0 B5R0.1 C#CCC(C)O 6664AL [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 C=C(C)CCBr Z4377 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.1 C=C(C)CON 4430AJ [0,0,0,0,0,0|1,0,2]=3 3 B5R0.1 C=CCC(=C)C 5694AL [0,0,0,0,0,0|1,0,3]=4 4 B5R0.1 C=COC(C)C 3476AL [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 CC#CC(C)C 6601AL [0,0,0,0,0,0|1,0,2]=3 6 B5R0.1 CC(Br)CC#N 6005AL [0,0,0,0,0,0|1,0,2]=3 7 B5R0.1 CC(C)=CCCl 7671AJ [0,0,0,0,0,0|1,0,2]=3 8 B5R0.1 CC(C)CCCl 7326AF [0,0,0,0,0,0|1,0,0]=1 9 B5R0.1 CC(C)CON 7310AJ [0,0,0,0,0,0|1,0,0]=1 10 B5R0.1 CC(C)C[Mg]Br 8722AJ [0,0,0,0,0,0|2,0,0]=2 11 B5R0.1 CC(C)N=[N+]=[N-] 8218AE [0,0,0,0,0,0|2,0,1]=3 12 B5R0.1 CC(O)CON 3604AB [0,0,0,0,0,0|2,0,0]=2 13 B5R0.1 CCC=C(C)C 7499AF [0,0,0,0,0,0|1,0,2]=3 14 B5R0.1 CCOC(C)C 7879AL [0,0,0,0,0,0|2,0,0]=2 15 B5R0.1 CCSC(C)C 7880AL [0,0,0,0,0,0|2,0,0]=2 16 B5R0.1 CNCC(C)=O 4565AF [0,0,0,0,0,0|3,0,1]=4 17 B5R0.1 CNCC(C)C 8603AL [0,0,0,0,0,0|2,0,0]=2 18 B5R0.1 CNCC(C)O 5343AD [0,0,0,0,0,0|3,0,0]=3 19 B5R0.1 CNCC(F)F 8440AH [0,0,0,0,0,0|4,0,0]=4 20 B5R0.1 COCC(C)N 0442AC [0,0,0,0,0,0|3,0,0]=3 21 B5R0.1 COC[C@H](C)O W4988 [0,0,0,0,0,0|3,0,0]=3 22 B5R0.1 CS(=O)CCN 4290AE [0,0,0,0,0,0|2,0,0]=2 23 B5R0.1 C[C@@H](O)CC#N 1173AL [0,0,0,0,0,0|1,0,2]=3 24 B5R0.1 C[C@H](N)CCO 3502AC [0,0,0,0,0,0|2,0,0]=2 25 B5R0.1 C\C(Cl)=C/CCl 4550AL [0,0,0,0,0,0|2,0,2]=4 26 B5R0.1 C\C(Cl)=C\CN 9653AD [0,0,0,0,0,0|1,0,2]=3 27 B5R0.1 C\C(Cl)=C\CO X6578 [0,0,0,0,0,0|2,0,2]=4 28 B5R0.1 C\C=C\C(C)C 7501AF [0,0,0,0,0,0|1,0,2]=3 29 B5R0.1 NOCC(=O)O 2959AB [0,0,0,0,0,0|3,0,1]=4 30 B5R0.1 O=C(O)CCF 6350AB [0,0,0,0,0,0|3,0,1]=4 31 B4R0.1 C#CC(C)N 3873AJ [1,0,0,0,0,0|1,0,2]=4 32 B4R0.1 C#C[C@@H](C)O 4141AL [1,0,0,0,0,0|1,0,2]=4 33 B4R0.1 C#C[C@H](C)N 9107AH [1,0,0,0,0,0|1,0,2]=4 34 B4R0.1 C#C[C@H](C)O 4183AL [1,0,0,0,0,0|1,0,2]=4 35 B4R0.1 C=C=C(C)C 6086AL [1,0,0,0,0,0|0,0,3]=4 36 B4R0.1 C=NN(C)C 7943AL [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 CC(=N)NN 5131AB [1,0,0,0,0,0|2,0,1]=4 38 B4R0.1 CC(O)CF 7060AF [1,0,0,0,0,0|2,0,0]=3 39 B4R0.1 CCC(=O)Br C859 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.1 CC[SiH](Cl)Cl 7902AL [1,0,0,0,0,0|2,1,0]=4 41 B4R0.1 CSC(C)=O 9061AJ [1,0,0,0,0,0|2,0,1]=4 42 B4R0.1 CSC(C)C 8107AL [1,0,0,0,0,0|1,0,0]=2 43 B4R0.1 CS[S+](C)C 7703AL [1,0,0,0,0,0|2,0,0]=3 44 B4R0.1 C[C@@H](O)CN V4887 [1,0,0,0,0,0|1,0,0]=2 45 B4R0.1 C[C@H](O)CCl E885 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.1 C\C=C(/C)Cl 5560AL [1,0,0,0,0,0|1,0,2]=4 47 B4R0.1 C\C=C(\C)Cl 4247AL [1,0,0,0,0,0|1,0,2]=4 48 B4R0.1 FC(Cl)CCl 3256AE [1,0,0,0,0,0|3,0,0]=4 49 B4R0.1 NCC(=O)O 7986AL [1,0,0,0,0,0|2,0,1]=4 50 B4R0.1 NCC(=O)[O-] P522 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.1 NCC(=O)[O-] Z1943 [1,0,0,0,0,0|2,0,1]=4 52 B4R0.2 C#CCCI 6186AJ [1,0,0,0,0,0|1,0,2]=4 53 B4R0.2 C#CCON 4433AJ [1,0,0,0,0,0|1,0,2]=4 54 B4R0.2 CCCCF 8004AD [1,0,0,0,0,0|1,0,0]=2 55 B4R0.2 CCCCN 7306AL [1,0,0,0,0,0|0,0,0]=1 56 B4R0.2 CCCNN 4415AE [1,0,0,0,0,0|1,0,0]=2 57 B4R0.2 CCCOC 4896AL [1,0,0,0,0,0|2,0,0]=3 58 B4R0.2 CCCSC U677 [1,0,0,0,0,0|2,0,0]=3 59 B4R0.2 CCNCC 7650AL [1,0,0,0,0,0|2,0,0]=3 60 B4R0.2 CNCC#N 8258AL [1,0,0,0,0,0|1,0,2]=4 61 B4R0.2 CSCCCl 7809AB [1,0,0,0,0,0|2,0,0]=3 62 B4R0.2 C\C=C/CC 7428AL [1,0,0,0,0,0|1,0,2]=4 63 B4R0.2 N#CCCS 0102AP [1,0,0,0,0,0|1,0,2]=4 64 B4R0.2 NCCON 7871AA [1,0,0,0,0,0|2,0,0]=3 65 B4R0.2 NCCON W5869 [1,0,0,0,0,0|2,0,0]=3 66 B6R0.1 C#CC(O)CCC X7102 [0,1,0,0,0,0|2,0,1]=4 67 B6R0.1 C#CCC(O)CC 6781AL [0,1,0,0,0,0|2,0,1]=4 68 B6R0.1 C=CC(C)CCC 6092AL [0,1,0,0,0,0|1,0,1]=3 69 B6R0.1 CCC(O)CNN 2943AE [0,1,0,0,0,0|2,0,0]=3 70 B6R0.1 CCCC(=O)SC 8847AJ [0,1,0,0,0,0|2,0,1]=4 71 B6R0.1 CCCC(Br)CC 3975AB [0,1,0,0,0,0|2,0,0]=3 72 B6R0.1 CCCC(C)CC 7810AF [0,1,0,0,0,0|1,0,0]=2 73 B6R0.1 CCCC(C)CO 1207AA [0,1,0,0,0,0|1,0,0]=2 74 B6R0.1 CCCC(O)CC 7557AF [0,1,0,0,0,0|2,0,0]=3 75 B6R0.1 CCNC(C)CC 7145AD [0,1,0,0,0,0|2,0,0]=3 76 B6R0.1 CCOC(C)CN 0082AD [0,1,0,0,0,0|2,0,0]=3 77 B6R0.1 CCOC(C)CN Y4465 [0,1,0,0,0,0|2,0,0]=3 78 B6R0.1 CC[C@@H](N)COC 8948AH [0,1,0,0,0,0|3,0,0]=4 79 B6R0.1 CC[C@H](C)CCO 4202AL [0,1,0,0,0,0|1,0,0]=2 80 B6R0.1 CC[C@H](N)COC 9106AH [0,1,0,0,0,0|3,0,0]=4 81 B6R0.1 CNC(=O)CCN 4757AE [0,1,0,0,0,0|1,0,1]=3 82 B6R0.1 CNC(=O)CCO 8079AE [0,1,0,0,0,0|2,0,1]=4 83 B6R0.1 CNCC(C)OC 1691AF [0,1,0,0,0,0|2,0,0]=3 84 B6R0.1 COC(=O)CCCl X6204 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.1 C[C@H](CO)CCO 1249AL [0,1,0,0,0,0|1,0,0]=2 86 B6R0.1 N#CCC(O)CCl R248 [0,1,0,0,0,0|1,0,2]=4 87 B6R0.1 OC(CCl)CCCl 4625AL [0,1,0,0,0,0|2,0,0]=3 88 B6R0.1 O[C@H](CBr)CCBr 9809AB [0,1,0,0,0,0|2,0,0]=3 89 B6R0.2 CC(C)CC(C)C 7809AF [0,1,0,0,0,0|1,0,0]=2 90 B6R0.2 CC(C)CC(C)N I823 [0,1,0,0,0,0|0,0,0]=1 91 B6R0.2 CC(C)O[N+](=O)[O-] F423 [0,1,0,0,0,0|3,0,0]=4 92 B6R0.2 CC(N)CN(C)C 8452AC [0,1,0,0,0,0|1,0,0]=2 93 B6R0.2 CC(O)C[N+](=O)[O-] 0004AE [0,1,0,0,0,0|3,0,0]=4 94 B6R0.2 CN(C)CC(=O)[O-] 9593AA [0,1,0,0,0,0|2,0,1]=4 95 B6R0.2 CN(C)NC(N)=O 4373AL [0,1,0,0,0,0|2,0,1]=4 96 B6R0.2 C[C@H](Br)CC(=O)O V0016 [0,1,0,0,0,0|2,0,1]=4 97 B6R0.2 C[C@H](O)CN(C)C 7646AB [0,1,0,0,0,0|2,0,0]=3 98 B6R0.3 CC(=O)C(N)CO 6844AC [0,1,0,0,0,0|2,0,1]=4 99 B6R0.3 CC(C)C(O)C#N 4772AD [0,1,0,0,0,0|0,0,2]=3 100 B6R0.3 CC(C)[C@H](N)CO 8725AA [0,1,0,0,0,0|1,0,0]=2 101 B6R0.3 CC(CN)N(C)C 6653AD [0,1,0,0,0,0|1,0,0]=2 102 B6R0.3 CCC(=O)C(C)Br 5539AL [0,1,0,0,0,0|2,0,1]=4 103 B6R0.3 CCC(=O)C(C)S 5675AL [0,1,0,0,0,0|2,0,1]=4 104 B6R0.3 CCC(C)C(C)=O U423 [0,1,0,0,0,0|2,0,1]=4 105 B6R0.3 CCC(C)C(C)C 5239AL [0,1,0,0,0,0|1,0,0]=2 106 B6R0.3 CCC(S)C(C)=O 9471AJ [0,1,0,0,0,0|2,0,1]=4 107 B6R0.3 CN(C)C(=O)CI 1440AC [0,1,0,0,0,0|2,0,1]=4 108 B6R0.3 CN(C)C(=O)CN W4015 [0,1,0,0,0,0|1,0,1]=3 109 B6R0.3 CN(C)C(=O)CN Z5718 [0,1,0,0,0,0|1,0,1]=3 110 B6R0.3 CN(C)C(=O)NN 2785AE [0,1,0,0,0,0|2,0,1]=4 111 B6R0.3 CN(C)C(=S)NN 8233AE [0,1,0,0,0,0|2,0,1]=4 112 B6R0.3 COC(C)C(C)O V6491 [0,1,0,0,0,0|3,0,0]=4 113 B6R0.3 C[C@@H](CN)C(=O)O 5650AC [0,1,0,0,0,0|2,0,1]=4 114 B6R0.3 C[C@@H](CN)C(=O)O 5862AB [0,1,0,0,0,0|2,0,1]=4 115 B6R0.3 C[C@H](O)[C@H](N)CO Z5595 [0,1,0,0,0,0|2,0,0]=3 116 B6R0.3 NCC(N)C(=O)O 3293AL [0,1,0,0,0,0|2,0,1]=4 117 B6R0.3 NC[C@H](N)C(=O)O 0179AB [0,1,0,0,0,0|2,0,1]=4 118 B6R0.4 C=C(C)CCCC 5699AL [0,1,0,0,0,0|1,0,2]=4 119 B6R0.4 C=C(C)CCCO 2774AL [0,1,0,0,0,0|1,0,2]=4 120 B6R0.4 C=CCCC(=C)C 5696AL [0,1,0,0,0,0|1,0,2]=4 121 B6R0.4 C=CCCC(C)C 6791AL [0,1,0,0,0,0|1,0,0]=2 122 B6R0.4 CC(=O)NCCCl W8163 [0,1,0,0,0,0|2,0,1]=4 123 B6R0.4 CC(=O)OCCCl 7237AF [0,1,0,0,0,0|2,0,1]=4 124 B6R0.4 CC(=O)SCCN 5884AD [0,1,0,0,0,0|1,0,1]=3 125 B6R0.4 CC(C)CCC=O Y1162 [0,1,0,0,0,0|1,0,0]=2 126 B6R0.4 CC(C)CCCCl 6814AE [0,1,0,0,0,0|1,0,0]=2 127 B6R0.4 CC(C)CCCN 7575AF [0,1,0,0,0,0|0,0,0]=1 128 B6R0.4 CC(C)NCC#N Y7768 [0,1,0,0,0,0|0,0,2]=3 129 B6R0.4 CC(C)NCCCl 9576AB [0,1,0,0,0,0|1,0,0]=2 130 B6R0.4 CC(C)OCCN 2664AC [0,1,0,0,0,0|0,0,0]=1 131 B6R0.4 CCCC=C(C)C 5704AL [0,1,0,0,0,0|1,0,1]=3 132 B6R0.4 CCCCC(C)C 5734AL [0,1,0,0,0,0|1,0,0]=2 133 B6R0.4 CCCCC(C)Cl 5578AL [0,1,0,0,0,0|2,0,0]=3 134 B6R0.4 CCCCC(C)O 9467AB [0,1,0,0,0,0|2,0,0]=3 135 B6R0.4 CCCNC(C)C 7560AH [0,1,0,0,0,0|1,0,0]=2 136 B6R0.4 CCCSC(C)C 8111AL [0,1,0,0,0,0|1,0,0]=2 137 B6R0.4 CCNCC(C)O 2626AE [0,1,0,0,0,0|2,0,0]=3 138 B6R0.4 CN(C)CCNN 5929AE [0,1,0,0,0,0|1,0,0]=2 139 B6R0.4 CNCCC(=O)O 5026AF [0,1,0,0,0,0|2,0,1]=4 140 B6R0.4 CNCCN(C)C J70105 [0,1,0,0,0,0|1,0,0]=2 141 B6R0.4 COCCC(C)=O B939 [0,1,0,0,0,0|2,0,1]=4 142 B6R0.4 C\C=C\CC(C)C 6798AL [0,1,0,0,0,0|1,0,1]=3 143 B6R0.5 C=CCC(C)(C)C 6312AL [0,1,0,0,0,0|1,0,1]=3 144 B6R0.5 C=COC(C)(C)C 9102AJ [0,1,0,0,0,0|2,0,1]=4 145 B6R0.5 CC(C)(C)CC#N X4017 [0,1,0,0,0,0|0,0,2]=3 146 B6R0.5 CC(C)(C)NC#N 7313AF [0,1,0,0,0,0|1,0,2]=4 147 B6R0.5 CC(C)(O)CCCl 0206AB [0,1,0,0,0,0|1,0,0]=2 148 B6R0.5 CCNC(C)(C)C 3737AE [0,1,0,0,0,0|2,0,0]=3 149 B6R0.5 CNCC(C)(C)C 0063AE [0,1,0,0,0,0|2,0,0]=3 150 B6R0.5 CS(=O)(=O)CCBr 5490AJ [0,1,0,0,0,0|3,0,0]=4 151 B6R0.5 CS(=O)(=O)CCCl 4525AE [0,1,0,0,0,0|3,0,0]=4 152 B6R0.5 C[N+](C)(C)CCO 2907AC [0,1,0,0,0,0|2,0,0]=3 153 B6R0.5 ClCCC(Cl)(Cl)Cl 9273AJ [0,1,0,0,0,0|3,0,0]=4 154 B6R0.5 FC(F)(F)CCBr 3975AE [0,1,0,0,0,0|3,0,0]=4 155 B6R0.5 NOCC(F)(F)F 0558AC [0,1,0,0,0,0|3,0,0]=4 156 B6R1.2 CC1=CCCC1 9313AJ [0,0,0,1,0,0|1,0,2]=4 157 B6R1.2 CC1CCCN1 0591AQ [0,0,0,1,0,0|2,0,0]=3 158 B6R1.2 CC1CCCS1 7972AJ [0,0,0,1,0,0|2,0,0]=3 159 B6R1.2 CC1CCNC1 X9461 [0,0,0,1,0,0|0,0,0]=1 160 B6R1.2 CC1CCOC1 6124AL [0,0,0,1,0,0|1,0,0]=2 161 B6R1.2 CC1COCO1 6593AL [0,0,0,1,0,0|2,0,0]=3 162 B6R1.2 CC1OCCO1 7260AF [0,0,0,1,0,0|3,0,0]=4 163 B6R1.2 C[C@@H]1CCNC1 1585AB [0,0,0,1,0,0|0,0,0]=1 164 B6R1.2 C[C@H]1CCNC1 W4034 [0,0,0,1,0,0|0,0,0]=1 165 B6R1.2 FC1CCCC1 7941AL [0,0,0,1,0,0|2,0,0]=3 166 B6R1.2 FC1CCNC1 X9172 [0,0,0,1,0,0|1,0,0]=2 167 B6R1.2 F[C@H]1CCNC1 9169AH [0,0,0,1,0,0|1,0,0]=2 168 B6R1.2 NC1CC=CC1 W9476 [0,0,0,1,0,0|2,0,1]=4 169 B6R1.2 NC1CCOC1 W9158 [0,0,0,1,0,0|2,0,0]=3 170 B6R1.2 NN1CCCC1 8436AA [0,0,0,1,0,0|3,0,0]=4 171 B6R1.2 N[C@H]1CCNC1 N118 [0,0,0,1,0,0|1,0,0]=2 172 B6R1.2 O[C@@H]1CCSC1 1245AL [0,0,0,1,0,0|2,0,0]=3 173 B6R1.2 O[C@H]1CCSC1 Y1948 [0,0,0,1,0,0|2,0,0]=3 174 B6R1.3 BrC#CC1CC1 5100AJ [0,0,0,1,0,0|1,0,2]=4 175 B6R1.3 CCCC1CO1 4468AL [0,0,0,1,0,0|2,0,0]=3 176 B6R1.3 CCNC1CC1 2347AB [0,0,0,1,0,0|2,0,0]=3 177 B6R1.3 CCNC1CC1 3977AJ [0,0,0,1,0,0|2,0,0]=3 178 B6R1.3 CCNC1CC1 4401AJ [0,0,0,1,0,0|2,0,0]=3 179 B6R1.3 COCC1CO1 1812AL [0,0,0,1,0,0|3,0,0]=4 180 B6R1.3 COC[C@@H]1CO1 9238AJ [0,0,0,1,0,0|3,0,0]=4 181 B6R1.3 COC[C@H]1CO1 9221AJ [0,0,0,1,0,0|3,0,0]=4 182 B6R1.3 ICCC1CC1 8514AH [0,0,0,1,0,0|1,0,0]=2 183 B6R1.3 O=C=NC1CC1 X4805 [0,0,0,1,0,0|2,0,1]=4 184 B6R1.3 OCCC1CC1 8510AD [0,0,0,1,0,0|1,0,0]=2 185 B6R1.5 CN1CC(N)C1 6718AC [0,0,0,1,0,0|1,0,0]=2 186 B6R1.5 CN1CC(O)C1 8767AC [0,0,0,1,0,0|2,0,0]=3 187 B6R1.5 NC1CC(O)C1 0869AA [0,0,0,1,0,0|1,0,0]=2 188 B6R1.5 O=C1CC(Br)C1 8034AD [0,0,0,1,0,0|2,0,1]=4 189 B6R1.9 NC1CC1(F)F 8236AC [0,0,0,1,0,0|2,0,0]=3 190 B6R1.10 CC1(C)CCN1 Y7008 [0,0,0,1,0,0|0,0,0]=1 191 B6R1.10 CC1(N)CCC1 X5278 [0,0,0,1,0,0|2,0,0]=3 192 B6R1.10 CC1(N)COC1 6470AA [0,0,0,1,0,0|3,0,0]=4 193 B6R1.10 CC1(N)COC1 W8972 [0,0,0,1,0,0|3,0,0]=4 194 B6R1.11 CC(=O)C1CO1 3696AE [0,0,0,1,0,0|2,0,1]=4 195 B6R1.11 C[C@@H](N)C1CC1 1191AL [0,0,0,1,0,0|2,0,0]=3 196 B6R1.11 O=C(O)C1CN1 7766AB [0,0,0,1,0,0|2,0,1]=4 197 B3R0.1 CCCF 3973AE [2,0,0,0,0,0|1,0,0]=3 198 B3R0.1 CCCN 8883AL [2,0,0,0,0,0|0,0,0]=2 199 B3R0.1 NCCN 4103AL [2,0,0,0,0,0|1,0,0]=3 200 B3R0.1 NCCN 6791AA [2,0,0,0,0,0|1,0,0]=3 201 B3R0.1 NCCN 6876AF [2,0,0,0,0,0|1,0,0]=3 202 B3R0.1 NCCN 7518AA [2,0,0,0,0,0|1,0,0]=3 203 B3R0.1 NCCN 9393AJ [2,0,0,0,0,0|1,0,0]=3 204 B3R0.1 NCCN E395 [2,0,0,0,0,0|1,0,0]=3 205 B3R0.2 C=[N+](C)C X4459 [2,0,0,0,0,0|1,0,1]=4 206 B3R0.2 CC(=N)N 6978AL [2,0,0,0,0,0|1,0,1]=4 207 B3R0.2 CC(Br)Br 4360AL [2,0,0,0,0,0|2,0,0]=4 208 B3R0.2 C[PH](C)=O 3279AL [2,0,0,0,0,0|2,0,0]=4 209 B3R0.2 C[S+](C)C 9165AJ [2,0,0,0,0,0|1,0,0]=3 210 B5R0.3 C#CC(O)CC X7089 [1,1,0,0,0,0|1,0,1]=4 211 B5R0.3 C=CC(C)ON 4429AJ [1,1,0,0,0,0|1,0,1]=4 212 B5R0.3 CC(CN)CN 1710AB [1,1,0,0,0,0|0,0,0]=2 213 B5R0.3 CCC(=O)CN X8894 [1,1,0,0,0,0|1,0,1]=4 214 B5R0.3 CCC(=O)CO X5132 [1,1,0,0,0,0|1,0,1]=4 215 B5R0.3 CCC(=S)OC R571 [1,1,0,0,0,0|1,0,1]=4 216 B5R0.3 CCC(C)C#N 9871AA [1,1,0,0,0,0|0,0,1]=3 217 B5R0.3 CCC(C)CCl U282 [1,1,0,0,0,0|0,0,0]=2 218 B5R0.3 CCC(C)CS U578 [1,1,0,0,0,0|0,0,0]=2 219 B5R0.3 CCC(C)NN 9798AD [1,1,0,0,0,0|1,0,0]=3 220 B5R0.3 CCC(O)C#N 7246AF [1,1,0,0,0,0|1,0,1]=4 221 B5R0.3 CCC(O)CBr 4766AL [1,1,0,0,0,0|1,0,0]=3 222 B5R0.3 CCC(S)CS 4441AL [1,1,0,0,0,0|1,0,0]=3 223 B5R0.3 CNC(C)C#N V3698 [1,1,0,0,0,0|0,0,2]=4 224 B5R0.3 CN[C@@H](C)CO X7940 [1,1,0,0,0,0|1,0,0]=3 225 B5R0.3 COC(C)C#N 0627AE [1,1,0,0,0,0|0,0,2]=4 226 B5R0.3 CO[SiH](C)OC I516 [1,1,0,0,0,0|1,1,0]=4 227 B5R0.3 C\C=C(/C)CC 0241AQ [1,1,0,0,0,0|0,0,1]=3 228 B5R0.3 C\C=C(/C)CC 9220AL [1,1,0,0,0,0|0,0,1]=3 229 B5R0.3 C\C=C(\C)CC 7440AL [1,1,0,0,0,0|0,0,1]=3 230 B5R0.3 FCC(Br)CBr 3889AE [1,1,0,0,0,0|2,0,0]=4 231 B5R0.3 NCC(Br)CBr 5327AJ [1,1,0,0,0,0|1,0,0]=3 232 B5R0.3 OC(CCl)CBr 7042AF [1,1,0,0,0,0|2,0,0]=4 233 B5R0.3 OC[C@@H](O)CF 1216AL [1,1,0,0,0,0|2,0,0]=4 234 B5R0.4 CC(C)(Br)C=O 5926AA [1,1,0,0,0,0|1,0,1]=4 235 B5R0.4 CC(C)(I)C#N 5659AL [1,1,0,0,0,0|0,0,2]=4 236 B5R0.4 CCC(C)(Cl)Cl 5119AL [1,1,0,0,0,0|1,0,0]=3 237 B5R0.4 CS[Si](C)(C)C V3240 [1,1,0,0,0,0|1,1,0]=4 238 B5R0.4 C[Si](C)(C)ON 1405AB [1,1,0,0,0,0|1,1,0]=4 239 B5R0.5 C=C(C)C(C)C 5230AL [1,1,0,0,0,0|0,0,1]=3 240 B5R0.5 CC(=O)C(C)F 0085AF [1,1,0,0,0,0|1,0,1]=4 241 B5R0.5 CC(Cl)C(Cl)Cl 7030AF [1,1,0,0,0,0|2,0,0]=4 242 B5R0.5 CC(N)C(C)O 7117AF [1,1,0,0,0,0|1,0,0]=3 243 B5R0.5 CC(O)C(=N)N 2094AL [1,1,0,0,0,0|1,0,1]=4 244 B5R0.5 CC(S)C(C)S 9352AJ [1,1,0,0,0,0|1,0,0]=3 245 B5R0.5 C[C@@H](O)C(=N)N X6061 [1,1,0,0,0,0|1,0,1]=4 246 B5R0.5 C[C@H](N)C(N)=O 7048AH [1,1,0,0,0,0|1,0,1]=4 247 B5R0.2 C#CCCCBr 9466AL [1,1,0,0,0,0|1,0,1]=4 248 B5R0.2 C=CCCCN 7616AH [1,1,0,0,0,0|0,0,1]=3 249 B5R0.2 C=CCCON 2267AA [1,1,0,0,0,0|0,0,2]=4 250 B5R0.2 C=CCOCC 5601AE [1,1,0,0,0,0|1,0,1]=4 251 B5R0.2 CC#CCCO 6150AL [1,1,0,0,0,0|1,0,1]=4 252 B5R0.2 CCCCOC 7303AL [1,1,0,0,0,0|1,0,0]=3 253 B5R0.2 CCCNCC 8554AL [1,1,0,0,0,0|1,0,0]=3 254 B5R0.2 CCCOCC 7892AL [1,1,0,0,0,0|1,0,0]=3 255 B5R0.2 CCCOCCl 4494AB [1,1,0,0,0,0|1,0,0]=3 256 B5R0.2 CCCSCC R576 [1,1,0,0,0,0|1,0,0]=3 257 B5R0.2 CCOCCCl 7903AJ [1,1,0,0,0,0|1,0,0]=3 258 B5R0.2 CCOCCN 3903AD [1,1,0,0,0,0|0,0,0]=2 259 B5R0.2 CC[Se][Se]CC 7651AL [1,1,0,0,0,0|2,0,0]=4 260 B5R0.2 CNCCSC 7146AJ [1,1,0,0,0,0|1,0,0]=3 261 B5R0.2 COCCCI 9890AH [1,1,0,0,0,0|1,0,0]=3 262 B5R0.2 COCCON Y9404 [1,1,0,0,0,0|1,0,0]=3 263 B5R0.2 ClCCOCCl 7247AA [1,1,0,0,0,0|2,0,0]=4 264 B5R0.2 NCC#CCCl 5604AH [1,1,0,0,0,0|0,0,2]=4 265 B5R0.2 NC\C=C/CN Z2171 [1,1,0,0,0,0|0,0,2]=4 266 B5R0.2 [C-]#[N+]CCOC V5938 [1,1,0,0,0,0|1,0,1]=4 267 B5R0.2 [N-]=[N+]=NCCN 9854AL [1,1,0,0,0,0|2,0,0]=4 268 B7R0.2 C#CC(O)CC(C)C 6792AL [0,2,0,0,0,0|1,0,0]=3 269 B7R0.2 C=C(C)CC(C)CC 5312AL [0,2,0,0,0,0|1,0,1]=4 270 B7R0.2 CC(C)CC(N)C#N 5444AJ [0,2,0,0,0,0|0,0,0]=2 271 B7R0.2 CC(C)NC(=O)CBr 1764AC [0,2,0,0,0,0|1,0,1]=4 272 B7R0.2 CC(C)NC(=O)CN 6712AE [0,2,0,0,0,0|0,0,1]=3 273 B7R0.2 CC(O)CC(=O)NN 8247AD [0,2,0,0,0,0|1,0,1]=4 274 B7R0.2 CCC(C)CC(C)C 5322AL [0,2,0,0,0,0|1,0,0]=3 275 B7R0.2 CN(C)CC(=O)NN W6825 [0,2,0,0,0,0|1,0,1]=4 276 B7R0.2 CN(C)CC(O)CCl 4719AE [0,2,0,0,0,0|2,0,0]=4 277 B7R0.2 CN(C)CC(O)CN V6256 [0,2,0,0,0,0|1,0,0]=3 278 B7R0.2 COC(C)CC(=O)O 0132AA [0,2,0,0,0,0|1,0,1]=4 279 B7R0.2 COC(C)CC(C)O 5636AH [0,2,0,0,0,0|1,0,0]=3 280 B7R0.3 C#CCOC(C)CO X0064 [0,2,0,0,0,0|1,0,1]=4 281 B7R0.3 C=CCCC(Br)CBr 4446AL [0,2,0,0,0,0|2,0,0]=4 282 B7R0.3 CCC(=O)NCCN 3366AF [0,2,0,0,0,0|1,0,1]=4 283 B7R0.3 CCC(Cl)CCCCl 4475AE [0,2,0,0,0,0|2,0,0]=4 284 B7R0.3 CCCCC(C)CC 6251AE [0,2,0,0,0,0|1,0,0]=3 285 B7R0.3 CCCCC(O)CC 8762AB [0,2,0,0,0,0|2,0,0]=4 286 B7R0.3 CCCNC(C)CC 2356AE [0,2,0,0,0,0|1,0,0]=3 287 B7R0.3 CCC\C=C(/C)CC 6104AL [0,2,0,0,0,0|1,0,1]=4 288 B7R0.3 CCN(C)CCC#N 5584AE [0,2,0,0,0,0|1,0,1]=4 289 B7R0.3 CCN(C)CCCO 4272AE [0,2,0,0,0,0|2,0,0]=4 290 B7R0.3 CCOCC(N)CC 8270AE [0,2,0,0,0,0|2,0,0]=4 291 B7R0.3 CNCCC(=O)NC 5845AE [0,2,0,0,0,0|1,0,1]=4 292 B7R0.5 CC(C)C(N)CCO 5799AJ [0,2,0,0,0,0|1,0,0]=3 293 B7R0.5 CC(C)N(C)CCO 2902AB [0,2,0,0,0,0|1,0,0]=3 294 B7R0.5 CC(CCN)N(C)C 6615AE [0,2,0,0,0,0|0,0,0]=2 295 B7R0.5 CC(CCO)N(C)C 9228AD [0,2,0,0,0,0|1,0,0]=3 296 B7R0.5 CCCC(=O)C(C)C 5712AL [0,2,0,0,0,0|1,0,0]=3 297 B7R0.5 CCCC(O)C(C)C 5711AL [0,2,0,0,0,0|1,0,0]=3 298 B7R0.5 COCC(N)C(C)C 9904AH [0,2,0,0,0,0|1,0,0]=3 299 B7R0.5 NCCC(N)C(=O)O W7673 [0,2,0,0,0,0|1,0,1]=4 300 B7R0.5 NCC[C@@H](N)C(=O)O W5006 [0,2,0,0,0,0|1,0,1]=4 301 B7R0.5 NCC[C@H](N)C(=O)O 1360AC [0,2,0,0,0,0|1,0,1]=4 302 B7R0.5 NCC[C@H](N)C(=O)O 7090AH [0,2,0,0,0,0|1,0,1]=4 303 B7R0.7 CCCC(C)CCO 6091AL [0,2,0,0,0,0|1,0,0]=3 304 B7R0.7 CCCN(C)CCC 0883AE [0,2,0,0,0,0|2,0,0]=4 305 B7R0.7 CCNC(=O)CCN 1836AD [0,2,0,0,0,0|1,0,1]=4 306 B7R0.7 CCNC(C)CCO 9482AE [0,2,0,0,0,0|1,0,0]=3 307 B7R0.10 C=CC(C)C(C)CC 5904AL [0,2,0,0,0,0|1,0,1]=4 308 B7R0.10 CCC(C)C(=O)NN 8409AE [0,2,0,0,0,0|1,0,1]=4 309 B7R0.10 CCC(C)C(C)CC 5907AL [0,2,0,0,0,0|1,0,0]=3 310 B7R0.10 COC(C)C(=O)NN 2016AF [0,2,0,0,0,0|1,0,1]=4 311 B7R0.10 OC(CCl)C(O)CCl 7787AL [0,2,0,0,0,0|2,0,0]=4 312 B7R0.10 OC[C@H](O)[C@@H](O)CO 8162AL [0,2,0,0,0,0|2,0,0]=4 313 B7R0.10 O[C@@H](CS)[C@@H](O)CS 7309AH [0,2,0,0,0,0|2,0,0]=4 314 B7R0.10 O[C@H](CS)[C@@H](O)CS 3591AH [0,2,0,0,0,0|2,0,0]=4 315 B7R0.11 C=CCC(C)(C)CO 4084AB [0,2,0,0,0,0|1,0,1]=4 316 B7R0.11 CCOC(C)(C)CC 9029AL [0,2,0,0,0,0|2,0,0]=4 317 B7R0.11 CCS(=O)(=O)CCN 5582AD [0,2,0,0,0,0|2,0,0]=4 318 B7R0.11 CNCC(C)(C)CO 8093AA [0,2,0,0,0,0|2,0,0]=4 319 B7R0.11 COC(C)(C)CCN 3408AD [0,2,0,0,0,0|0,0,0]=2 320 B7R0.11 COCC(C)(C)CN 9457AE [0,2,0,0,0,0|2,0,0]=4 321 B7R0.11 COCC(C)(C)CO Y5474 [0,2,0,0,0,0|2,0,0]=4 322 B7R0.12 CCNC(CC)CC 2358AE [0,2,0,0,0,0|2,0,0]=4 323 B7R0.12 CCN[C@@H](CC)CO 2889AC [0,2,0,0,0,0|2,0,0]=4 324 B7R0.12 COC(CC#N)OC 8500AB [0,2,0,0,0,0|0,0,2]=4 325 B7R0.12 COC(CCCl)OC 6016AL [0,2,0,0,0,0|1,0,0]=3 326 B7R0.9 CC(C)(N)CC(=O)O W7151 [0,2,0,0,0,0|1,0,1]=4 327 B7R0.9 CC(O)CC(F)(F)F Z6338 [0,2,0,0,0,0|2,0,0]=4 328 B7R0.9 CN(C)CC(C)(C)N 9307AJ [0,2,0,0,0,0|1,0,0]=3 329 B7R0.16 CC(C)C(C)C(C)C 7982AF [0,2,0,0,0,0|1,0,0]=3 330 B7R0.16 CC(C)C(F)C(=O)O W3426 [0,2,0,0,0,0|1,0,1]=4 331 B7R0.14 CC(C)(C)C(=O)CN 2819AC [0,2,0,0,0,0|0,0,1]=3 332 B7R0.14 CC(C)(C)C(O)CN 1562AL [0,2,0,0,0,0|0,0,0]=2 333 B7R0.14 CNC(C)C(C)(C)C 2628AF [0,2,0,0,0,0|2,0,0]=4 334 B7R0.14 NCC(O)C(F)(F)F 5967AB [0,2,0,0,0,0|2,0,0]=4 335 B7R0.15 CCC(CO)N(C)C 5536AD [0,2,0,0,0,0|2,0,0]=4 336 B7R0.4 C#CCNCC(C)C 7082AC [0,2,0,0,0,0|1,0,0]=3 337 B7R0.4 CC(=O)NCCCN V6432 [0,2,0,0,0,0|1,0,1]=4 338 B7R0.4 CC(C)CCCCO 6988AE [0,2,0,0,0,0|1,0,0]=3 339 B7R0.4 CC(C)CCN=C=O 5158AD [0,2,0,0,0,0|0,0,1]=3 340 B7R0.4 CC(C)COCCN 0042AD [0,2,0,0,0,0|0,0,0]=2 341 B7R0.4 CC(C)CSCCO 5051AL [0,2,0,0,0,0|1,0,0]=3 342 B7R0.4 CC(C)NCCC#N 8236AE [0,2,0,0,0,0|0,0,1]=3 343 B7R0.4 CC(C)OCCC#N X5661 [0,2,0,0,0,0|0,0,1]=3 344 B7R0.4 CC(C)OCCCCl U192 [0,2,0,0,0,0|1,0,0]=3 345 B7R0.4 CC(C)OCCCO 9315AD [0,2,0,0,0,0|1,0,0]=3 346 B7R0.4 CC(O)CNCCO 7542AE [0,2,0,0,0,0|2,0,0]=4 347 B7R0.4 CCCCCC(C)C 5733AL [0,2,0,0,0,0|1,0,0]=3 348 B7R0.4 CCCCCC(C)Cl 5577AL [0,2,0,0,0,0|2,0,0]=4 349 B7R0.4 CCCCNC(C)C 2334AE [0,2,0,0,0,0|1,0,0]=3 350 B7R0.4 CN(C)CCCCN 1354AE [0,2,0,0,0,0|1,0,0]=3 351 B7R0.4 COCCNC(C)C 8018AC [0,2,0,0,0,0|1,0,0]=3 352 B7R0.6 C=C(C)CCC(C)C 5371AL [0,2,0,0,0,0|1,0,0]=3 353 B7R0.6 CC(=O)CCN(C)C 8474AD [0,2,0,0,0,0|1,0,1]=4 354 B7R0.6 CC(C)CCC(=O)O 9893AB [0,2,0,0,0,0|1,0,0]=3 355 B7R0.6 CC(C)CCC(C)Br 5483AJ [0,2,0,0,0,0|1,0,0]=3 356 B7R0.6 CC(C)CCC(C)C 5381AL [0,2,0,0,0,0|1,0,0]=3 357 B7R0.6 CC(C)NCC(N)=O V7257 [0,2,0,0,0,0|0,0,1]=3 358 B7R0.6 CN(C)CCN(C)C 2336AA [0,2,0,0,0,0|1,0,0]=3 359 B7R0.6 C[S+](C)CCC(=O)O 4030AL [0,2,0,0,0,0|2,0,0]=4 360 B7R0.8 CC(C)(C)C#CCN 6027AJ [0,2,0,0,0,0|0,0,1]=3 361 B7R0.8 CC(C)(C)OCCN 4886AH [0,2,0,0,0,0|0,0,0]=2 362 B7R0.8 CC(C)(O)CCCN 6321AJ [0,2,0,0,0,0|0,0,0]=2 363 B7R0.8 CCCCC(C)(C)C 5136AL [0,2,0,0,0,0|1,0,0]=3 364 B7R0.8 CCCC[Si](C)(C)Cl 8911AJ [0,2,0,0,0,0|1,1,0]=4 365 B7R0.8 CCNCC(C)(C)O 9524AH [0,2,0,0,0,0|1,0,0]=3 366 B7R0.8 CNCCC(C)(C)C 9066AC [0,2,0,0,0,0|0,0,0]=2 367 B7R0.8 CS(=O)(=O)NCCN V7900 [0,2,0,0,0,0|2,0,0]=4 368 B7R0.8 C[Si](C)(C)CCON 8695AL [0,2,0,0,0,0|0,1,0]=3 369 B7R0.8 NCCOC(F)(F)F 1884AF [0,2,0,0,0,0|2,0,0]=4 370 B5R1.2 IC1CNC1 2304AJ [1,0,0,1,0,0|1,0,0]=3 371 B5R1.3 CNC1CC1 X4771 [1,0,0,1,0,0|1,0,0]=3 372 B5R1.3 [C-]#[N+]C1CC1 6101AE [1,0,0,1,0,0|1,0,1]=4 373 B5R1.4 N[C@@H]1C[C@H]1N 3501AB [1,0,0,1,0,0|1,0,0]=3 374 B5R1.5 CC1(C)CS1 8089AL [1,0,0,1,0,0|1,0,0]=3 375 B5R1.1 C1=NNCC1 5793AL [1,0,0,1,0,0|1,0,1]=4 376 B5R1.1 C1CNNC1 Z5309 [1,0,0,1,0,0|1,0,0]=3 377 B5R1.1 C1CSCS1 0673AQ [1,0,0,1,0,0|2,0,0]=4 378 B7R1.1 BrCC1CCCN1 6324AA [0,1,0,1,0,0|2,0,0]=4 379 B7R1.1 BrCC1CCOC1 8390AA [0,1,0,1,0,0|1,0,0]=3 380 B7R1.1 C=CC1CCCC1 9406AL [0,1,0,1,0,0|1,0,1]=4 381 B7R1.1 CCC1CCCC1 7901AL [0,1,0,1,0,0|1,0,0]=3 382 B7R1.1 CCC1CCCN1 7143AC [0,1,0,1,0,0|2,0,0]=4 383 B7R1.1 CCC1CCNC1 9496AE [0,1,0,1,0,0|0,0,0]=2 384 B7R1.1 CCN1CCCC1 8555AL [0,1,0,1,0,0|2,0,0]=4 385 B7R1.1 CN[C@@H]1CCNC1 X6025 [0,1,0,1,0,0|0,0,0]=2 386 B7R1.1 CN[C@@H]1CCOC1 2045AJ [0,1,0,1,0,0|1,0,0]=3 387 B7R1.1 CN[C@@H]1CCOC1 9048AH [0,1,0,1,0,0|1,0,0]=3 388 B7R1.1 CN[C@H]1CCNC1 6721AA [0,1,0,1,0,0|0,0,0]=2 389 B7R1.1 CN[C@H]1CCOC1 2048AJ [0,1,0,1,0,0|1,0,0]=3 390 B7R1.1 COC1CCNC1 Z4122 [0,1,0,1,0,0|0,0,0]=2 391 B7R1.1 ClCC1CCCC1 Z6552 [0,1,0,1,0,0|1,0,0]=3 392 B7R1.1 ClCC1CCOC1 2028AJ [0,1,0,1,0,0|1,0,0]=3 393 B7R1.1 ClC[C@@H]1CCCN1 4318AB [0,1,0,1,0,0|2,0,0]=4 394 B7R1.1 ClC[C@@H]1CCCN1 9398AA [0,1,0,1,0,0|2,0,0]=4 395 B7R1.1 ICC1CCCC1 Y8539 [0,1,0,1,0,0|1,0,0]=3 396 B7R1.1 NCC1CCCC1 3974AJ [0,1,0,1,0,0|1,0,0]=3 397 B7R1.1 NCC1CCNC1 0361AC [0,1,0,1,0,0|0,0,0]=2 398 B7R1.1 NC[C@@H]1CCCN1 O008 [0,1,0,1,0,0|2,0,0]=4 399 B7R1.1 NC[C@@H]1CCCO1 Z5557 [0,1,0,1,0,0|2,0,0]=4 400 B7R1.1 NC[C@H]1CCCN1 1217AC [0,1,0,1,0,0|2,0,0]=4 401 B7R1.1 NC[C@H]1CCCN1 Z3950 [0,1,0,1,0,0|2,0,0]=4 402 B7R1.1 NNC1CCCC1 9797AD [0,1,0,1,0,0|2,0,0]=4 403 B7R1.1 NNC1CCOC1 4448AJ [0,1,0,1,0,0|2,0,0]=4 404 B7R1.1 NNC1CCOC1 9248AH [0,1,0,1,0,0|2,0,0]=4 405 B7R1.1 OCC1CCNC1 W6601 [0,1,0,1,0,0|0,0,0]=2 406 B7R1.1 OCC1CCNC1 W7609 [0,1,0,1,0,0|0,0,0]=2 407 B7R1.1 OC[C@@H]1CCNC1 4311AA [0,1,0,1,0,0|0,0,0]=2 408 B7R1.1 OC[C@@H]1CCOC1 3014AD [0,1,0,1,0,0|1,0,0]=3 409 B7R1.1 OC[C@H]1CCOC1 3025AD [0,1,0,1,0,0|1,0,0]=3 410 B7R1.1 [C-]#[N+]C1CCCC1 7534AL [0,1,0,1,0,0|1,0,1]=4 411 B7R1.2 CC1CNC(=S)N1 7200AD [0,1,0,1,0,0|1,0,1]=4 412 B7R1.2 CN1CCC(=O)C1 B871 [0,1,0,1,0,0|1,0,1]=4 413 B7R1.2 CN1CCC(Br)C1 1332AA [0,1,0,1,0,0|1,0,0]=3 414 B7R1.2 CN1CCC(N)C1 X9823 [0,1,0,1,0,0|1,0,0]=3 415 B7R1.2 CN1CC[C@@H](N)C1 8951AH [0,1,0,1,0,0|1,0,0]=3 416 B7R1.2 CN1CC[C@H](N)C1 Y4288 [0,1,0,1,0,0|1,0,0]=3 417 B7R1.2 C[C@H]1CC[C@H](C)N1 8587AH [0,1,0,1,0,0|2,0,0]=4 418 B7R1.2 NC1CNC(=O)C1 4028AC [0,1,0,1,0,0|1,0,1]=4 419 B7R1.2 N[C@H]1CC[C@@H](O)C1 2029AA [0,1,0,1,0,0|1,0,0]=3 420 B7R1.2 O=C1CCC(I)C1 3588AC [0,1,0,1,0,0|2,0,0]=4 421 B7R1.3 BrC1CCCOC1 X9769 [0,1,0,1,0,0|2,0,0]=4 422 B7R1.3 CC1=CCCNC1 V9748 [0,1,0,1,0,0|0,0,1]=3 423 B7R1.3 CC1C=CCCC1 6090AL [0,1,0,1,0,0|1,0,1]=4 424 B7R1.3 CC1CCCCN1 7117AB [0,1,0,1,0,0|1,0,0]=3 425 B7R1.3 CC1CCOCO1 8171AJ [0,1,0,1,0,0|1,0,0]=3 426 B7R1.3 C[C@H]1CNCCO1 W8218 [0,1,0,1,0,0|0,0,0]=2 427 B7R1.3 FC1CCCCC1 1850AE [0,1,0,1,0,0|2,0,0]=4 428 B7R1.3 IC1CCNCC1 Z9919 [0,1,0,1,0,0|1,0,0]=3 429 B7R1.3 IC1CCOCC1 W4893 [0,1,0,1,0,0|2,0,0]=4 430 B7R1.3 NC1CC=CCC1 3966AJ [0,1,0,1,0,0|2,0,0]=4 431 B7R1.3 NC1CCCOC1 X9447 [0,1,0,1,0,0|2,0,0]=4 432 B7R1.3 N[C@H]1CCCNC1 Y4134 [0,1,0,1,0,0|1,0,0]=3 433 B7R1.4 BrC1CCCC1Br 3089AB [0,1,0,1,0,0|2,0,0]=4 434 B7R1.4 CC1CCCC1N 5365AE [0,1,0,1,0,0|1,0,0]=3 435 B7R1.4 CC1CCNC1=O Y8455 [0,1,0,1,0,0|0,0,1]=3 436 B7R1.4 C[C@@H]1CCC[C@@H]1O 3213AL [0,1,0,1,0,0|1,0,0]=3 437 B7R1.4 ClC1CCOC1Cl 5221AL [0,1,0,1,0,0|2,0,0]=4 438 B7R1.4 NC1CCNC1=O 0020AD [0,1,0,1,0,0|1,0,1]=4 439 B7R1.4 NC1COCC1O 5780AA [0,1,0,1,0,0|2,0,0]=4 440 B7R1.4 NC1CSCC1O 0027AD [0,1,0,1,0,0|2,0,0]=4 441 B7R1.4 N[C@@H]1CCNC1=O X9462 [0,1,0,1,0,0|1,0,1]=4 442 B7R1.4 N[C@@H]1COC[C@H]1O 8700AH [0,1,0,1,0,0|2,0,0]=4 443 B7R1.4 N[C@H]1COC[C@@H]1O 4688AJ [0,1,0,1,0,0|2,0,0]=4 444 B7R1.4 N[C@H]1COC[C@@H]1O 8683AH [0,1,0,1,0,0|2,0,0]=4 445 B7R1.4 O[C@H]1CCC[C@H]1O 0705AP [0,1,0,1,0,0|2,0,0]=4 446 B7R1.4 O[C@H]1CNC[C@@H]1O Z4539 [0,1,0,1,0,0|1,0,0]=3 447 B7R1.6 CNCC1CCC1 3149AD [0,1,0,1,0,0|2,0,0]=4 448 B7R1.6 ClCCN1CCC1 2792AA [0,1,0,1,0,0|2,0,0]=4 449 B7R1.6 OCCC1COC1 1983AB [0,1,0,1,0,0|1,0,0]=3 450 B7R1.6 OCCN1CCC1 0462AC [0,1,0,1,0,0|2,0,0]=4 451 B7R1.10 C=C1CC(CN)C1 3039AF [0,1,0,1,0,0|0,0,2]=4 452 B7R1.10 C=C1CC(CN)C1 5243AD [0,1,0,1,0,0|0,0,2]=4 453 B7R1.10 CCN1CC(N)C1 9834AH [0,1,0,1,0,0|1,0,0]=3 454 B7R1.10 CCN1CC(O)C1 2284AJ [0,1,0,1,0,0|2,0,0]=4 455 B7R1.10 CN1CC(CN)C1 8339AH [0,1,0,1,0,0|1,0,0]=3 456 B7R1.10 CNC1CN(C)C1 0173AE [0,1,0,1,0,0|1,0,0]=3 457 B7R1.10 NCC1CC(O)C1 3176AF [0,1,0,1,0,0|1,0,0]=3 458 B7R1.22 CCC(N)C1CC1 7479AD [0,1,0,1,0,0|1,0,0]=3 459 B7R1.22 COC(=O)C1CN1 6374AE [0,1,0,1,0,0|1,0,1]=4 460 B7R1.22 NC(CO)C1CC1 HTS033190 [0,1,0,1,0,0|1,0,0]=3 461 B7R1.25 CC1(CCl)COC1 2252AL [0,1,0,1,0,0|2,0,0]=4 462 B7R1.25 CC1(CO)CSC1 5905AE [0,1,0,1,0,0|2,0,0]=4 463 B7R1.25 NC1(CO)CCC1 9457AA [0,1,0,1,0,0|2,0,0]=4 464 B7R1.25 NCC1(O)CCC1 HTS033072 [0,1,0,1,0,0|2,0,0]=4 465 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 8055AC [0,1,0,1,0,0|1,0,1]=4 466 B7R1.16 NC1CC(F)(F)C1 W8480 [0,1,0,1,0,0|1,0,0]=3 467 B7R1.16 OC1CC(F)(F)C1 W7555 [0,1,0,1,0,0|2,0,0]=4 468 B7R1.20 CC(=O)CC1CC1 5730AB [0,1,0,1,0,0|1,0,1]=4 469 B7R1.20 CC(C)NC1CC1 V4644 [0,1,0,1,0,0|1,0,0]=3 470 B7R1.20 NC(=S)NC1CC1 V6652 [0,1,0,1,0,0|1,0,1]=4 471 B7R1.20 NC(N)=NC1CC1 5423AD [0,1,0,1,0,0|1,0,1]=4 472 B7R1.32 CC1(C)CC1(C)C 4327AL [0,1,0,1,0,0|1,0,0]=3 473 B7R1.32 CC1(N)CC1(F)F 3481AD [0,1,0,1,0,0|2,0,0]=4 474 B7R1.23 FC1(F)CC1CBr 2166AC [0,1,0,1,0,0|2,0,0]=4 475 B7R1.23 OCC1CC1(Cl)Cl Y9378 [0,1,0,1,0,0|2,0,0]=4 476 B7R1.23 OCC1CC1(F)F X8433 [0,1,0,1,0,0|2,0,0]=4 477 B7R1.7 CCNCC1CC1 8749AD [0,1,0,1,0,0|1,0,0]=3 478 B7R1.7 CCOCC1CO1 7875AL [0,1,0,1,0,0|2,0,0]=4 479 B7R1.7 ClCCOC1CC1 Y8014 [0,1,0,1,0,0|1,0,0]=3 480 B7R1.7 OCCNC1CC1 V5433 [0,1,0,1,0,0|1,0,0]=3 481 B7R1.14 CC1(C)CCNC1 2404AC [0,1,0,1,0,0|0,0,0]=2 482 B7R1.14 CC1(C)COC=N1 6315AL [0,1,0,1,0,0|0,0,2]=4 483 B7R2.13 C1CC2CC2N1 1555AJ [0,0,0,2,0,0|0,0,0]=2 484 B7R2.13 C1NCC2CC12 2805AB [0,0,0,2,0,0|0,0,0]=2