 [0,1,0,0,0,1|2,0,0]=4 667 B9R1.15 CN1CCCC[C@@H]1CBr Y13498 [0,1,0,0,0,1|2,0,0]=4 668 B9R1.15 CN1CCCC[C@@H]1CCl F11618 [0,1,0,0,0,1|2,0,0]=4 669 B9R1.15 CN1CCCC[C@@H]1CN C72724 [0,1,0,0,0,1|2,0,0]=4 670 B9R1.15 CN1CCCC[C@@H]1CO O10154 [0,1,0,0,0,1|1,0,0]=3 671 B9R1.15 CN1CCCC[C@@H]1CO O10190 [0,1,0,0,0,1|1,0,0]=3 672 B9R1.15 CN1CCNC[C@@H]1CO D85973 [0,1,0,0,0,1|1,0,0]=3 673 B9R1.15 CN1CCOC[C@@H]1CO 77628 [0,1,0,0,0,1|1,0,0]=3 674 B9R1.15 CN1CCOC[C@@H]1CO 77629 [0,1,0,0,0,1|1,0,0]=3 675 B9R1.15 CN1CCOC[C@@H]1CO W17675 [0,1,0,0,0,1|1,0,0]=3 676 B9R1.15 CO[C@H]1COCC[C@@H]1N 37650 [0,1,0,0,0,1|2,0,0]=4 677 B9R1.15 CO[C@H]1COCC[C@@H]1N 37651 [0,1,0,0,0,1|2,0,0]=4 678 B9R1.15 CO[C@H]1COCC[C@@H]1N 37652 [0,1,0,0,0,1|2,0,0]=4 679 B9R1.15 CO[C@H]1COCC[C@H]1N 37649 [0,1,0,0,0,1|2,0,0]=4 680 B9R1.15 NC[C@@H]1CCNC[C@@H]1O P20455 [0,1,0,0,0,1|2,0,0]=4 681 B9R1.15 NC[C@H]1CCNC[C@@H]1O P16383 [0,1,0,0,0,1|2,0,0]=4 682 B9R1.15 N[C@H]1CCCC[C@H]1CO P19621 [0,1,0,0,0,1|1,0,0]=3 683 B9R1.15 OCC1=C(Br)CCCC1 AC8357 [0,1,0,0,0,1|1,0,1]=4 684 B9R1.15 OCC1CCNCC1O 72831 [0,1,0,0,0,1|1,0,0]=3 685 B9R1.15 OCC1CNCCC1O 73026 [0,1,0,0,0,1|1,0,0]=3 686 B9R1.15 OC[C@@H]1CCNC[C@@H]1F P14143 [0,1,0,0,0,1|1,0,0]=3 687 B9R1.118 CC1(CO)CCNCC1 26607 [0,1,0,0,0,1|1,0,0]=3 688 B9R1.118 CC1(CO)CCOCC1 31610 [0,1,0,0,0,1|1,0,0]=3 689 B9R1.118 CCC1(N)CCCCC1 21224 [0,1,0,0,0,1|2,0,0]=4 690 B9R1.118 CCC1(N)CCOCC1 P16087 [0,1,0,0,0,1|2,0,0]=4 691 B9R1.118 C[C@@]1(C#N)CNCCO1 F17640 [0,1,0,0,0,1|1,0,1]=4 692 B9R1.118 C[C@]1(CO)CCCNC1 38434 [0,1,0,0,0,1|1,0,0]=3 693 B9R1.118 C[C@]1(CO)CNCCN1 W17124 [0,1,0,0,0,1|1,0,0]=3 694 B9R1.118 FC1(CBr)CCOCC1 P18901 [0,1,0,0,0,1|2,0,0]=4 695 B9R1.118 NC1(CO)CCNCC1 P19134 [0,1,0,0,0,1|1,0,0]=3 696 B9R1.118 NC1(CO)CCOCC1 30407 [0,1,0,0,0,1|1,0,0]=3 697 B9R1.118 NC1(CO)CCSCC1 AC1096 [0,1,0,0,0,1|1,0,0]=3 698 B9R1.118 NCC1(F)CCCCC1 85745 [0,1,0,0,0,1|2,0,0]=4 699 B9R1.118 NCC1(F)CCOCC1 38680 [0,1,0,0,0,1|2,0,0]=4 700 B9R1.118 NCC1(O)CCOCC1 27391 [0,1,0,0,0,1|2,0,0]=4 701 B9R1.118 OC1(CF)CCNCC1 38477 [0,1,0,0,0,1|2,0,0]=4 702 B9R1.118 OCC1(F)CCNCC1 37479 [0,1,0,0,0,1|1,0,0]=3 703 B9R1.118 OCC1(F)CCOCC1 38679 [0,1,0,0,0,1|1,0,0]=3 704 B9R1.118 OCC1(O)CCNCC1 37483 [0,1,0,0,0,1|1,0,0]=3 705 B9R1.118 OCC1(O)CCNCC1 70872 [0,1,0,0,0,1|1,0,0]=3 706 B9R1.118 OC[C@]1(O)CCCNC1 38750 [0,1,0,0,0,1|1,0,0]=3 707 B9R1.7 CN1CC[C@H](CCO)C1 37198 [0,2,0,0,0,0|2,0,0]=4 708 B9R1.7 COC[C@@H]1C[C@H](O)CN1 P20748 [0,2,0,0,0,0|1,0,0]=3 709 B9R1.21 OCC1CCC(CO)N1 CS1569 [0,2,0,0,0,0|1,0,0]=3 710 B9R1.22 CN1C[C@@H](F)C[C@H]1CO D97026 [0,2,0,0,0,0|1,0,0]=3 711 B9R1.22 CN1C[C@@H](O)C[C@@H]1CO P11483 [0,2,0,0,0,0|1,0,0]=3 712 B9R1.23 CN1C[C@H](CO)OC1=O 56525 [0,2,0,0,0,0|1,0,1]=4 713 B9R1.23 CN1C[C@H](CO)OC1=O 56533 [0,2,0,0,0,0|1,0,1]=4 714 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63832 [0,2,0,0,0,0|1,0,1]=4 715 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 63834 [0,2,0,0,0,0|1,0,1]=4 716 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 D96519 [0,2,0,0,0,0|1,0,1]=4 717 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)O1 W10212 [0,2,0,0,0,0|0,0,1]=3 718 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 BL001270 [0,2,0,0,0,0|1,0,1]=4 719 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 72571 [0,2,0,0,0,0|1,0,1]=4 720 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 D87633 [0,2,0,0,0,0|1,0,1]=4 721 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 P13660 [0,2,0,0,0,0|1,0,1]=4 722 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 P16415 [0,2,0,0,0,0|1,0,1]=4 723 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 BL001269 [0,2,0,0,0,0|1,0,1]=4 724 B9R1.35 O=C(O)C1CCC(O)C1 D70618 [0,2,0,0,0,0|1,0,1]=4 725 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 37985 [0,2,0,0,0,0|1,0,1]=4 726 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 78342 [0,2,0,0,0,0|1,0,1]=4 727 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 P12517 [0,2,0,0,0,0|1,0,1]=4 728 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 P15651 [0,2,0,0,0,0|1,0,1]=4 729 B9R1.132 CN1C(=O)CC[C@@H]1CO 94188 [0,2,0,0,0,0|1,0,1]=4 730 B9R1.132 CN1C(=O)CC[C@@H]1CO 94193 [0,2,0,0,0,0|1,0,1]=4 731 B9R1.132 CN1C(=O)CC[C@@H]1CO S11484 [0,2,0,0,0,0|1,0,1]=4 732 B9R1.132 CN1CC[C@H](CO)C1=O N12775 [0,2,0,0,0,0|2,0,0]=4 733 B9R1.133 CC1(C)CC[C@H](CO)O1 72662 [0,2,0,0,0,0|0,0,0]=2 734 B9R1.133 CC1(C)CC[C@H](CO)O1 93336 [0,2,0,0,0,0|0,0,0]=2 735 B9R1.133 CC1(C)CN[C@@H](CO)C1 50816 [0,2,0,0,0,0|1,0,0]=3 736 B9R1.133 CC1(C)CN[C@@H](CO)C1 F12515 [0,2,0,0,0,0|1,0,0]=3 737 B9R1.133 CC1(C)OC[C@H](CBr)O1 RB3372 [0,2,0,0,0,0|2,0,0]=4 738 B9R1.133 CC1(C)OC[C@H](CI)O1 O10179 [0,2,0,0,0,0|2,0,0]=4 739 B9R1.133 CC1(C)OC[C@H](CN)O1 C14057 [0,2,0,0,0,0|2,0,0]=4 740 B9R1.133 CC1(C)OC[C@H](CN)O1 D75607 [0,2,0,0,0,0|2,0,0]=4 741 B9R1.133 NC[C@H]1CCC(F)(F)C1 80342 [0,2,0,0,0,0|2,0,0]=4 742 B9R1.133 NC[C@H]1CCC(F)(F)C1 P11835 [0,2,0,0,0,0|2,0,0]=4 743 B9R1.133 O=S1(=O)CC[C@H](CO)C1 AT13046 [0,2,0,0,0,0|2,0,0]=4 744 B9R1.133 OC[C@H]1CC(F)(F)CN1 72832 [0,2,0,0,0,0|1,0,0]=3 745 B9R1.133 OC[C@H]1CC(F)(F)CN1 P13607 [0,2,0,0,0,0|1,0,0]=3 746 B9R1.133 OC[C@H]1CCC(F)(F)C1 87611 [0,2,0,0,0,0|1,0,0]=3 747 B9R1.11 C#C[C@@H](O)C1CCCC1 AC1315 [0,2,0,0,0,0|1,0,0]=3 748 B9R1.11 COC(=O)[C@@H]1CCCN1 D82335 [0,2,0,0,0,0|1,0,1]=4 749 B9R1.11 NC(CO)C1CCOC1 32326 [0,2,0,0,0,0|2,0,0]=4 750 B9R1.11 O=C(CBr)C1CCCC1 P20314 [0,2,0,0,0,0|2,0,0]=4 751 B9R1.11 O=C(CO)N1CCCC1 W15877 [0,2,0,0,0,0|2,0,0]=4 752 B9R1.19 CC(C)(O)[C@@H]1CCCN1 39110 [0,2,0,0,0,0|1,0,0]=3 753 B9R1.19 CC(C)(O)[C@@H]1CCCN1 W10126 [0,2,0,0,0,0|1,0,0]=3 754 B9R1.19 CC(C)(O)[C@H]1CCNC1 31496 [0,2,0,0,0,0|2,0,0]=4 755 B9R1.19 CC(C)(O)[C@H]1CCNC1 32228 [0,2,0,0,0,0|2,0,0]=4 756 B9R1.19 CC(C)(O)[C@H]1CCNC1 P12206 [0,2,0,0,0,0|2,0,0]=4 757 B9R1.19 CC(C)(O)[C@H]1CCNC1 P12596 [0,2,0,0,0,0|2,0,0]=4 758 B9R1.19 O=S(=O)(O)C1CCCC1 P15473 [0,2,0,0,0,0|2,0,0]=4 759 B9R1.41 CN1CCC[C@H]1C(=O)O C74581 [0,2,0,0,0,0|1,0,1]=4 760 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O C74853 [0,2,0,0,0,0|1,0,1]=4 761 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O C76009 [0,2,0,0,0,0|1,0,1]=4 762 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O F19718 [0,2,0,0,0,0|1,0,1]=4 763 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13996 [0,2,0,0,0,0|1,0,1]=4 764 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O C10521 [0,2,0,0,0,0|1,0,1]=4 765 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O 35596 [0,2,0,0,0,0|1,0,1]=4 766 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O 89327 [0,2,0,0,0,0|1,0,1]=4 767 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P14663 [0,2,0,0,0,0|1,0,1]=4 768 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P15465 [0,2,0,0,0,0|1,0,1]=4 769 B9R1.163 CC1(C(=O)O)CCCC1 D78698 [0,2,0,0,0,0|1,0,1]=4 770 B9R1.163 O=C(O)C1(F)CCCC1 85749 [0,2,0,0,0,0|1,0,1]=4 771 B9R1.12 OCCOC1CCCC1 31903 [0,2,0,0,0,0|1,0,0]=3 772 B9R1.13 CC(=O)O[C@@H]1CCCO1 D94546 [0,2,0,0,0,0|0,0,2]=4 773 B9R1.13 CN(C)C[C@H]1CCCN1 C78068 [0,2,0,0,0,0|2,0,0]=4 774 B9R1.13 CN(C)C[C@H]1CCCN1 P10914 [0,2,0,0,0,0|2,0,0]=4 775 B9R1.13 CN(C)C[C@H]1CCCN1 P12523 [0,2,0,0,0,0|2,0,0]=4 776 B9R1.13 CN(C)C[C@H]1CCCN1 P14326 [0,2,0,0,0,0|2,0,0]=4 777 B9R1.13 CN(C)C[C@H]1CCCO1 70867 [0,2,0,0,0,0|1,0,0]=3 778 B9R1.13 O=C(O)C[C@H]1CCCN1 70865 [0,2,0,0,0,0|1,0,0]=3 779 B9R1.13 O=C(O)C[C@H]1CCCN1 F11179 [0,2,0,0,0,0|1,0,0]=3 780 B9R1.13 O=C(O)C[C@H]1CCCN1 F12356 [0,2,0,0,0,0|1,0,0]=3 781 B9R1.13 O=C(O)C[C@H]1CCCN1 P10210 [0,2,0,0,0,0|1,0,0]=3 782 B9R1.13 O=C(O)C[C@H]1CCNC1 50100 [0,2,0,0,0,0|2,0,0]=4 783 B9R1.13 O=C(O)C[C@H]1CCNC1 P10779 [0,2,0,0,0,0|2,0,0]=4 784 B9R1.13 O=C(O)C[C@H]1CCOC1 68888 [0,2,0,0,0,0|2,0,0]=4 785 B9R1.13 O=C(O)C[C@H]1CCOC1 68890 [0,2,0,0,0,0|2,0,0]=4 786 B9R1.33 CN1CCC[C@@H]1CCN P10542 [0,2,0,0,0,0|2,0,0]=4 787 B9R1.33 CN1CCC[C@@H]1CCO 27869 [0,2,0,0,0,0|1,0,0]=3 788 B9R1.33 CN1CCC[C@@H]1CCO 27876 [0,2,0,0,0,0|1,0,0]=3 789 B9R1.33 CNC[C@H]1CCCN1C D82894 [0,2,0,0,0,0|2,0,0]=4 790 B9R1.33 CNC[C@H]1CCCN1C P16259 [0,2,0,0,0,0|2,0,0]=4 791 B9R1.33 COC[C@H]1CCCN1N 70039 [0,2,0,0,0,0|1,0,0]=3 792 B9R1.33 COC[C@H]1CCCN1N 70044 [0,2,0,0,0,0|1,0,0]=3 793 B9R1.134 CC1(CCN)OCCO1 53392 [0,2,0,0,0,0|2,0,0]=4 794 B9R1.134 CNCC1(C)OCCO1 W15942 [0,2,0,0,0,0|2,0,0]=4 795 B9R1.134 N#CCC1(N)CCCC1 F30400 [0,2,0,0,0,0|2,0,0]=4 796 B9R1.204 BrCC1(CBr)OCCO1 75294 [0,2,0,0,0,0|2,0,0]=4 797 B9R1.204 N#CC1(CN)CCCC1 72979 [0,2,0,0,0,0|2,0,0]=4 798 B9R1.204 OCC1(CO)CCCC1 A50570 [0,2,0,0,0,0|1,0,0]=3 799 B7R1.3 C[C@H]1CCCCN1 C73894 [0,0,1,1,0,0|2,0,0]=4 800 B7R1.3 C[C@H]1CCCNC1 36405 [0,0,1,1,0,0|2,0,0]=4 801 B7R1.3 C[C@H]1CNCCO1 24564 [0,0,1,1,0,0|1,0,0]=3 802 B7R1.3 C[C@H]1CNCCO1 27729 [0,0,1,1,0,0|1,0,0]=3 803 B7R1.3 C[C@H]1CNCCO1 F13460 [0,0,1,1,0,0|1,0,0]=3 804 B7R1.3 C[C@H]1CNCCO1 P11013 [0,0,1,1,0,0|1,0,0]=3 805 B7R1.3 C[C@H]1COCCN1 72593 [0,0,1,1,0,0|1,0,0]=3 806 B7R1.3 F[C@H]1CCCNC1 37161 [0,0,1,1,0,0|2,0,0]=4 807 B7R1.3 F[C@H]1CCCNC1 37162 [0,0,1,1,0,0|2,0,0]=4 808 B7R1.3 N[C@H]1CCCNC1 C72133 [0,0,1,1,0,0|2,0,0]=4 809 B7R1.3 N[C@H]1CCCOC1 F10442 [0,0,1,1,0,0|1,0,0]=3 810 B7R1.3 O[C@@H]1CNCCO1 26254 [0,0,1,1,0,0|2,0,0]=4 811 B7R1.3 O[C@H]1CCCOC1 P10754 [0,0,1,1,0,0|0,0,0]=2 812 B7R1.3 O[C@H]1CCCOC1 P10755 [0,0,1,1,0,0|0,0,0]=2 813 B7R1.3 S[C@H]1CCCNC1 P11853 [0,0,1,1,0,0|1,1,0]=4 814 B7R1.9 NCC1CC1CO C14991 [0,0,1,1,0,0|2,0,0]=4 815 B7R1.9 OC[C@H]1C[C@H]1CO P16470 [0,0,1,1,0,0|2,0,0]=4 816 B7R1.21 CCOC1(O)CC1 O10402 [0,0,1,1,0,0|2,0,0]=4 817 B7R1.22 N[C@@H](CO)C1CC1 N11217 [0,0,1,1,0,0|1,0,0]=3 818 B7R1.22 N[C@@H](CO)C1CC1 P18914 [0,0,1,1,0,0|1,0,0]=3 819 B7R1.22 N[C@@H](CO)C1CC1 Y14567 [0,0,1,1,0,0|1,0,0]=3 820 B7R1.22 O=C(CO)C1CC1 E72699 [0,0,1,1,0,0|0,0,2]=4 821 B7R1.7 C=CCC[C@H]1CO1 61994 [0,0,1,1,0,0|1,0,1]=4 822 B7R1.7 OCCCC1CC1 F52480 [0,0,1,1,0,0|1,0,0]=3 823 B7R1.24 C1CNCCOC1 80062 [0,0,1,1,0,0|1,0,0]=3 824 B7R1.29 CCC1(CN)CC1 W19007 [0,0,1,1,0,0|2,0,0]=4 825 B7R1.29 COC1(CO)CC1 92149 [0,0,1,1,0,0|0,0,0]=2 826 B7R1.29 N#CC1(CO)CC1 80646 [0,0,1,1,0,0|2,0,0]=4 827 B7R1.29 OCC1(CF)CC1 32156 [0,0,1,1,0,0|2,0,0]=4 828 B7R2.11 C1NC2CC1C2 37897 [1,0,0,1,0,0|1,0,0]=3 829 B7R2.13 C1CC2CC2N1 33368 [1,0,0,1,0,0|1,0,0]=3 830 B7R2.13 C1NCC2CC12 80426 [1,0,0,1,0,0|2,0,0]=4 831 B7R2.16 C1CC12CNC2 87106 [0,0,0,1,1,0|2,0,0]=4 832 B9R2.49 C1CC2CCC1CN2 20492 [0,0,0,1,0,1|2,0,0]=4 833 B9R2.49 C1CC2CCC1CN2 38592 [0,0,0,1,0,1|2,0,0]=4 834 B9R2.49 C1CC2CNC1CN2 30821 [0,0,0,1,0,1|2,0,0]=4 835 B9R2.49 C1C[C@@H]2CN[C@H]1CO2 P14533 [0,0,0,1,0,1|1,0,0]=3 836 B9R2.53 OC1[C@@H]2CNC[C@H]1C2 D97015 [0,0,0,1,0,1|1,0,0]=3 837 B9R2.56 OCC12CNCC1C2 38677 [0,0,0,1,0,1|1,0,0]=3 838 B9R2.56 OCC12COCC1C2 D79110 [0,0,0,1,0,1|0,0,0]=2 839 B9R2.65 OCC1C2COCC12 69809 [0,0,0,1,0,1|1,0,0]=3 840 B9R2.65 OC[C@@H]1[C@@H]2COC[C@@H]21 P14535 [0,0,0,1,0,1|1,0,0]=3 841 B9R2.65 OC[C@@H]1[C@H]2CNC[C@H]21 37491 [0,0,0,1,0,1|1,0,0]=3 842 B9R2.65 OC[C@H]1[C@@H]2COC[C@H]12 37929 [0,0,0,1,0,1|1,0,0]=3 843 B9R2.68 C1CC2CCC(C1)N2 P12684 [0,0,0,1,0,1|2,0,0]=4 844 B9R2.68 C1CC2CCC(C2)N1 N13361 [0,0,0,1,0,1|2,0,0]=4 845 B9R2.68 C1CC2CNCC1C2 F53590 [0,0,0,1,0,1|2,0,0]=4 846 B9R2.68 C1CC2CNCC1O2 64984 [0,0,0,1,0,1|1,0,0]=3 847 B9R2.68 C1CC2COCC1N2 P12236 [0,0,0,1,0,1|2,0,0]=4 848 B9R2.68 C1CN2CCC(C2)N1 38913 [0,0,0,1,0,1|2,0,0]=4 849 B9R2.174 C1CCC2(CC2)NC1 82073 [0,0,0,1,0,1|2,0,0]=4 850 B9R2.174 C1CNC2(CC2)CN1 38355 [0,0,0,1,0,1|2,0,0]=4 851 B9R2.174 C1CNC2(CC2)CN1 82062 [0,0,0,1,0,1|2,0,0]=4 852 B9R2.174 C1CNCC2(C1)CC2 85765 [0,0,0,1,0,1|2,0,0]=4 853 B9R2.174 C1COC2(CC2)CN1 80461 [0,0,0,1,0,1|1,0,0]=3 854 B9R2.39 CN1C[C@@H]2C[C@H]1CN2 33334 [0,1,0,1,0,0|2,0,0]=4 855 B9R2.39 CN1C[C@@H]2C[C@H]1CN2 38366 [0,1,0,1,0,0|2,0,0]=4 856 B9R2.39 CN1C[C@@H]2C[C@H]1CN2 P13880 [0,1,0,1,0,0|2,0,0]=4 857 B9R2.39 FC1CC2CNC1C2 P20401 [0,1,0,1,0,0|2,0,0]=4 858 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 F16498 [0,1,0,1,0,0|2,0,0]=4 859 B9R2.39 O=C1CC2CC1CN2 D84847 [0,1,0,1,0,0|1,0,1]=4 860 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 I11656 [0,1,0,1,0,0|1,0,1]=4 861 B9R2.39 OC1CC2CC1CN2 P15330 [0,1,0,1,0,0|1,0,0]=3 862 B9R2.39 OC1CC2CNC1C2 P20346 [0,1,0,1,0,0|1,0,0]=3 863 B9R2.39 O[C@H]1C[C@H]2CC[C@@H]1C2 P19938 [0,1,0,1,0,0|1,0,0]=3 864 B9R2.110 NC12CCC(CC1)C2 W16245 [0,1,0,1,0,0|2,0,0]=4 865 B9R2.139 C[C@@H]1CNC2(CC2)C1 84543 [0,1,0,1,0,0|2,0,0]=4 866 B9R2.139 N[C@H]1CCC2(CC2)C1 D84821 [0,1,0,1,0,0|2,0,0]=4 867 B9R2.2 C1CN[C@H](C2CC2)C1 85767 [0,1,0,1,0,0|2,0,0]=4 868 B9R2.3 C1CC2CNCC2O1 81212 [0,1,0,1,0,0|1,0,0]=3 869 B9R2.3 C1C[C@H]2CNC[C@@H]2C1 P20905 [0,1,0,1,0,0|2,0,0]=4 870 B9R2.3 C1NCC2COCC12 37833 [0,1,0,1,0,0|2,0,0]=4 871 B9R2.3 C1NCC2COCC12 84715 [0,1,0,1,0,0|2,0,0]=4 872 B9R2.3 C1NC[C@@H]2COC[C@H]12 FD6066 [0,1,0,1,0,0|2,0,0]=4 873 B9R2.3 C1NC[C@H]2COC[C@H]12 P20901 [0,1,0,1,0,0|2,0,0]=4 874 B9R2.173 C1CC2(CCO2)CN1 39215 [0,1,0,1,0,0|2,0,0]=4 875 B9R2.173 C1CC2(CN1)COC2 37137 [0,1,0,1,0,0|2,0,0]=4 876 B9R2.173 C1CC2(CN1)COC2 84049 [0,1,0,1,0,0|2,0,0]=4 877 B9R2.173 C1CCC2(C1)CNC2 33446 [0,1,0,1,0,0|2,0,0]=4 878 B9R2.173 C1CCC2(C1)CNC2 39199 [0,1,0,1,0,0|2,0,0]=4 879 B9R2.173 C1CNC2(C1)CCC2 39212 [0,1,0,1,0,0|2,0,0]=4 880 B9R2.173 C1CNC2(C1)COC2 32856 [0,1,0,1,0,0|1,0,0]=3 881 B9R2.173 C1CNC2(C1)COC2 39216 [0,1,0,1,0,0|1,0,0]=3 882 B9R2.173 C1COC2(C1)CNC2 W13909 [0,1,0,1,0,0|1,0,0]=3 883 B9R2.173 C1C[C@@]2(CCO2)CN1 32848 [0,1,0,1,0,0|2,0,0]=4 884 B9R2.5 O=C1CCCC12CC2 F51719 [0,1,0,1,0,0|2,0,0]=4 885 B5R1.2 C[C@H]1CCN1 98100 [1,0,0,0,1,0|1,0,0]=3 886 B5R1.2 C[C@H]1CCN1 P21034 [1,0,0,0,1,0|1,0,0]=3 887 B5R1.2 ClC1CCC1 T70092 [1,0,0,0,1,0|1,0,0]=3 888 B5R1.2 ClC1CNC1 37968 [1,0,0,0,1,0|2,0,0]=4 889 B5R1.2 ClC1COC1 CS1986 [1,0,0,0,1,0|2,0,0]=4 890 B5R1.2 FC1CNC1 SC2901 [1,0,0,0,1,0|2,0,0]=4 891 B5R1.2 IC1CCC1 P17114 [1,0,0,0,1,0|1,0,0]=3 892 B5R1.2 NC1CSC1 39038 [1,0,0,0,1,0|2,0,0]=4 893 B5R1.2 SC1CNC1 38596 [1,0,0,0,1,0|1,1,0]=4 894 B5R1.2 SC1COC1 32902 [1,0,0,0,1,0|1,1,0]=4 895 B5R1.3 ICC1CC1 P19124 [0,0,0,0,2,0|1,0,0]=3 896 B5R1.3 NNC1CC1 26649 [0,0,0,0,2,0|2,0,0]=4 897 B5R1.3 NNC1CC1 BL010354 [0,0,0,0,2,0|2,0,0]=4 898 B9R1.89 OC[C@H]1CCCCCN1 C12372 [0,0,0,0,0,2|1,0,0]=3 899 B9R1.89 OC[C@H]1CCCCNC1 P12855 [0,0,0,0,0,2|1,0,0]=3 900 B9R1.89 OC[C@H]1CNCCCO1 32212 [0,0,0,0,0,2|0,0,0]=2 901 B9R1.89 OC[C@H]1CNCCCO1 53535 [0,0,0,0,0,2|0,0,0]=2