0 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 SPC-h148 [0,0,0,1,0,0|3,0,0]=4 1 B8R1.1 OC[C@@H]1C[C@H](O)CN1 SPC-t928 [0,0,0,1,0,0|3,0,0]=4 2 B8R1.1 OC[C@H]1C[C@H](O)CN1 SPC-r289 [0,0,0,1,0,0|3,0,0]=4 3 B8R1.2 BrCC1CCNCC1 SPC-j960 [0,0,0,1,0,0|3,0,0]=4 4 B8R1.2 BrCC1CCOCC1 SPC-g566 [0,0,0,1,0,0|2,0,0]=3 5 B8R1.2 C#CC1CCOCC1 SPC-h622 [0,0,0,1,0,0|1,0,2]=4 6 B8R1.2 CNC1CCNCC1 SPC-q226 [0,0,0,1,0,0|3,0,0]=4 7 B8R1.2 CNC1CCOCC1 SPC-j064 [0,0,0,1,0,0|2,0,0]=3 8 B8R1.2 COC1CCNCC1 SPC-g777 [0,0,0,1,0,0|3,0,0]=4 9 B8R1.2 COC1CCNCC1 SPC-n150 [0,0,0,1,0,0|3,0,0]=4 10 B8R1.2 CSC1CCNCC1 SPC-g968 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.2 ClCC1CCNCC1 SPC-s961 [0,0,0,1,0,0|3,0,0]=4 12 B8R1.2 FCC1CCNCC1 SPC-n102 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.2 ICC1CCOCC1 SPC-g906 [0,0,0,1,0,0|2,0,0]=3 14 B8R1.2 N#CC1CCOCC1 SPC-g531 [0,0,0,1,0,0|2,0,1]=4 15 B8R1.2 NCC1CCOCC1 SPC-g253 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.2 NCC1CCSCC1 SPC-j796 [0,0,0,1,0,0|2,1,0]=4 17 B8R1.2 NCC1CCSCC1 SPC-t703 [0,0,0,1,0,0|2,1,0]=4 18 B8R1.2 NNC1CCOCC1 SPC-m554 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.2 OCC1CCNCC1 SPC-g261 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.2 OCC1CCOCC1 SPC-g300 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.8 NNCC1CCCC1 SPC-v623 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.8 OCC[C@H]1CCCN1 SPC-u092 [0,0,0,1,0,0|2,0,0]=3 23 B8R1.8 OCC[C@H]1CCNC1 SPC-m119 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.82 COC1(CCN)CC1 SPC-v584 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.82 N#CC1(CCO)CC1 SPC-m906 [0,0,0,1,0,0|2,0,1]=4 26 B5R0.1 C[C@@H](N)CCO SPC-g658 [2,0,0,0,0,0|2,0,0]=4 27 B5R0.1 C[C@H](N)CCO SPC-n760 [2,0,0,0,0,0|2,0,0]=4 28 B7R1.1 BrC[C@H]1CCOC1 SPC-h480 [1,0,0,1,0,0|2,0,0]=4 29 B7R1.1 CC[C@@H]1CCNC1 SPC-m807 [1,0,0,1,0,0|2,0,0]=4 30 B7R1.1 CC[C@H]1CCNC1 SPC-m813 [1,0,0,1,0,0|2,0,0]=4 31 B7R1.1 CN[C@@H]1CCOC1 SPC-u441 [1,0,0,1,0,0|2,0,0]=4 32 B7R1.1 CN[C@H]1CCOC1 SPC-j154 [1,0,0,1,0,0|2,0,0]=4 33 B7R1.1 CN[C@H]1CCOC1 SPC-t742 [1,0,0,1,0,0|2,0,0]=4 34 B7R1.1 IC[C@H]1CCOC1 SPC-j340 [1,0,0,1,0,0|2,0,0]=4 35 B7R1.1 NC[C@@H]1CCOC1 SPC-j343 [1,0,0,1,0,0|2,0,0]=4 36 B7R1.1 NC[C@@H]1CCOC1 SPC-j344 [1,0,0,1,0,0|2,0,0]=4 37 B7R1.1 NC[C@H]1CCOC1 SPC-g368 [1,0,0,1,0,0|2,0,0]=4 38 B7R1.1 NC[C@H]1CCOC1 SPC-g369 [1,0,0,1,0,0|2,0,0]=4 39 B7R1.1 NC[C@H]1CCOC1 SPC-j341 [1,0,0,1,0,0|2,0,0]=4 40 B7R1.1 OC[C@@H]1CCOC1 SPC-h734 [1,0,0,1,0,0|2,0,0]=4 41 B7R1.1 OC[C@H]1CCOC1 SPC-j339 [1,0,0,1,0,0|2,0,0]=4 42 B7R1.1 OC[C@H]1CCOC1 SPC-n475 [1,0,0,1,0,0|2,0,0]=4 43 B7R1.2 CN1CC[C@@H](N)C1 SPC-j082 [1,0,0,1,0,0|1,0,0]=3 44 B7R1.2 CN1CC[C@@H](O)C1 SPC-j193 [1,0,0,1,0,0|0,0,0]=2 45 B7R1.2 CN1CC[C@H](N)C1 SPC-j081 [1,0,0,1,0,0|1,0,0]=3 46 B7R1.2 CN1CC[C@H](N)C1 SPC-m812 [1,0,0,1,0,0|1,0,0]=3 47 B7R1.2 CN1CC[C@H](O)C1 SPC-j192 [1,0,0,1,0,0|0,0,0]=2 48 B7R1.2 C[C@@H]1C[C@H](O)CN1 SPC-q565 [1,0,0,1,0,0|2,0,0]=4 49 B7R1.2 C[C@H]1C[C@@H](O)CN1 SPC-r278 [1,0,0,1,0,0|2,0,0]=4 50 B7R1.2 C[C@H]1C[C@H](O)CN1 SPC-n775 [1,0,0,1,0,0|2,0,0]=4 51 B7R1.2 NC1CCC(O)C1 SPC-k139 [1,0,0,1,0,0|2,0,0]=4 52 B7R1.2 N[C@@H]1CC[C@@H](O)C1 SPC-m760 [1,0,0,1,0,0|2,0,0]=4 53 B7R1.2 N[C@@H]1CC[C@H](O)C1 SPC-m283 [1,0,0,1,0,0|2,0,0]=4 54 B7R1.2 N[C@H]1CC[C@@H](O)C1 SPC-m402 [1,0,0,1,0,0|2,0,0]=4 55 B7R1.2 N[C@H]1CC[C@H](O)C1 SPC-m401 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.2 O=C1CC[C@H](O)C1 SPC-q537 [1,0,0,1,0,0|2,0,0]=4 57 B7R1.2 OC1CCC(O)C1 SPC-n357 [1,0,0,1,0,0|2,0,0]=4 58 B7R1.2 O[C@@H]1CC[C@@H](O)C1 SPC-s639 [1,0,0,1,0,0|2,0,0]=4 59 B7R1.2 O[C@H]1CC[C@@H](O)C1 SPC-q785 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.3 BrC1CCOCC1 SPC-g434 [1,0,0,1,0,0|2,0,0]=4 61 B7R1.3 C=C1CCOCC1 SPC-m646 [1,0,0,1,0,0|1,0,1]=4 62 B7R1.3 IC1CCOCC1 SPC-g782 [1,0,0,1,0,0|2,0,0]=4 63 B7R1.3 NC1CCOCC1 SPC-g166 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.3 O=C1CCOCC1 SPC-g072 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.3 OC1CCOCC1 SPC-g695 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.6 NCCC1CCC1 SPC-p217 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.6 NCCN1CCC1 SPC-k453 [1,0,0,1,0,0|1,0,0]=3 68 B7R1.6 OCCC1CNC1 SPC-a312 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.6 OCCC1CNC1 SPC-q679 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.6 OCCC1COC1 SPC-a030 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.6 OCC[C@H]1CCO1 SPC-t605 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.8 CN1CC[C@@H]1CN SPC-n649 [1,0,0,1,0,0|1,0,0]=3 73 B7R1.8 CN1CC[C@@H]1CN SPC-n832 [1,0,0,1,0,0|1,0,0]=3 74 B7R1.8 CN1CC[C@@H]1CO SPC-v650 [1,0,0,1,0,0|0,0,0]=2 75 B7R1.8 CN1CC[C@H]1CN SPC-n833 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.8 O=C1CC[C@@H]1CO SPC-p096 [1,0,0,1,0,0|2,0,0]=4 77 B7R1.10 CCN1CC(N)C1 SPC-i103 [1,0,0,1,0,0|1,0,0]=3 78 B7R1.10 CCN1CC(O)C1 SPC-i868 [1,0,0,1,0,0|0,0,0]=2 79 B7R1.10 CN[C@H]1C[C@H](O)C1 SPC-i936 [1,0,0,1,0,0|2,0,0]=4 80 B7R1.10 NCC1CC(O)C1 SPC-i622 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.10 NC[C@H]1C[C@@H](O)C1 SPC-h960 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.10 NC[C@H]1C[C@H](O)C1 SPC-h558 [1,0,0,1,0,0|2,0,0]=4 83 B7R1.10 OCC1CC(O)C1 SPC-v198 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.21 CC1(CCO)CC1 SPC-p066 [1,0,0,1,0,0|1,0,0]=3 85 B7R1.21 OCCC1(O)CC1 SPC-t472 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.25 C[C@]1(CO)CCO1 SPC-v359 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.29 NCC1(CO)CC1 SPC-u240 [1,0,0,1,0,0|2,0,0]=4 88 B9R1.1 CCN1CCC(O)CC1 SPC-q210 [0,1,0,1,0,0|0,0,0]=2 89 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 SPC-m222 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.1 CN[C@H]1CC[C@H](O)CC1 SPC-m223 [0,1,0,1,0,0|2,0,0]=4 91 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 SPC-p950 [0,1,0,1,0,0|2,0,0]=4 92 B9R1.1 NC[C@H]1CC[C@H](O)CC1 SPC-j864 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.12 COCC[C@H]1CCCN1 SPC-s798 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.12 ClCCCN1CCCC1 SPC-s727 [0,1,0,1,0,0|1,0,0]=3 95 B9R1.12 NCCCC1CCCC1 SPC-u103 [0,1,0,1,0,0|2,0,0]=4 96 B9R1.70 CCN(CC)C1CNC1 SPC-s445 [0,1,0,1,0,0|1,0,0]=3 97 B9R1.6 CC(=O)C1CCOCC1 SPC-k706 [0,1,0,1,0,0|1,0,1]=4 98 B9R1.6 CC(=O)N1CCNCC1 SPC-n912 [0,1,0,1,0,0|1,0,1]=4 99 B9R1.6 CC(C)N1CCNCC1 SPC-g741 [0,1,0,1,0,0|1,0,0]=3 100 B9R1.35 CC(=O)N1CC[C@@H](O)C1 SPC-k184 [0,1,0,1,0,0|0,0,1]=3 101 B9R1.35 CC(=O)N1CC[C@H](N)C1 SPC-u453 [0,1,0,1,0,0|1,0,1]=4 102 B9R1.35 CC(C)N1CC[C@H](N)C1 SPC-u743 [0,1,0,1,0,0|1,0,0]=3 103 B9R1.96 CCN1CC[C@H]1C(=O)O SPC-p134 [0,1,0,1,0,0|0,0,1]=3 104 B9R1.2 CCN1CCNC(=O)C1 SPC-t007 [0,1,0,1,0,0|0,0,2]=4 105 B9R1.2 COC1CCCC(O)C1 SPC-q771 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 SPC-v039 [0,1,0,1,0,0|2,0,0]=4 107 B9R1.13 O=C(O)CC1CCCC1 SPC-k446 [0,1,0,1,0,0|1,0,1]=4 108 B9R1.14 CCN1CCC[C@@H]1CN SPC-g176 [0,1,0,1,0,0|1,0,0]=3 109 B9R1.14 CC[C@H]1CNC[C@@H]1CO SPC-v487 [0,1,0,1,0,0|1,0,0]=3 110 B9R1.7 CN1CC[C@H](CCN)C1 SPC-p069 [0,1,0,1,0,0|2,0,0]=4 111 B9R1.7 CN1CC[C@H](CCO)C1 SPC-j220 [0,1,0,1,0,0|1,0,0]=3 112 B9R1.8 C#CCN1CCOCC1 SPC-q935 [0,1,0,1,0,0|0,0,1]=3 113 B9R1.8 CNCC1CCCCC1 SPC-v381 [0,1,0,1,0,0|2,0,0]=4 114 B9R1.8 CNCC1CCOCC1 SPC-j065 [0,1,0,1,0,0|1,0,0]=3 115 B9R1.8 COCC1CCNCC1 SPC-h312 [0,1,0,1,0,0|2,0,0]=4 116 B9R1.8 ClCCN1CCCCC1 SPC-r409 [0,1,0,1,0,0|1,0,0]=3 117 B9R1.8 NCCN1CCCCC1 SPC-g106 [0,1,0,1,0,0|1,0,0]=3 118 B9R1.8 OCCC1CCNCC1 SPC-u123 [0,1,0,1,0,0|1,0,0]=3 119 B9R1.8 OCCC1CCOCC1 SPC-h171 [0,1,0,1,0,0|1,0,0]=3 120 B9R1.8 OCC[C@@H]1CCCCN1 SPC-s721 [0,1,0,1,0,0|1,0,0]=3 121 B9R1.175 COC1(CCO)COC1 SPC-u299 [0,1,0,1,0,0|2,0,0]=4 122 B9R1.175 NCC1(CCO)CCC1 SPC-a194 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.175 NCC1(CCO)COC1 SPC-a039 [0,1,0,1,0,0|2,0,0]=4 124 B9R1.118 CC1(CN)CCOCC1 SPC-h577 [0,1,0,1,0,0|2,0,0]=4 125 B9R1.118 CCC1(N)CCOCC1 SPC-p229 [0,1,0,1,0,0|1,0,0]=3 126 B9R1.118 CCC1(O)CCNCC1 SPC-k144 [0,1,0,1,0,0|2,0,0]=4 127 B9R1.118 FC1(CBr)CCOCC1 SPC-v206 [0,1,0,1,0,0|2,0,0]=4 128 B9R1.118 NC1(CO)CCOCC1 SPC-m016 [0,1,0,1,0,0|2,0,0]=4 129 B9R1.118 NC1(CO)CCOCC1 SPC-m017 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.118 NCC1(F)CCOCC1 SPC-m019 [0,1,0,1,0,0|2,0,0]=4 131 B9R1.118 NCC1(O)CCOCC1 SPC-h886 [0,1,0,1,0,0|2,0,0]=4 132 B9R1.118 OCC1(F)CCOCC1 SPC-m018 [0,1,0,1,0,0|2,0,0]=4 133 B9R1.134 OCC[C@]1(O)CCNC1 SPC-o018 [0,1,0,1,0,0|2,0,0]=4 134 B9R2.39 OC1CC2CC1CN2 SPC-j874 [0,0,0,2,0,0|2,0,0]=4 135 B9R2.39 OC1CC2CNC1C2 SPC-m956 [0,0,0,2,0,0|2,0,0]=4 136 B9R2.68 C1CN2CCC(C2)N1 SPC-m216 [0,0,0,2,0,0|1,0,0]=3 137 B9R2.110 NC12CCC(CC1)C2 SPC-a480a [0,0,0,2,0,0|2,0,0]=4 138 B9R2.174 C1CC2(CCN1)CC2 SPC-b077a [0,0,0,2,0,0|2,0,0]=4 139 B9R2.173 C1CCC2(C1)CCN2 SPC-b260 [0,0,0,2,0,0|2,0,0]=4 140 B9R2.173 C1CCC2(C1)CCN2 SPC-b260 [0,0,0,2,0,0|2,0,0]=4 141 B9R2.173 C1C[C@@]2(CCO2)CN1 SPC-b099 [0,0,0,2,0,0|2,0,0]=4