0 B7R1.3 BrC1=CCCCC1 Z0360 [0,0,0,0,0,0|1,0,2]=3 1 B7R1.3 BrC1=CCOCC1 V4625 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.3 BrC1=CCSCC1 Z8895 [0,0,0,0,0,0|2,0,2]=4 3 B7R1.3 C=C1CCOCC1 4680AB [0,0,0,0,0,0|2,0,1]=3 4 B7R1.3 CC1C=CCCC1 6090AL [0,0,0,0,0,0|1,0,2]=3 5 B7R1.3 CC1CCCCN1 7117AB [0,0,0,0,0,0|2,0,0]=2 6 B7R1.3 CC1CCOCO1 8171AJ [0,0,0,0,0,0|3,0,0]=3 7 B7R1.3 CC1CNCCO1 8808AB [0,0,0,0,0,0|3,0,0]=3 8 B7R1.3 C[C@@H]1CCCNC1 Z4441 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.3 FC1CCCCC1 1850AE [0,0,0,0,0,0|1,0,0]=1 10 B7R1.3 FC1CCCNC1 0816AQ [0,0,0,0,0,0|2,0,0]=2 11 B7R1.3 IC1CCNCC1 Z9919 [0,0,0,0,0,0|2,0,0]=2 12 B7R1.3 NC1CC=CCC1 3966AJ [0,0,0,0,0,0|0,0,2]=2 13 B7R1.3 NC1CCCOC1 0386AC [0,0,0,0,0,0|1,0,0]=1 14 B7R1.3 N[C@@H]1CCCNC1 X9699 [0,0,0,0,0,0|1,0,0]=1 15 B7R1.3 N[C@H]1CCCNC1 Y4134 [0,0,0,0,0,0|1,0,0]=1 16 B7R1.3 O=S1CCNCC1 V7654 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.3 ON1CCCCC1 W6467 [0,0,0,0,0,0|2,0,0]=2 18 B7R1.3 S=C1NCCCS1 5563AE [0,0,0,0,0,0|3,0,1]=4 19 B6R1.1 C1=NCCCN1 0674AQ [1,0,0,0,0,0|2,0,1]=4 20 B6R1.1 C1CCONC1 9605AH [1,0,0,0,0,0|2,0,0]=3 21 B6R1.1 C1COCCO1 7285AL [1,0,0,0,0,0|2,0,0]=3 22 B6R1.1 C1CSCCN1 8883AB [1,0,0,0,0,0|2,0,0]=3 23 B8R1.2 BrC=C1CCCCC1 0651AQ [0,1,0,0,0,0|1,0,1]=3 24 B8R1.2 BrCC1CCCCN1 4115AB [0,1,0,0,0,0|2,0,0]=3 25 B8R1.2 BrCC1CCNCC1 X0255 [0,1,0,0,0,0|2,0,0]=3 26 B8R1.2 C#CC1CCOCC1 0859AD [0,1,0,0,0,0|2,0,0]=3 27 B8R1.2 C=CC1CCCCC1 Z3463 [0,1,0,0,0,0|1,0,0]=2 28 B8R1.2 CCC1CNCCN1 W6296 [0,1,0,0,0,0|3,0,0]=4 29 B8R1.2 CCC1CNCCN1 Y7494 [0,1,0,0,0,0|3,0,0]=4 30 B8R1.2 CCC1CNCCO1 Z8593 [0,1,0,0,0,0|3,0,0]=4 31 B8R1.2 CC[C@@H]1CNCCN1 9227AJ [0,1,0,0,0,0|3,0,0]=4 32 B8R1.2 CC[C@@H]1COCCN1 1582AC [0,1,0,0,0,0|3,0,0]=4 33 B8R1.2 CC[C@H]1CNCCN1 5419AA [0,1,0,0,0,0|3,0,0]=4 34 B8R1.2 CC[C@H]1COCCN1 X3457 [0,1,0,0,0,0|3,0,0]=4 35 B8R1.2 CNC1CCCNC1 7535AA [0,1,0,0,0,0|1,0,0]=2 36 B8R1.2 CNC1CCCOC1 4420AJ [0,1,0,0,0,0|1,0,0]=2 37 B8R1.2 CNC1CCNCC1 V0325 [0,1,0,0,0,0|1,0,0]=2 38 B8R1.2 COC1CCCCC1 7515AL [0,1,0,0,0,0|1,0,0]=2 39 B8R1.2 CSC1CCNCC1 W4370 [0,1,0,0,0,0|2,0,0]=3 40 B8R1.2 FCC1CCCCN1 1886AF [0,1,0,0,0,0|2,0,0]=3 41 B8R1.2 FCC1CCNCC1 9762AE [0,1,0,0,0,0|2,0,0]=3 42 B8R1.2 ICC1CCNCC1 6189AJ [0,1,0,0,0,0|2,0,0]=3 43 B8R1.2 N#CC1=CCCCC1 0160AQ [0,1,0,0,0,0|0,0,3]=4 44 B8R1.2 N#CC1CC=CCC1 6461AL [0,1,0,0,0,0|0,0,3]=4 45 B8R1.2 N#CC1CCCCN1 W6222 [0,1,0,0,0,0|1,0,1]=3 46 B8R1.2 N#CC1CCCNC1 W8248 [0,1,0,0,0,0|1,0,1]=3 47 B8R1.2 N#CC1CCNCC1 W4760 [0,1,0,0,0,0|1,0,1]=3 48 B8R1.2 N#CC1CCSCC1 0101AB [0,1,0,0,0,0|1,0,1]=3 49 B8R1.2 N#CC1CNCCN1 W4048 [0,1,0,0,0,0|2,0,1]=4 50 B8R1.2 N#CC1CNCCO1 3567AA [0,1,0,0,0,0|2,0,1]=4 51 B8R1.2 N#CC1COCCN1 6801AC [0,1,0,0,0,0|2,0,1]=4 52 B8R1.2 N#CN1CCCCC1 1396AQ [0,1,0,0,0,0|1,0,1]=3 53 B8R1.2 N#C[C@@H]1CNCCN1 3771AA [0,1,0,0,0,0|2,0,1]=4 54 B8R1.2 NCC1=CCCCC1 3737AB [0,1,0,0,0,0|0,0,2]=3 55 B8R1.2 NCC1CCCCN1 8197AB [0,1,0,0,0,0|1,0,0]=2 56 B8R1.2 NCC1CCCCO1 Y9814 [0,1,0,0,0,0|1,0,0]=2 57 B8R1.2 NCC1CCCNC1 1145AC [0,1,0,0,0,0|1,0,0]=2 58 B8R1.2 NCC1CCCOC1 W8070 [0,1,0,0,0,0|1,0,0]=2 59 B8R1.2 NCC1COCCO1 9635AH [0,1,0,0,0,0|2,0,0]=3 60 B8R1.2 NC[C@@H]1COCCO1 8541AH [0,1,0,0,0,0|2,0,0]=3 61 B8R1.2 NNC1CCNCC1 2019AE [0,1,0,0,0,0|1,0,0]=2 62 B8R1.2 O=CC1CCCCN1 X3865 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.2 O=CC1CCCNC1 4398AB [0,1,0,0,0,0|2,0,0]=3 64 B8R1.2 O=CC1CCNCC1 0201AP [0,1,0,0,0,0|2,0,0]=3 65 B8R1.2 O=CC1CCNCC1 Y9263 [0,1,0,0,0,0|2,0,0]=3 66 B8R1.2 O=CC1CCSCC1 Y9262 [0,1,0,0,0,0|2,0,0]=3 67 B8R1.2 O=NN1CCOCC1 8616AL [0,1,0,0,0,0|2,0,1]=4 68 B8R1.2 OCC1CCCNC1 W3153 [0,1,0,0,0,0|2,0,0]=3 69 B8R1.2 OCC1CCOCO1 6434AB [0,1,0,0,0,0|3,0,0]=4 70 B8R1.2 OCC1CNCCN1 4453AJ [0,1,0,0,0,0|3,0,0]=4 71 B8R1.2 OCC1CNCCN1 X9517 [0,1,0,0,0,0|3,0,0]=4 72 B8R1.2 OCC1COCCO1 9399AD [0,1,0,0,0,0|3,0,0]=4 73 B8R1.2 OC[C@@H]1CCCNC1 W5857 [0,1,0,0,0,0|2,0,0]=3 74 B8R1.2 OC[C@@H]1CNCCN1 W3264 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.2 OC[C@@H]1COCCO1 8542AH [0,1,0,0,0,0|3,0,0]=4 76 B8R1.2 OC[C@H]1CCCNC1 2192AA [0,1,0,0,0,0|2,0,0]=3 77 B8R1.2 OC[C@H]1CNCCO1 W3408 [0,1,0,0,0,0|3,0,0]=4 78 B8R1.2 OC[C@H]1COCCN1 W4406 [0,1,0,0,0,0|3,0,0]=4 79 B8R1.3 CC1CCC(=O)NC1 3753AB [0,1,0,0,0,0|2,0,1]=4 80 B8R1.3 CC1CCC(C)CC1 7953AF [0,1,0,0,0,0|1,0,0]=2 81 B8R1.3 CC1CCC(N)CC1 0306AA [0,1,0,0,0,0|0,0,0]=1 82 B8R1.3 CN1CCC(Br)CC1 7812AB [0,1,0,0,0,0|2,0,0]=3 83 B8R1.3 C[C@H]1CC[C@@H](C)CC1 7416AL [0,1,0,0,0,0|1,0,0]=2 84 B8R1.3 C[C@H]1CC[C@@H](N)CC1 3945AJ [0,1,0,0,0,0|0,0,0]=1 85 B8R1.3 C[C@H]1CC[C@H](C)CC1 3891AL [0,1,0,0,0,0|1,0,0]=2 86 B8R1.3 NC1CCC(=O)NC1 7736AA [0,1,0,0,0,0|1,0,1]=3 87 B8R1.3 NC1CCC(Br)CC1 6965AC [0,1,0,0,0,0|0,0,0]=1 88 B8R1.3 N[C@@H]1CCC(=O)NC1 0145AA [0,1,0,0,0,0|1,0,1]=3 89 B8R1.3 N[C@H]1CCC(=O)NC1 0353AC [0,1,0,0,0,0|1,0,1]=3 90 B8R1.3 O=C1CC[C@@H](O)CN1 X8626 [0,1,0,0,0,0|2,0,1]=4 91 B8R1.3 O=C1CC[C@H](O)CN1 W4776 [0,1,0,0,0,0|2,0,1]=4 92 B8R1.4 CC1CC(=O)CCN1 1072AC [0,1,0,0,0,0|2,0,1]=4 93 B8R1.4 CC1CC(O)CCN1 1810AJ [0,1,0,0,0,0|2,0,0]=3 94 B8R1.4 CC1CCCC(=O)N1 6454AJ [0,1,0,0,0,0|2,0,1]=4 95 B8R1.4 CC1CCCC(N)C1 V8849 [0,1,0,0,0,0|0,0,0]=1 96 B8R1.4 CC1CCCC(N)C1 W7860 [0,1,0,0,0,0|0,0,0]=1 97 B8R1.4 CC1CCOC(C)O1 5310AL [0,1,0,0,0,0|3,0,0]=4 98 B8R1.4 CC1CN(C)CCN1 Z2448 [0,1,0,0,0,0|3,0,0]=4 99 B8R1.4 CC1COCC(C)N1 4497AA [0,1,0,0,0,0|3,0,0]=4 100 B8R1.4 CN1CCCC(=O)C1 9933AH [0,1,0,0,0,0|2,0,1]=4 101 B8R1.4 CN1CCCC(=O)C1 9934AH [0,1,0,0,0,0|2,0,1]=4 102 B8R1.4 CN1CCC[C@H](N)C1 9156AH [0,1,0,0,0,0|1,0,0]=2 103 B8R1.4 CN1CCC[C@H](N)C1 9157AH [0,1,0,0,0,0|1,0,0]=2 104 B8R1.4 CN1CCC[C@H](O)C1 Z2139 [0,1,0,0,0,0|2,0,0]=3 105 B8R1.4 C[C@@H]1CCC[C@@H](C)C1 9192AL [0,1,0,0,0,0|1,0,0]=2 106 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 1079AL [0,1,0,0,0,0|3,0,0]=4 107 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 8828AA [0,1,0,0,0,0|3,0,0]=4 108 B8R1.4 C[C@H]1CCC[C@@H](C)C1 7412AL [0,1,0,0,0,0|1,0,0]=2 109 B8R1.4 C[C@H]1CN(C)CCN1 2498AA [0,1,0,0,0,0|3,0,0]=4 110 B8R1.4 C[C@H]1CN(C)CCN1 9093AH [0,1,0,0,0,0|3,0,0]=4 111 B8R1.4 C[C@H]1CNC[C@H](C)O1 8589AH [0,1,0,0,0,0|3,0,0]=4 112 B8R1.4 NC1CCNC(=O)C1 X9664 [0,1,0,0,0,0|1,0,1]=3 113 B8R1.4 N[C@H]1CCC[C@@H](N)C1 6766AB [0,1,0,0,0,0|0,0,0]=1 114 B8R1.4 N[C@H]1CCC[C@@H](N)C1 7409AL [0,1,0,0,0,0|0,0,0]=1 115 B8R1.4 N[C@H]1CCC[C@H](N)C1 9190AL [0,1,0,0,0,0|0,0,0]=1 116 B8R1.4 O[C@H]1CCC[C@@H](O)C1 7408AL [0,1,0,0,0,0|1,0,0]=2 117 B8R1.5 CC1CCCCC1C 4454AL [0,1,0,0,0,0|1,0,0]=2 118 B8R1.5 CC1CCNCC1O 2895AJ [0,1,0,0,0,0|2,0,0]=3 119 B8R1.5 CC1CNCCC1O 3011AA [0,1,0,0,0,0|2,0,0]=3 120 B8R1.5 CC1COCCC1=O Z3955 [0,1,0,0,0,0|2,0,1]=4 121 B8R1.5 CC1NCCNC1C 0452AF [0,1,0,0,0,0|3,0,0]=4 122 B8R1.5 C[C@@H]1CCCC[C@@H]1O 7425AL [0,1,0,0,0,0|1,0,0]=2 123 B8R1.5 C[C@@H]1CCNC[C@H]1O 4686AJ [0,1,0,0,0,0|2,0,0]=3 124 B8R1.5 C[C@@H]1CNCCN1C 8539AH [0,1,0,0,0,0|3,0,0]=4 125 B8R1.5 C[C@H]1CCCC[C@@H]1C 9189AL [0,1,0,0,0,0|1,0,0]=2 126 B8R1.5 C[C@H]1CCCC[C@H]1C 7956AF [0,1,0,0,0,0|1,0,0]=2 127 B8R1.5 C[C@H]1CCCC[C@H]1N 8371AH [0,1,0,0,0,0|0,0,0]=1 128 B8R1.5 Cl[C@@H]1OCCO[C@H]1Cl 9197AL [0,1,0,0,0,0|3,0,0]=4 129 B8R1.5 FC1CCCCC1Br 7512AE [0,1,0,0,0,0|1,0,0]=2 130 B8R1.5 NC1CCNCC1O 0385AQ [0,1,0,0,0,0|1,0,0]=2 131 B8R1.5 NC1COCCC1O Y6179 [0,1,0,0,0,0|1,0,0]=2 132 B8R1.5 NN1CCCCC1=O Z4590 [0,1,0,0,0,0|1,0,1]=3 133 B8R1.5 N[C@@H]1CC=CC[C@H]1N 0209AQ [0,1,0,0,0,0|0,0,2]=3 134 B8R1.5 N[C@@H]1CCCNC1=O 4620AC [0,1,0,0,0,0|1,0,1]=3 135 B8R1.5 N[C@H]1CCCC[C@H]1N 0141AA [0,1,0,0,0,0|0,0,0]=1 136 B8R1.5 N[C@H]1CCCNC1=O 4844AJ [0,1,0,0,0,0|1,0,1]=3 137 B8R1.5 O=C1CCCCC1Br X5630 [0,1,0,0,0,0|1,0,1]=3 138 B8R1.5 O=C1CCCCC1Cl 7902AJ [0,1,0,0,0,0|1,0,1]=3 139 B8R1.5 O=C1CCOCC1F W7452 [0,1,0,0,0,0|2,0,1]=4 140 B8R1.5 O=C1NCCCC1Br 4146AB [0,1,0,0,0,0|2,0,1]=4 141 B8R1.5 O[C@@H]1CCCC[C@H]1F 0067AC [0,1,0,0,0,0|1,0,0]=2 142 B8R1.5 O[C@H]1CCNC[C@@H]1O 5210AB [0,1,0,0,0,0|2,0,0]=3 143 B8R1.72 CC1(C)CCNCC1 5453AB [0,1,0,0,0,0|2,0,0]=3 144 B8R1.72 CC1(C)CNCCN1 1323AJ [0,1,0,0,0,0|3,0,0]=4 145 B8R1.72 CC1(C)CNCCO1 5391AD [0,1,0,0,0,0|3,0,0]=4 146 B8R1.72 CC1(C)COCCN1 2066AJ [0,1,0,0,0,0|3,0,0]=4 147 B8R1.72 CC1(N)CCCCC1 X6756 [0,1,0,0,0,0|0,0,0]=1 148 B8R1.72 CC1(N)CCNCC1 6612AB [0,1,0,0,0,0|1,0,0]=2 149 B8R1.72 N=S1(=O)CCOCC1 X2152 [0,1,0,0,0,0|2,0,1]=4 150 B6R0.1 C#CC(O)CCC X7102 [0,0,1,0,0,0|1,0,2]=4 151 B6R0.1 C#CCC(O)CC 6781AL [0,0,1,0,0,0|1,0,2]=4 152 B6R0.1 C=CC(C)CCC 6092AL [0,0,1,0,0,0|1,0,2]=4 153 B6R0.1 CCC(=O)CSC K829 [0,0,1,0,0,0|2,0,1]=4 154 B6R0.1 CCC(O)CNN 2943AE [0,0,1,0,0,0|3,0,0]=4 155 B6R0.1 CCCC(=O)SC 8847AJ [0,0,1,0,0,0|2,0,1]=4 156 B6R0.1 CCCC(Br)CC 3975AB [0,0,1,0,0,0|1,0,0]=2 157 B6R0.1 CCCC(C)CC 7810AF [0,0,1,0,0,0|1,0,0]=2 158 B6R0.1 CCCC(C)CO 1207AA [0,0,1,0,0,0|2,0,0]=3 159 B6R0.1 CCCC(O)CC 7557AF [0,0,1,0,0,0|1,0,0]=2 160 B6R0.1 CCC[C@@H](N)CO 2554AC [0,0,1,0,0,0|1,0,0]=2 161 B6R0.1 CCNC(C)CC 7145AD [0,0,1,0,0,0|2,0,0]=3 162 B6R0.1 CCNC(C)CO 8218AD [0,0,1,0,0,0|3,0,0]=4 163 B6R0.1 CCOC(=N)CC 8352AC [0,0,1,0,0,0|1,0,2]=4 164 B6R0.1 CCOC(C)CC 8956AL [0,0,1,0,0,0|2,0,0]=3 165 B6R0.1 CCOC(C)CN 0082AD [0,0,1,0,0,0|3,0,0]=4 166 B6R0.1 CCSC(=O)CC 8960AL [0,0,1,0,0,0|2,0,1]=4 167 B6R0.1 CC[C@H](C)CCO 4202AL [0,0,1,0,0,0|2,0,0]=3 168 B6R0.1 CNC(C)CCO 8891AD [0,0,1,0,0,0|3,0,0]=4 169 B6R0.1 CNCC(C)OC 1691AF [0,0,1,0,0,0|3,0,0]=4 170 B6R0.1 OCC[C@@H](O)CO W7968 [0,0,1,0,0,0|3,0,0]=4 171 B6R0.1 O[C@H](CBr)CCBr 9809AB [0,0,1,0,0,0|3,0,0]=4 172 B6R0.4 C=C(C)CCCC 5699AL [0,0,1,0,0,0|1,0,1]=3 173 B6R0.4 C=CCCC(C)C 6791AL [0,0,1,0,0,0|1,0,2]=4 174 B6R0.4 CC(=O)CCCBr W5938 [0,0,1,0,0,0|2,0,1]=4 175 B6R0.4 CC(C)CCCCl 6814AE [0,0,1,0,0,0|2,0,0]=3 176 B6R0.4 CC(C)NCCCl 9576AB [0,0,1,0,0,0|3,0,0]=4 177 B6R0.4 CC(C)SCCCl 3252AE [0,0,1,0,0,0|3,0,0]=4 178 B6R0.4 CCCC=C(C)C 5704AL [0,0,1,0,0,0|1,0,2]=4 179 B6R0.4 CCCCC(=O)Br 7391AF [0,0,1,0,0,0|2,0,1]=4 180 B6R0.4 CCCCC(C)Br 5535AL [0,0,1,0,0,0|1,0,0]=2 181 B6R0.4 CCCCC(C)C 5734AL [0,0,1,0,0,0|1,0,0]=2 182 B6R0.4 CCCCC(C)Cl 5578AL [0,0,1,0,0,0|1,0,0]=2 183 B6R0.4 CCCCC(C)N 7573AF [0,0,1,0,0,0|0,0,0]=1 184 B6R0.4 CCCCC(C)O 9467AB [0,0,1,0,0,0|1,0,0]=2 185 B6R0.4 CCOCC(C)N 0535AD [0,0,1,0,0,0|1,0,0]=2 186 B6R0.4 C\C=C\CC(C)C 6798AL [0,0,1,0,0,0|1,0,2]=4 187 B6R0.6 C=CCCCCI 0232AQ [0,0,1,0,0,0|1,0,2]=4 188 B6R0.6 C=CCSCCC R577 [0,0,1,0,0,0|2,0,1]=4 189 B6R0.6 C=COCCCN 0206AC [0,0,1,0,0,0|1,0,2]=4 190 B6R0.6 CC#CCCCC 5638AL [0,0,1,0,0,0|1,0,2]=4 191 B6R0.6 CCCCCSC 7567AF [0,0,1,0,0,0|2,0,0]=3 192 B6R0.6 CCCCOCC 7302AL [0,0,1,0,0,0|2,0,0]=3 193 B6R0.6 CCCOCCC 7558AF [0,0,1,0,0,0|2,0,0]=3 194 B6R0.6 CCCSCCC 7569AF [0,0,1,0,0,0|2,0,0]=3 195 B6R0.6 CCC\C=C/CO 7423AL [0,0,1,0,0,0|1,0,2]=4 196 B6R0.6 CCOCCNC 5385AD [0,0,1,0,0,0|3,0,0]=4 197 B6R0.6 CC\C=C\CCC 9219AL [0,0,1,0,0,0|1,0,2]=4 198 B6R0.6 CNCCCOC V6596 [0,0,1,0,0,0|3,0,0]=4 199 B6R0.6 C\C=C/CCCC 7422AL [0,0,1,0,0,0|1,0,2]=4 200 B6R0.6 C\C=C/CCCCl 7455AL [0,0,1,0,0,0|1,0,2]=4 201 B6R0.6 C\C=C\CCCC 7780AF [0,0,1,0,0,0|1,0,2]=4 202 B6R0.6 NCCNCCCl 8169AB [0,0,1,0,0,0|2,0,0]=3 203 B6R0.6 NCCOCCN 1537AL [0,0,1,0,0,0|2,0,0]=3 204 B6R0.6 NCCSCCN K553 [0,0,1,0,0,0|2,0,0]=3 205 B6R0.6 NCCSCCO 8189AD [0,0,1,0,0,0|2,0,0]=3 206 B6R0.6 SCCSCCS Q406 [0,0,1,0,0,0|3,0,0]=4 207 B8R2.18 OC1CC2CC2C1 4817AC [0,0,0,1,0,0|1,0,0]=2 208 B8R2.23 C1NCC2CC1O2 3619AJ [0,0,0,1,0,0|2,0,0]=3 209 B8R2.25 C1=CC2OC2CC1 0136AQ [0,0,0,1,0,0|1,0,2]=4 210 B8R2.34 C12CCC(CC1)O2 6894AL [0,0,0,1,0,0|1,0,0]=2 211 B8R2.34 [C@@H]12CN[C@@H](CN1)C2 1392AJ [0,0,0,1,0,0|3,0,0]=4 212 B6R1.2 CC1=CCCC1 9313AJ [0,0,0,0,1,0|1,0,2]=4 213 B6R1.2 CC1CCCN1 0591AQ [0,0,0,0,1,0|2,0,0]=3 214 B6R1.2 CC1CCCS1 7972AJ [0,0,0,0,1,0|2,0,0]=3 215 B6R1.2 CC1CCNC1 X9461 [0,0,0,0,1,0|2,0,0]=3 216 B6R1.2 CC1CCOC1 6124AL [0,0,0,0,1,0|2,0,0]=3 217 B6R1.2 CC1COCO1 6593AL [0,0,0,0,1,0|3,0,0]=4 218 B6R1.2 CC1OCCO1 7260AF [0,0,0,0,1,0|3,0,0]=4 219 B6R1.2 C[C@@H]1CCCN1 V2030 [0,0,0,0,1,0|2,0,0]=3 220 B6R1.2 ClC1=CCCC1 9304AJ [0,0,0,0,1,0|1,0,2]=4 221 B6R1.2 FC1CCCC1 7941AL [0,0,0,0,1,0|1,0,0]=2 222 B6R1.2 FC1CCNC1 W3697 [0,0,0,0,1,0|2,0,0]=3 223 B6R1.2 FC1CCNC1 X9172 [0,0,0,0,1,0|2,0,0]=3 224 B6R1.2 F[C@H]1CCNC1 9169AH [0,0,0,0,1,0|2,0,0]=3 225 B6R1.2 NC1=NCCO1 5489AL [0,0,0,0,1,0|2,0,1]=4 226 B6R1.2 NC1CCOC1 W9158 [0,0,0,0,1,0|1,0,0]=2 227 B6R1.2 NN1CCCC1 8436AA [0,0,0,0,1,0|1,0,0]=2 228 B6R1.2 N[C@H]1CCNC1 N118 [0,0,0,0,1,0|1,0,0]=2 229 B6R1.2 N[C@H]1CCOC1 W4304 [0,0,0,0,1,0|1,0,0]=2 230 B6R1.2 OC1CNOC1 0177AF [0,0,0,0,1,0|3,0,0]=4 231 B6R1.2 O[C@H]1CCSC1 Y1948 [0,0,0,0,1,0|2,0,0]=3 232 B8R1.22 BrC1=CCCCCC1 V3936 [0,0,0,0,0,1|1,0,1]=3 233 B8R1.22 CC1CCCNCC1 2641AE [0,0,0,0,0,1|1,0,0]=2 234 B8R1.22 CC1CCNCCN1 W4646 [0,0,0,0,0,1|2,0,0]=3 235 B8R1.22 ClC1CCCCCC1 1856AB [0,0,0,0,0,1|1,0,0]=2 236 B8R1.22 N[C@H]1CCCCNC1 1604AA [0,0,0,0,0,1|0,0,0]=1 237 B8R1.22 O=C1CCCCNC1 0003AC [0,0,0,0,0,1|1,0,1]=3 238 B8R1.22 O=C1CCNCCN1 W5590 [0,0,0,0,0,1|2,0,1]=4 239 B8R1.22 O=C1CCSCCN1 9235AD [0,0,0,0,0,1|2,0,1]=4 240 B8R1.22 OC1CCCNCC1 V5726 [0,0,0,0,0,1|1,0,0]=2 241 B8R1.22 OC1CCCNCC1 X9141 [0,0,0,0,0,1|1,0,0]=2 242 B8R1.22 O[C@@H]1CNCCOC1 8939AH [0,0,0,0,0,1|2,0,0]=3 243 B5R0.1 CC(C)CCCl 7326AF [1,0,1,0,0,0|2,0,0]=4 244 B5R0.1 CCOC(C)C 7879AL [1,0,1,0,0,0|2,0,0]=4 245 B5R0.1 CCSC(C)C 7880AL [1,0,1,0,0,0|2,0,0]=4 246 B5R0.1 CNCC(C)C 8603AL [1,0,1,0,0,0|2,0,0]=4 247 B5R0.1 COC[C@H](C)O W4988 [1,0,1,0,0,0|2,0,0]=4 248 B5R0.1 C[C@H](N)CCO 3502AC [1,0,1,0,0,0|1,0,0]=3 249 B5R0.2 C=CCCCN 7616AH [1,0,1,0,0,0|0,0,2]=4 250 B5R0.2 CCCCOC 7303AL [1,0,1,0,0,0|1,0,0]=3 251 B5R0.2 CCCNCC 8554AL [1,0,1,0,0,0|1,0,0]=3 252 B5R0.2 CCCOCC 7892AL [1,0,1,0,0,0|1,0,0]=3 253 B5R0.2 CCCOCCl 4494AB [1,0,1,0,0,0|2,0,0]=4 254 B5R0.2 CCCSCC R576 [1,0,1,0,0,0|1,0,0]=3 255 B5R0.2 CCOCCN 3903AD [1,0,1,0,0,0|1,0,0]=3 256 B5R0.2 CC[Se][Se]CC 7651AL [1,0,1,0,0,0|2,0,0]=4 257 B5R0.2 COCCCI 9890AH [1,0,1,0,0,0|2,0,0]=4 258 B5R0.3 CCC(C)CCl U282 [1,0,1,0,0,0|2,0,0]=4 259 B5R0.3 CCC(Cl)CCl 4449AL [1,0,1,0,0,0|2,0,0]=4 260 B5R0.3 CCC(O)CBr 4766AL [1,0,1,0,0,0|2,0,0]=4 261 B5R0.3 CCC(S)CS 4441AL [1,0,1,0,0,0|2,0,0]=4 262 B5R0.3 CC[C@H](C)CCl 4194AL [1,0,1,0,0,0|2,0,0]=4 263 B7R0.2 C=C(C)CC(C)CC 5312AL [0,1,1,0,0,0|1,0,1]=4 264 B7R0.2 CC(C)CC(N)C#N 5444AJ [0,1,1,0,0,0|1,0,1]=4 265 B7R0.2 CCC(C)CC(C)C 5322AL [0,1,1,0,0,0|1,0,0]=3 266 B7R0.2 CCC(N)CC(=O)O 2363AL [0,1,1,0,0,0|1,0,1]=4 267 B7R0.2 CC[C@@H](N)CC(=O)O 9229AJ [0,1,1,0,0,0|1,0,1]=4 268 B7R0.2 CC[C@H](N)CC(=O)O 9250AJ [0,1,1,0,0,0|1,0,1]=4 269 B7R0.3 C=C(CC)CCCC 5608AL [0,1,1,0,0,0|1,0,1]=4 270 B7R0.3 CC#CCC(O)CC 6775AL [0,1,1,0,0,0|1,0,1]=4 271 B7R0.3 CCC(Cl)CCCCl 4475AE [0,1,1,0,0,0|1,0,0]=3 272 B7R0.3 CCCCC(C)CC 6251AE [0,1,1,0,0,0|1,0,0]=3 273 B7R0.3 CCCCC(O)CC 8762AB [0,1,1,0,0,0|1,0,0]=3 274 B7R0.3 CCCC[C@H](N)CO 7337AH [0,1,1,0,0,0|1,0,0]=3 275 B7R0.3 CCC\C=C(/C)CC 6104AL [0,1,1,0,0,0|1,0,1]=4 276 B7R0.3 CCN(C)CCCO 4272AE [0,1,1,0,0,0|2,0,0]=4 277 B7R0.3 CCOCC(N)CC 8270AE [0,1,1,0,0,0|0,0,0]=2 278 B7R0.3 CCOCC(O)CN 1272AE [0,1,1,0,0,0|2,0,0]=4 279 B7R0.3 CC[C@H](C)CCCO 4203AL [0,1,1,0,0,0|1,0,0]=3 280 B7R0.3 CSCCC(N)CO 8517AA [0,1,1,0,0,0|1,0,0]=3 281 B7R0.5 CCCC(=O)C(C)C 5712AL [0,1,1,0,0,0|1,0,1]=4 282 B7R0.5 COCC(N)C(C)C 9904AH [0,1,1,0,0,0|1,0,0]=3 283 B7R0.7 CCCC(C)CCO 6091AL [0,1,1,0,0,0|1,0,0]=3 284 B7R0.7 CCCN(C)CCC 0883AE [0,1,1,0,0,0|2,0,0]=4 285 B7R0.7 CCC[C@H](N)CCO 0636AC [0,1,1,0,0,0|0,0,0]=2 286 B7R0.10 CCC(=O)C(O)CC 8871AL [0,1,1,0,0,0|1,0,1]=4 287 B7R0.10 CCC(C)C(C)CC 5907AL [0,1,1,0,0,0|1,0,0]=3 288 B7R0.11 CCOC(C)(C)CC 9029AL [0,1,1,0,0,0|2,0,0]=4 289 B7R0.12 CCNC(CC)CC 2358AE [0,1,1,0,0,0|2,0,0]=4 290 B7R0.12 CCN[C@@H](CC)CO 2889AC [0,1,1,0,0,0|2,0,0]=4 291 B7R0.4 C=C(C)CCCCC 5698AL [0,1,1,0,0,0|1,0,1]=4 292 B7R0.4 CC(C)CCCCO 6988AE [0,1,1,0,0,0|1,0,0]=3 293 B7R0.4 CC(C)COCCN 0042AD [0,1,1,0,0,0|2,0,0]=4 294 B7R0.4 CC(C)CSCCO 5051AL [0,1,1,0,0,0|2,0,0]=4 295 B7R0.4 CC(C)OCCCCl U192 [0,1,1,0,0,0|2,0,0]=4 296 B7R0.4 CC(C)OCCCO 9315AD [0,1,1,0,0,0|2,0,0]=4 297 B7R0.4 CC(O)CNCCO 7542AE [0,1,1,0,0,0|2,0,0]=4 298 B7R0.4 CCCCCC(C)C 5733AL [0,1,1,0,0,0|1,0,0]=3 299 B7R0.4 CCCCCC(C)Cl 5577AL [0,1,1,0,0,0|1,0,0]=3 300 B7R0.4 CCCCNC(C)=O 7541AF [0,1,1,0,0,0|1,0,1]=4 301 B7R0.4 CCCCNC(C)C 2334AE [0,1,1,0,0,0|1,0,0]=3 302 B7R0.4 CCCCOC(Cl)Cl 7617AL [0,1,1,0,0,0|2,0,0]=4 303 B7R0.4 CCOCCC(C)=O 6489AL [0,1,1,0,0,0|1,0,1]=4 304 B7R0.4 CN(C)CCCCN 1354AE [0,1,1,0,0,0|2,0,0]=4 305 B7R0.4 COCCNC(C)C 8018AC [0,1,1,0,0,0|2,0,0]=4 306 B7R0.6 C=C(C)CCC(C)C 5371AL [0,1,1,0,0,0|1,0,1]=4 307 B7R0.6 CC(C)CCC(C)C 5381AL [0,1,1,0,0,0|1,0,0]=3 308 B7R0.6 CC(C)CNC(C)C 2335AE [0,1,1,0,0,0|2,0,0]=4 309 B7R0.6 C[C@H](O)CC[C@H](C)O 4119AB [0,1,1,0,0,0|1,0,0]=3 310 B7R0.8 CC(C)(O)CCCN 6321AJ [0,1,1,0,0,0|2,0,0]=4 311 B7R0.8 CCCCC(C)(C)C 5136AL [0,1,1,0,0,0|1,0,0]=3 312 B7R0.8 CCCC[Si](C)(C)Cl 8911AJ [0,1,1,0,0,0|1,1,0]=4 313 B7R0.8 CCNCC(C)(C)O 9524AH [0,1,1,0,0,0|2,0,0]=4 314 B7R0.8 CNCCC(C)(C)C 9066AC [0,1,1,0,0,0|2,0,0]=4 315 B7R0.1 C#CCNCCCC 3830AE [0,1,1,0,0,0|1,0,1]=4 316 B7R0.1 C=CCCCCCCl 5718AC [0,1,1,0,0,0|1,0,1]=4 317 B7R0.1 C=CCOCCCC 7029AL [0,1,1,0,0,0|1,0,1]=4 318 B7R0.1 CCC#CCCCC 7931AF [0,1,1,0,0,0|1,0,1]=4 319 B7R0.1 CCCCCC[Mg]Br 8700AJ [0,1,1,0,0,0|1,0,0]=3 320 B7R0.1 CCCCOCCCl 5574AL [0,1,1,0,0,0|1,0,0]=3 321 B7R0.1 CCCCOCCN 7133AE [0,1,1,0,0,0|0,0,0]=2 322 B7R0.1 CCCC\C=C\CO 9204AL [0,1,1,0,0,0|1,0,1]=4 323 B7R0.1 CCNCCOCC 2091AE [0,1,1,0,0,0|2,0,0]=4 324 B7R0.1 CC\C=C\CCCC 9221AL [0,1,1,0,0,0|1,0,1]=4 325 B7R0.1 COCCOCCI 0278AP [0,1,1,0,0,0|2,0,0]=4 326 B7R0.1 COCCOCCS 1037AQ [0,1,1,0,0,0|2,0,0]=4 327 B7R0.1 C\C=C/CCCCC 7427AL [0,1,1,0,0,0|1,0,1]=4 328 B7R0.1 C\C=C\CCCCC 7960AF [0,1,1,0,0,0|1,0,1]=4 329 B7R0.1 O=CCCCCCCl Y9332 [0,1,1,0,0,0|1,0,1]=4 330 B7R0.1 OCCCNCCO 2316AL [0,1,1,0,0,0|2,0,0]=4 331 B7R1.1 BrCC1CCCN1 6324AA [0,1,0,0,1,0|2,0,0]=4 332 B7R1.1 BrCC1CCOC1 8390AA [0,1,0,0,1,0|2,0,0]=4 333 B7R1.1 C=CC1CCCC1 9406AL [0,1,0,0,1,0|1,0,0]=3 334 B7R1.1 CCC1CCCC1 7901AL [0,1,0,0,1,0|1,0,0]=3 335 B7R1.1 CCC1CCCN1 7143AC [0,1,0,0,1,0|2,0,0]=4 336 B7R1.1 CCC1CCNC1 9496AE [0,1,0,0,1,0|2,0,0]=4 337 B7R1.1 CCN1CCCC1 8555AL [0,1,0,0,1,0|2,0,0]=4 338 B7R1.1 CNC1CCNC1 2827AC [0,1,0,0,1,0|1,0,0]=3 339 B7R1.1 CNC1CCOC1 Z5570 [0,1,0,0,1,0|1,0,0]=3 340 B7R1.1 CN[C@@H]1CCNC1 X6025 [0,1,0,0,1,0|1,0,0]=3 341 B7R1.1 CN[C@@H]1CCOC1 2045AJ [0,1,0,0,1,0|1,0,0]=3 342 B7R1.1 CN[C@@H]1CCOC1 9048AH [0,1,0,0,1,0|1,0,0]=3 343 B7R1.1 ClC[C@@H]1CCCN1 9398AA [0,1,0,0,1,0|2,0,0]=4 344 B7R1.1 FC[C@@H]1CCCN1 1290AF [0,1,0,0,1,0|2,0,0]=4 345 B7R1.1 N#CC1CCCO1 7250AA [0,1,0,0,1,0|1,0,1]=4 346 B7R1.1 N#CC1CCNC1 Y6938 [0,1,0,0,1,0|1,0,1]=4 347 B7R1.1 N#CC1CCOC1 X2033 [0,1,0,0,1,0|1,0,1]=4 348 B7R1.1 N#C[C@H]1CCCN1 0400AC [0,1,0,0,1,0|1,0,1]=4 349 B7R1.1 NCC1CCCC1 3974AJ [0,1,0,0,1,0|0,0,0]=2 350 B7R1.1 NCC1CCCC1 3975AJ [0,1,0,0,1,0|0,0,0]=2 351 B7R1.1 NCC1CCNC1 0361AC [0,1,0,0,1,0|1,0,0]=3 352 B7R1.1 NCC1OCCO1 6055AB [0,1,0,0,1,0|2,0,0]=4 353 B7R1.1 NC[C@@H]1CCCN1 O008 [0,1,0,0,1,0|1,0,0]=3 354 B7R1.1 NC[C@H]1CCCN1 1217AC [0,1,0,0,1,0|1,0,0]=3 355 B7R1.1 NNC1CCCC1 9797AD [0,1,0,0,1,0|0,0,0]=2 356 B7R1.1 NNC1CCOC1 4448AJ [0,1,0,0,1,0|1,0,0]=3 357 B7R1.1 O=CN1CCCC1 0706AQ [0,1,0,0,1,0|2,0,0]=4 358 B7R1.1 OCC1CCNC1 W6601 [0,1,0,0,1,0|2,0,0]=4 359 B7R1.1 [C-]#[N+]C1CCCC1 7534AL [0,1,0,0,1,0|0,0,1]=3 360 B7R1.2 CC1CCC(C)O1 Z5431 [0,1,0,0,1,0|2,0,0]=4 361 B7R1.2 CN1CCC(Br)C1 1332AA [0,1,0,0,1,0|2,0,0]=4 362 B7R1.2 CN1CC[C@H](N)C1 Y4288 [0,1,0,0,1,0|1,0,0]=3 363 B7R1.2 C[C@H]1C[C@H](O)CN1 1991AA [0,1,0,0,1,0|2,0,0]=4 364 B7R1.2 NC1CCC(O)C1 6561AA [0,1,0,0,1,0|0,0,0]=2 365 B7R1.2 NC1CNC(=O)C1 9509AL [0,1,0,0,1,0|1,0,1]=4 366 B7R1.2 N[C@H]1CC[C@@H](O)C1 5418AA [0,1,0,0,1,0|0,0,0]=2 367 B7R1.2 O=C1CCC(I)C1 3588AC [0,1,0,0,1,0|1,0,1]=4 368 B7R1.4 BrC1CCCC1Br 1288AQ [0,1,0,0,1,0|1,0,0]=3 369 B7R1.4 BrC1CCCC1Br 3089AB [0,1,0,0,1,0|1,0,0]=3 370 B7R1.4 ClC1CCOC1Cl 5221AL [0,1,0,0,1,0|2,0,0]=4 371 B7R1.4 NC1COCC1O 5780AA [0,1,0,0,1,0|1,0,0]=3 372 B7R1.4 NC1COCC1O 7148AA [0,1,0,0,1,0|1,0,0]=3 373 B7R1.4 NC1CSCC1O 0027AD [0,1,0,0,1,0|1,0,0]=3 374 B7R1.4 NN1CCCC1=O 0452AB [0,1,0,0,1,0|1,0,1]=4 375 B7R1.4 N[C@@H]1COC[C@H]1O 8700AH [0,1,0,0,1,0|1,0,0]=3 376 B7R1.4 N[C@H]1CCC[C@@H]1O 5744AC [0,1,0,0,1,0|0,0,0]=2 377 B7R1.4 N[C@H]1CCNC1=O 8251AB [0,1,0,0,1,0|1,0,1]=4 378 B7R1.4 N[C@H]1COC[C@@H]1O 4688AJ [0,1,0,0,1,0|1,0,0]=3 379 B7R1.4 O=C1CCCC1Cl W7923 [0,1,0,0,1,0|1,0,1]=4 380 B7R1.4 O[C@H]1CCC[C@H]1O 0705AP [0,1,0,0,1,0|1,0,0]=3 381 B7R1.4 O[C@H]1CNC[C@@H]1O Z4539 [0,1,0,0,1,0|2,0,0]=4 382 B7R1.14 CC1(C)CCNC1 2404AC [0,1,0,0,1,0|2,0,0]=4 383 B7R1.14 CC1(N)CCCC1 0991AQ [0,1,0,0,1,0|0,0,0]=2 384 B9R1.5 N[C@H]1CCCCC[C@@H]1O 0321AQ [0,1,0,0,0,1|0,0,0]=2 385 B9R1.5 O=C1CCCCCC1Cl 5571AL [0,1,0,0,0,1|1,0,0]=3 386 B9R1.49 CN1CCCC(=O)CC1 W4017 [0,1,0,0,0,1|1,0,1]=4 387 B9R1.49 CN1CCCC(N)CC1 3590AF [0,1,0,0,0,1|0,0,0]=2 388 B9R1.89 CCN1CCCNCC1 Y8866 [0,1,0,0,0,1|2,0,0]=4 389 B9R1.89 NCC1CCCCCC1 6135AB [0,1,0,0,0,1|0,0,0]=2 390 B9R1.89 OCC1CNCCCO1 5289AJ [0,1,0,0,0,1|2,0,0]=4 391 B9R1.89 ONC1=NCCCCC1 6477AD [0,1,0,0,0,1|0,0,1]=3 392 B9R1.89 [C-]#[N+]C1CCCCCC1 Z9758 [0,1,0,0,0,1|0,0,1]=3 393 B9R1.1 C=C1CCC(CO)CC1 7160AC [0,2,0,0,0,0|1,0,1]=4 394 B9R1.1 CC1CCC(=CBr)CC1 V7740 [0,2,0,0,0,0|1,0,1]=4 395 B9R1.1 CC1CCC(=NO)CC1 4311AE [0,2,0,0,0,0|0,0,2]=4 396 B9R1.1 CC1CCC(CBr)CC1 4986AJ [0,2,0,0,0,0|1,0,0]=3 397 B9R1.1 CCC1CCC(C)CC1 4854AL [0,2,0,0,0,0|1,0,0]=3 398 B9R1.1 CCC1CCC(O)CC1 6248AB [0,2,0,0,0,0|1,0,0]=3 399 B9R1.1 CN1CCC(C=O)CC1 W6593 [0,2,0,0,0,0|2,0,0]=4 400 B9R1.1 CN1CCC(CBr)CC1 7208AC [0,2,0,0,0,0|2,0,0]=4 401 B9R1.1 CN1CCC(CN)CC1 Y7197 [0,2,0,0,0,0|1,0,0]=3 402 B9R1.1 CN1CCC(NN)CC1 7131AB [0,2,0,0,0,0|1,0,0]=3 403 B9R1.1 CNC1CCC(=O)CC1 Y5985 [0,2,0,0,0,0|0,0,1]=3 404 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 W4603 [0,2,0,0,0,0|0,0,0]=2 405 B9R1.1 COC1CCC(C)CC1 4894AL [0,2,0,0,0,0|1,0,0]=3 406 B9R1.1 CO[C@H]1CC[C@@H](N)CC1 3943AJ [0,2,0,0,0,0|0,0,0]=2 407 B9R1.1 CO[C@H]1CC[C@H](O)CC1 1248AB [0,2,0,0,0,0|1,0,0]=3 408 B9R1.1 N#C[C@H]1CC[C@H](N)CC1 1213AF [0,2,0,0,0,0|0,0,0]=2 409 B9R1.1 O=CC1CCC(=O)CC1 6740AC [0,2,0,0,0,0|1,0,1]=4 410 B9R1.1 OCC1CCC(O)CC1 4006AB [0,2,0,0,0,0|1,0,0]=3 411 B9R1.2 CCC1CCCC(C)C1 4845AL [0,2,0,0,0,0|1,0,0]=3 412 B9R1.2 CCC1CCCC(O)C1 5870AJ [0,2,0,0,0,0|1,0,0]=3 413 B9R1.2 CN1CCCC(C#N)C1 9935AH [0,2,0,0,0,0|1,0,1]=4 414 B9R1.2 NCC1CCCC(=O)N1 3336AJ [0,2,0,0,0,0|1,0,1]=4 415 B9R1.6 CC(=O)C1CCCCN1 Y4871 [0,2,0,0,0,0|2,0,0]=4 416 B9R1.6 CC(=O)C1CCCCN1 Y5161 [0,2,0,0,0,0|2,0,0]=4 417 B9R1.6 CC(=O)C1CCCNC1 9444AH [0,2,0,0,0,0|2,0,0]=4 418 B9R1.6 CC(=O)C1CCCNC1 9970AH [0,2,0,0,0,0|2,0,0]=4 419 B9R1.6 CC(=O)C1CCNCC1 W5306 [0,2,0,0,0,0|2,0,0]=4 420 B9R1.6 CC(C)C1CCCCC1 8132AF [0,2,0,0,0,0|1,0,0]=3 421 B9R1.6 CC(C)C1CCNCC1 0139AB [0,2,0,0,0,0|2,0,0]=4 422 B9R1.6 CC(N)C1CCCCC1 7864AB [0,2,0,0,0,0|0,0,0]=2 423 B9R1.6 CC(O)C1CCNCC1 9889AB [0,2,0,0,0,0|2,0,0]=4 424 B9R1.6 CN(C)C1CCCNC1 5251AA [0,2,0,0,0,0|1,0,0]=3 425 B9R1.6 FC(F)C1CCNCC1 X3005 [0,2,0,0,0,0|2,0,0]=4 426 B9R1.6 N=C(N)C1CCCCC1 9640AJ [0,2,0,0,0,0|0,0,0]=2 427 B9R1.6 N=C(N)C1CCOCC1 Y9093 [0,2,0,0,0,0|1,0,0]=3 428 B9R1.6 N=C(N)N1CCCCC1 2921AE [0,2,0,0,0,0|1,0,0]=3 429 B9R1.6 N=C(N)N1CCNCC1 6290AB [0,2,0,0,0,0|2,0,0]=4 430 B9R1.6 N=C(N)N1CCOCC1 8876AA [0,2,0,0,0,0|2,0,0]=4 431 B9R1.6 N=C(N)N1CCOCC1 Y6827 [0,2,0,0,0,0|2,0,0]=4 432 B9R1.6 NC(=O)C1CC=CCC1 4123AE [0,2,0,0,0,0|0,0,2]=4 433 B9R1.6 NC(=O)C1CCCNC1 0236AF [0,2,0,0,0,0|1,0,0]=3 434 B9R1.6 NC(=O)C1CCCOC1 6295AD [0,2,0,0,0,0|1,0,0]=3 435 B9R1.6 NC(=O)C1CNCCO1 Z7921 [0,2,0,0,0,0|2,0,0]=4 436 B9R1.6 NC(=O)C1CSCCN1 0892AA [0,2,0,0,0,0|2,0,0]=4 437 B9R1.6 NC(=O)N1CCNCC1 5669AE [0,2,0,0,0,0|2,0,0]=4 438 B9R1.6 NC(=S)C1CCOCC1 Y4542 [0,2,0,0,0,0|1,0,0]=3 439 B9R1.6 O=C(Cl)N1CCCCC1 0709AQ [0,2,0,0,0,0|2,0,0]=4 440 B9R1.6 O=C(O)C1CCCNC1 8993AB [0,2,0,0,0,0|2,0,0]=4 441 B9R1.6 OB(O)C1CCOCC1 1535AA [0,2,0,0,0,0|2,0,0]=4 442 B9R1.8 C#CCN1CCCCC1 8568AB [0,2,0,0,0,0|2,0,0]=4 443 B9R1.8 C=C=CC1CCCCC1 X3409 [0,2,0,0,0,0|1,0,0]=3 444 B9R1.8 C=CCC1CCCCC1 8125AF [0,2,0,0,0,0|1,0,0]=3 445 B9R1.8 CCCC1CCCCC1 8884AL [0,2,0,0,0,0|1,0,0]=3 446 B9R1.8 CCCC1CCCCN1 0725AP [0,2,0,0,0,0|2,0,0]=4 447 B9R1.8 CCCC1CCCNC1 3949AD [0,2,0,0,0,0|2,0,0]=4 448 B9R1.8 CCOC1CCNCC1 8927AC [0,2,0,0,0,0|2,0,0]=4 449 B9R1.8 CNCC1CCNCC1 7433AH [0,2,0,0,0,0|1,0,0]=3 450 B9R1.8 CNCC1CCOCC1 3758AL [0,2,0,0,0,0|1,0,0]=3 451 B9R1.8 CNCC1CCOCC1 Y9118 [0,2,0,0,0,0|1,0,0]=3 452 B9R1.8 CNCC1CNCCO1 4348AJ [0,2,0,0,0,0|2,0,0]=4 453 B9R1.8 CNCC1CNCCO1 4349AJ [0,2,0,0,0,0|2,0,0]=4 454 B9R1.8 CNCC1COCCO1 8753AD [0,2,0,0,0,0|2,0,0]=4 455 B9R1.8 COCC1CCCCN1 Y2185 [0,2,0,0,0,0|2,0,0]=4 456 B9R1.8 COCC1CCCNC1 8164AE [0,2,0,0,0,0|2,0,0]=4 457 B9R1.8 ClCCC1CCCCC1 1553AA [0,2,0,0,0,0|1,0,0]=3 458 B9R1.8 FCCC1CCCNC1 1487AD [0,2,0,0,0,0|2,0,0]=4 459 B9R1.8 N#CCC1CCCNC1 5589AE [0,2,0,0,0,0|1,0,1]=4 460 B9R1.8 N#CCC1CCNCC1 0362AB [0,2,0,0,0,0|1,0,1]=4 461 B9R1.8 N#CC[NH+]1CCCCC1 4301AL [0,2,0,0,0,0|1,0,1]=4 462 B9R1.8 NCCC1CCCCO1 W6097 [0,2,0,0,0,0|1,0,0]=3 463 B9R1.8 NCCC1CCCNC1 2630AF [0,2,0,0,0,0|1,0,0]=3 464 B9R1.8 NCCC1CCCOC1 4614AF [0,2,0,0,0,0|1,0,0]=3 465 B9R1.8 OCCC1CCOCC1 W6406 [0,2,0,0,0,0|2,0,0]=4 466 B9R1.15 CC1CCCC\C1=N/O 8921AC [0,2,0,0,0,0|0,0,2]=4 467 B9R1.15 CCC1CCCCC1=O 6094AB [0,2,0,0,0,0|1,0,1]=4 468 B9R1.15 CCC1CCCCC1C 4843AL [0,2,0,0,0,0|1,0,0]=3 469 B9R1.15 CN1CCCCC1CBr 7321AC [0,2,0,0,0,0|2,0,0]=4 470 B9R1.15 CN1CCCC[C@@H]1CO 0570AC [0,2,0,0,0,0|2,0,0]=4 471 B9R1.15 CN1CCCC[C@H]1CO 6422AA [0,2,0,0,0,0|2,0,0]=4 472 B9R1.15 CN[C@@H]1CCCC[C@H]1O B568 [0,2,0,0,0,0|0,0,0]=2 473 B9R1.15 CN[C@H]1CCCC[C@@H]1O B569 [0,2,0,0,0,0|0,0,0]=2 474 B9R1.15 CN[C@H]1CCCC[C@H]1O 6910AD [0,2,0,0,0,0|0,0,0]=2 475 B9R1.15 CO[C@H]1CCCC[C@@H]1O 6160AA [0,2,0,0,0,0|1,0,0]=3 476 B9R1.15 NN[C@@H]1CCCC[C@H]1O 8060AB [0,2,0,0,0,0|0,0,0]=2 477 B9R1.15 O=CC1CCCCC1=O 0719AD [0,2,0,0,0,0|1,0,1]=4 478 B9R1.118 CC1(C#N)CCCNC1 0973AD [0,2,0,0,0,0|1,0,1]=4 479 B9R1.118 CC1(C#N)CCNCC1 6301AC [0,2,0,0,0,0|1,0,1]=4 480 B9R1.118 CC1(C=O)CCCCC1 Y9621 [0,2,0,0,0,0|1,0,0]=3 481 B9R1.118 CC1(CO)CCCNC1 1221AB [0,2,0,0,0,0|2,0,0]=4 482 B9R1.118 CC1(CO)CCNCC1 6335AA [0,2,0,0,0,0|2,0,0]=4 483 B9R1.118 CCC1(O)CCCNC1 2888AA [0,2,0,0,0,0|2,0,0]=4 484 B9R1.118 CCC1(O)CCNCC1 5612AH [0,2,0,0,0,0|2,0,0]=4 485 B9R1.118 COC1(C)CCNCC1 5227AB [0,2,0,0,0,0|2,0,0]=4 486 B9R1.118 COC1(C)CCNCC1 5228AB [0,2,0,0,0,0|2,0,0]=4 487 B9R1.118 N#CC1(N)CCCCC1 1563AL [0,2,0,0,0,0|0,0,0]=2 488 B9R1.118 N#CC1(N)CCCCC1 V6566 [0,2,0,0,0,0|0,0,0]=2 489 B9R1.118 N#CC1(O)CCOCC1 4384AE [0,2,0,0,0,0|1,0,1]=4 490 B9R1.118 NC1(CO)CCCCC1 3283AE [0,2,0,0,0,0|0,0,0]=2 491 B9R1.118 NCC1(O)CCOCC1 W7753 [0,2,0,0,0,0|1,0,0]=3 492 B9R1.118 NCC1(O)CCSCC1 4018AC [0,2,0,0,0,0|1,0,0]=3 493 B9R1.118 OCC1(F)CCCCC1 X9192 [0,2,0,0,0,0|1,0,0]=3 494 B9R1.118 OCC1(O)CCNCC1 4839AC [0,2,0,0,0,0|2,0,0]=4 495 B9R1.10 CC1(O)CCC(N)CC1 2613AJ [0,2,0,0,0,0|0,0,0]=2 496 B9R1.10 CC1CCC(C)(C)CC1 4337AL [0,2,0,0,0,0|1,0,0]=3 497 B9R1.10 CN1CCC(F)(F)CC1 0379AQ [0,2,0,0,0,0|2,0,0]=4 498 B9R1.10 NC1CCS(=O)(=O)CC1 0746AB [0,2,0,0,0,0|1,0,0]=3 499 B9R1.69 CC1CC(=O)CCC1O 4918AC [0,2,0,0,0,0|1,0,1]=4 500 B9R1.69 CC1CCC(C)C(=O)C1 5379AL [0,2,0,0,0,0|1,0,1]=4 501 B9R1.69 CC1CCC(C)C(C)C1 4409AL [0,2,0,0,0,0|1,0,0]=3 502 B9R1.69 CC1CN(C)CCC1N 9622AH [0,2,0,0,0,0|1,0,0]=3 503 B9R1.69 CN1CC(N)CCC1=O 2690AD [0,2,0,0,0,0|1,0,1]=4 504 B9R1.69 CN1CCC(N)CC1=O 6570AA [0,2,0,0,0,0|1,0,1]=4 505 B9R1.3 CN1CCCC(N)C1=O 2119AJ [0,2,0,0,0,0|1,0,1]=4 506 B9R1.3 CN1CCC[C@H](N)C1=O 6486AC [0,2,0,0,0,0|1,0,1]=4 507 B9R1.34 CC1CC(C)CC(C)C1 4493AL [0,2,0,0,0,0|1,0,0]=3 508 B9R1.34 CC1CC(O)CC(C)O1 0633AE [0,2,0,0,0,0|2,0,0]=4 509 B9R1.34 O[C@H]1C[C@@H](O)C[C@@H](O)C1 3978AL [0,2,0,0,0,0|1,0,0]=3 510 B9R1.34 O[C@H]1C[C@@H](O)C[C@@H](O)C1 7400AL [0,2,0,0,0,0|1,0,0]=3 511 B9R1.66 CC1(C)CC(N)CCO1 1321AJ [0,2,0,0,0,0|1,0,0]=3 512 B9R1.66 CC1(C)CC(N)CCO1 Z4507 [0,2,0,0,0,0|1,0,0]=3 513 B9R1.40 CC1(C)CNCCC1O W5828 [0,2,0,0,0,0|2,0,0]=4 514 B9R1.40 ClC1OCCCC1(Cl)Cl 7030AE [0,2,0,0,0,0|2,0,0]=4 515 B9R1.40 NC1CCCCC1(F)F 5567AC [0,2,0,0,0,0|0,0,0]=2 516 B7R1.6 CNCC1CCC1 3149AD [0,0,1,1,0,0|2,0,0]=4 517 B7R1.22 CCC(N)C1CC1 7479AD [0,0,1,1,0,0|0,0,0]=2 518 B7R1.22 NC(CO)C1CC1 X3745 [0,0,1,1,0,0|1,0,0]=3 519 B7R1.25 N#CC1(N)CCC1 W8002 [0,0,1,1,0,0|1,0,1]=4 520 B7R1.25 N#CC1(N)CCC1 Y1130 [0,0,1,1,0,0|1,0,1]=4 521 B7R1.7 CCNCC1CC1 8749AD [0,0,1,1,0,0|2,0,0]=4 522 B7R1.7 CCOCC1CO1 7875AL [0,0,1,1,0,0|2,0,0]=4 523 B7R1.18 N=C(N)C1CCC1 9638AJ [0,0,1,1,0,0|1,0,1]=4 524 B7R1.20 CC(C)NC1CC1 V4644 [0,0,1,1,0,0|2,0,0]=4 525 B7R1.24 C1=CCCCCC1 7508AL [0,0,1,1,0,0|1,0,1]=4 526 B7R2.13 C1CC2CC2N1 1555AJ [1,0,0,1,0,0|1,0,0]=3 527 B7R2.13 C1NCC2CC12 Z1877 [1,0,0,1,0,0|1,0,0]=3 528 B9R2.6 CC12CCCCC1O2 4898AL [0,0,0,1,0,1|1,0,0]=3 529 B9R2.7 [C@H]12CCC[C@H]1NC2=O 6574AJ [0,0,0,1,0,1|1,0,1]=4 530 B9R2.52 C1CCC2OC2CC1 0011AQ [0,0,0,1,0,1|1,0,0]=3 531 B9R2.68 C1CC2CNCC1N2 Z5317 [0,0,0,1,0,1|0,0,0]=2 532 B9R2.68 C1CC2COCC1N2 2700AB [0,0,0,1,0,1|0,0,0]=2 533 B9R2.109 O=C1CCCC2CC12 3165AL [0,0,0,1,0,1|1,0,1]=4 534 B9R2.24 C12CCC(CC1)C2Br 3754AD [0,1,0,1,0,0|1,0,0]=3 535 B9R2.49 C1CC2CCC1CN2 2711AB [0,1,0,1,0,0|0,0,0]=2 536 B9R2.49 C1CC2CCC1CN2 6065AE [0,1,0,1,0,0|0,0,0]=2 537 B9R2.174 C1CC2(CCN1)CC2 0899AA [0,1,0,1,0,0|2,0,0]=4 538 B9R2.174 C1CCC2(CC1)CO2 V3970 [0,1,0,1,0,0|1,0,0]=3 539 B9R2.8 CN1CC2CC(C1)N2 2336AJ [0,1,0,1,0,0|1,0,0]=3 540 B9R2.39 ClC1CC2CCC1C2 1378AQ [0,1,0,1,0,0|1,0,0]=3 541 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 3675AA [0,1,0,1,0,0|0,0,0]=2 542 B9R2.39 [C@@H]12CC[C@@H](C[C@@H]1Br)C2 3427AL [0,1,0,1,0,0|1,0,0]=3 543 B9R2.95 FC1(F)C2CNCC21 1194AD [0,1,0,1,0,0|2,0,0]=4 544 B5R1.1 C1CNNC1 Z5309 [1,0,0,0,1,0|2,0,0]=4 545 B5R1.1 C1CNOC1 2460AE [1,0,0,0,1,0|2,0,0]=4 546 B5R1.1 C1CSCS1 0673AQ [1,0,0,0,1,0|2,0,0]=4 547 B5R1.2 C=C1CCC1 3599AL [0,0,0,0,2,0|1,0,1]=4 548 B5R1.2 IC1CNC1 2304AJ [0,0,0,0,2,0|2,0,0]=4 549 B5R1.2 NC1CSC1 V9418 [0,0,0,0,2,0|1,0,0]=3 550 B5R1.2 OC1CSC1 Z6583 [0,0,0,0,2,0|2,0,0]=4