0 B5R0.1 C#CCC(C)O 6664AL [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 C=C(C)CON 4430AJ [0,0,0,0,0,0|1,0,2]=3 2 B5R0.1 C=CCC(=C)C 5694AL [0,0,0,0,0,0|1,0,3]=4 3 B5R0.1 C=CCC(C)C 6595AL [0,0,0,0,0,0|1,0,1]=2 4 B5R0.1 C=CCC(C)O 7318AF [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 C=COC(C)C 3476AL [0,0,0,0,0,0|2,0,1]=3 6 B5R0.1 CC#CC(C)C 6601AL [0,0,0,0,0,0|1,0,2]=3 7 B5R0.1 CC(Br)CC#N 6005AL [0,0,0,0,0,0|1,0,2]=3 8 B5R0.1 CC(C)=CCCl 7671AJ [0,0,0,0,0,0|1,0,2]=3 9 B5R0.1 CC(C)CCCl 7326AF [0,0,0,0,0,0|1,0,0]=1 10 B5R0.1 CC(O)CON 3604AB [0,0,0,0,0,0|2,0,0]=2 11 B5R0.1 CCC=C(C)C 7499AF [0,0,0,0,0,0|1,0,2]=3 12 B5R0.1 CCOC(C)C 7879AL [0,0,0,0,0,0|2,0,0]=2 13 B5R0.1 CCSC(C)C 7880AL [0,0,0,0,0,0|2,0,0]=2 14 B5R0.1 CNCC(C)=O 4565AF [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 CNCC(C)C 8603AL [0,0,0,0,0,0|2,0,0]=2 16 B5R0.1 COC[C@H](C)O W4988 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.1 C[C@H](N)CCO 3502AC [0,0,0,0,0,0|2,0,0]=2 18 B5R0.1 C\C(Cl)=C\CN 9653AD [0,0,0,0,0,0|1,0,2]=3 19 B5R0.1 C\C(Cl)=C\CO X6578 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.1 C\C=C\C(C)C 7501AF [0,0,0,0,0,0|1,0,2]=3 21 B5R0.1 NC(=O)CCO 8063AJ [0,0,0,0,0,0|3,0,1]=4 22 B5R0.1 O=C(O)CCF 6350AB [0,0,0,0,0,0|3,0,1]=4 23 B4R0.1 BrCC(Br)Br X2956 [1,0,0,0,0,0|3,0,0]=4 24 B4R0.1 C#CC(C)Cl 6017AL [1,0,0,0,0,0|1,0,2]=4 25 B4R0.1 C=C=C(C)C 6086AL [1,0,0,0,0,0|0,0,3]=4 26 B4R0.1 C=CC(C)C 7308AF [1,0,0,0,0,0|0,0,2]=3 27 B4R0.1 C=NN(C)C 7943AL [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 CC(N)C#N V7482 [1,0,0,0,0,0|1,0,2]=4 29 B4R0.1 CC(S)CS 4476AL [1,0,0,0,0,0|2,0,0]=3 30 B4R0.1 CCC(=O)Br C859 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 CC[SiH](Cl)Cl 7902AL [1,0,0,0,0,0|2,1,0]=4 32 B4R0.1 CSC(C)=O 9061AJ [1,0,0,0,0,0|2,0,1]=4 33 B4R0.1 CSC(C)C 8107AL [1,0,0,0,0,0|1,0,0]=2 34 B4R0.1 CS[S+](C)C 7703AL [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 C\C=C(/C)Cl 5560AL [1,0,0,0,0,0|1,0,2]=4 36 B4R0.1 C\C=C(\C)Cl 4247AL [1,0,0,0,0,0|1,0,2]=4 37 B4R0.1 FC(Cl)CCl 3256AE [1,0,0,0,0,0|3,0,0]=4 38 B4R0.1 NCC(=O)O 7986AL [1,0,0,0,0,0|2,0,1]=4 39 B4R0.1 NCC(=O)[O-] P522 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.2 C#CCON 4433AJ [1,0,0,0,0,0|1,0,2]=4 41 B4R0.2 CCC=NO 0148AQ [1,0,0,0,0,0|2,0,1]=4 42 B4R0.2 CCCCF 8004AD [1,0,0,0,0,0|1,0,0]=2 43 B4R0.2 CCCNN 4415AE [1,0,0,0,0,0|1,0,0]=2 44 B4R0.2 CCCOC 4896AL [1,0,0,0,0,0|2,0,0]=3 45 B4R0.2 CCCON 6597AE [1,0,0,0,0,0|1,0,0]=2 46 B4R0.2 CCCSC U677 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.2 CCSCC E138 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.2 CNCC#N 8258AL [1,0,0,0,0,0|1,0,2]=4 49 B4R0.2 CSCCBr Y1764 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.2 C\C=C/CC 7428AL [1,0,0,0,0,0|1,0,2]=4 51 B4R0.2 N#CCCS 0102AP [1,0,0,0,0,0|1,0,2]=4 52 B4R0.2 NCCON 6473AB [1,0,0,0,0,0|2,0,0]=3 53 B4R0.2 NCCON 7871AA [1,0,0,0,0,0|2,0,0]=3 54 B6R0.1 C#CC(O)CCC X7102 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.1 C#CCC(O)CC 6781AL [0,1,0,0,0,0|2,0,1]=4 56 B6R0.1 C=CC(C)CCC 6092AL [0,1,0,0,0,0|1,0,1]=3 57 B6R0.1 CCC(O)CNN 2943AE [0,1,0,0,0,0|2,0,0]=3 58 B6R0.1 CCCC(=O)SC 8847AJ [0,1,0,0,0,0|2,0,1]=4 59 B6R0.1 CCCC(Br)CC 3975AB [0,1,0,0,0,0|2,0,0]=3 60 B6R0.1 CCCC(C)CC 7810AF [0,1,0,0,0,0|1,0,0]=2 61 B6R0.1 CCCC(C)CO 1207AA [0,1,0,0,0,0|1,0,0]=2 62 B6R0.1 CCCC(O)CC 7557AF [0,1,0,0,0,0|2,0,0]=3 63 B6R0.1 CCC[C@@H](N)CO 2554AC [0,1,0,0,0,0|2,0,0]=3 64 B6R0.1 CCNC(C)CC 7145AD [0,1,0,0,0,0|2,0,0]=3 65 B6R0.1 CCNC(C)CO 8218AD [0,1,0,0,0,0|2,0,0]=3 66 B6R0.1 CCOC(C)CC 8956AL [0,1,0,0,0,0|2,0,0]=3 67 B6R0.1 CCOC(C)CN 0082AD [0,1,0,0,0,0|2,0,0]=3 68 B6R0.1 CC[C@H](C)CCO 4202AL [0,1,0,0,0,0|1,0,0]=2 69 B6R0.1 CNC(=O)CCCl 2983AE [0,1,0,0,0,0|2,0,1]=4 70 B6R0.1 CNC(=O)CCO 8079AE [0,1,0,0,0,0|2,0,1]=4 71 B6R0.1 CNC(C)CCO 8891AD [0,1,0,0,0,0|1,0,0]=2 72 B6R0.1 CNCC(C)OC 1691AF [0,1,0,0,0,0|2,0,0]=3 73 B6R0.1 COC(=O)CCN 5700AB [0,1,0,0,0,0|1,0,1]=3 74 B6R0.1 OCC[C@@H](O)CO W7968 [0,1,0,0,0,0|2,0,0]=3 75 B6R0.1 O[C@H](CBr)CCBr 9809AB [0,1,0,0,0,0|2,0,0]=3 76 B6R0.2 CC(C)CC(C)Br 3157AB [0,1,0,0,0,0|1,0,0]=2 77 B6R0.2 CC(C)CC(C)C 7809AF [0,1,0,0,0,0|1,0,0]=2 78 B6R0.2 CC(O)C[N+](=O)[O-] 0004AE [0,1,0,0,0,0|3,0,0]=4 79 B6R0.2 CN(C)CC(=O)[O-] 9593AA [0,1,0,0,0,0|2,0,1]=4 80 B6R0.2 CN(C)NC(N)=O 4373AL [0,1,0,0,0,0|2,0,1]=4 81 B6R0.2 C[C@H](Br)CC(=O)O V0016 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.3 CC(=O)C(N)CO 6844AC [0,1,0,0,0,0|2,0,1]=4 83 B6R0.3 CC(C#N)N(C)C 5120AE [0,1,0,0,0,0|1,0,2]=4 84 B6R0.3 CC(C)C(O)C#N 4772AD [0,1,0,0,0,0|0,0,2]=3 85 B6R0.3 CC(C)[C@H](N)CO 8725AA [0,1,0,0,0,0|1,0,0]=2 86 B6R0.3 CCC(=O)C(C)Br 5539AL [0,1,0,0,0,0|2,0,1]=4 87 B6R0.3 CCC(=O)C(C)S 5675AL [0,1,0,0,0,0|2,0,1]=4 88 B6R0.3 CCC(C)C(C)=O U423 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.3 CCC(C)C(C)C 5239AL [0,1,0,0,0,0|1,0,0]=2 90 B6R0.3 CCC(S)C(C)=O 9471AJ [0,1,0,0,0,0|2,0,1]=4 91 B6R0.3 CN(C)C(=O)CN W4015 [0,1,0,0,0,0|1,0,1]=3 92 B6R0.3 C[C@@H](CN)C(=O)O 5862AB [0,1,0,0,0,0|2,0,1]=4 93 B6R0.3 NC[C@H](N)C(=O)O 0179AB [0,1,0,0,0,0|2,0,1]=4 94 B6R0.4 C=C(C)CCCC 5699AL [0,1,0,0,0,0|1,0,2]=4 95 B6R0.4 C=CCCC(=C)C 5696AL [0,1,0,0,0,0|1,0,2]=4 96 B6R0.4 C=CCCC(C)C 6791AL [0,1,0,0,0,0|1,0,0]=2 97 B6R0.4 CC(=O)CCCBr W5938 [0,1,0,0,0,0|2,0,1]=4 98 B6R0.4 CC(=O)NCCCl W8163 [0,1,0,0,0,0|2,0,1]=4 99 B6R0.4 CC(=O)OCCCl 7237AF [0,1,0,0,0,0|2,0,1]=4 100 B6R0.4 CC(=O)SCCN 5884AD [0,1,0,0,0,0|1,0,1]=3 101 B6R0.4 CC(C)CCCCl 6814AE [0,1,0,0,0,0|1,0,0]=2 102 B6R0.4 CC(C)NCC#N Y7768 [0,1,0,0,0,0|0,0,2]=3 103 B6R0.4 CC(C)NCCCl 9576AB [0,1,0,0,0,0|1,0,0]=2 104 B6R0.4 CC(C)SCCCl 3252AE [0,1,0,0,0,0|1,0,0]=2 105 B6R0.4 CCCC=C(C)C 5704AL [0,1,0,0,0,0|1,0,1]=3 106 B6R0.4 CCCCC(C)Br 5535AL [0,1,0,0,0,0|2,0,0]=3 107 B6R0.4 CCCCC(C)C 5734AL [0,1,0,0,0,0|1,0,0]=2 108 B6R0.4 CCCCC(C)Cl 5578AL [0,1,0,0,0,0|2,0,0]=3 109 B6R0.4 CCCCC(C)N 7573AF [0,1,0,0,0,0|2,0,0]=3 110 B6R0.4 CCCCC(C)O 9467AB [0,1,0,0,0,0|2,0,0]=3 111 B6R0.4 CCOCC(C)N 0535AD [0,1,0,0,0,0|2,0,0]=3 112 B6R0.4 C\C=C\CC(C)C 6798AL [0,1,0,0,0,0|1,0,1]=3 113 B6R0.5 C=CCC(C)(C)C 6312AL [0,1,0,0,0,0|1,0,1]=3 114 B6R0.5 C=COC(C)(C)C 9102AJ [0,1,0,0,0,0|2,0,1]=4 115 B6R0.5 CC(C)(C)CC#N X4017 [0,1,0,0,0,0|0,0,2]=3 116 B6R0.5 CC(C)(C)NC#N 7313AF [0,1,0,0,0,0|1,0,2]=4 117 B6R0.5 CC(C)(O)CCCl 0206AB [0,1,0,0,0,0|1,0,0]=2 118 B6R0.5 CNCC(C)(C)C 0063AE [0,1,0,0,0,0|2,0,0]=3 119 B6R0.5 COCC(C)(C)N Y8196 [0,1,0,0,0,0|2,0,0]=3 120 B6R0.5 CS(=O)(=O)CCBr 5490AJ [0,1,0,0,0,0|3,0,0]=4 121 B6R0.5 C[N+](C)(C)CCO 2907AC [0,1,0,0,0,0|2,0,0]=3 122 B6R0.5 ClCCC(Cl)(Cl)Cl 9273AJ [0,1,0,0,0,0|3,0,0]=4 123 B6R1.2 CC1=CCCC1 9313AJ [0,0,0,1,0,0|1,0,2]=4 124 B6R1.2 CC1=NNCC1 6440AD [0,0,0,1,0,0|1,0,1]=3 125 B6R1.2 CC1CCCN1 0591AQ [0,0,0,1,0,0|2,0,0]=3 126 B6R1.2 CC1CCCS1 7972AJ [0,0,0,1,0,0|2,0,0]=3 127 B6R1.2 CC1CCNC1 X9461 [0,0,0,1,0,0|0,0,0]=1 128 B6R1.2 CC1CCOC1 6124AL [0,0,0,1,0,0|1,0,0]=2 129 B6R1.2 CC1COCO1 6593AL [0,0,0,1,0,0|2,0,0]=3 130 B6R1.2 CC1OCCO1 7260AF [0,0,0,1,0,0|3,0,0]=4 131 B6R1.2 C[C@@H]1CCCN1 V2030 [0,0,0,1,0,0|2,0,0]=3 132 B6R1.2 FC1CCCC1 7941AL [0,0,0,1,0,0|2,0,0]=3 133 B6R1.2 FC1CCNC1 W3697 [0,0,0,1,0,0|1,0,0]=2 134 B6R1.2 FC1CCNC1 X9172 [0,0,0,1,0,0|1,0,0]=2 135 B6R1.2 F[C@H]1CCNC1 9169AH [0,0,0,1,0,0|1,0,0]=2 136 B6R1.2 NC1CCOC1 W9158 [0,0,0,1,0,0|2,0,0]=3 137 B6R1.2 NN1CCCC1 8436AA [0,0,0,1,0,0|3,0,0]=4 138 B6R1.2 N[C@H]1CCNC1 N118 [0,0,0,1,0,0|1,0,0]=2 139 B6R1.2 N[C@H]1CCOC1 W4304 [0,0,0,1,0,0|2,0,0]=3 140 B6R1.2 OC1CNOC1 0177AF [0,0,0,1,0,0|2,0,0]=3 141 B6R1.2 O[C@H]1CCSC1 Y1948 [0,0,0,1,0,0|2,0,0]=3 142 B6R1.3 BrCCC1CC1 8486AH [0,0,0,1,0,0|1,0,0]=2 143 B6R1.3 CCCC1CO1 4468AL [0,0,0,1,0,0|2,0,0]=3 144 B6R1.3 CCNC1CC1 2347AB [0,0,0,1,0,0|2,0,0]=3 145 B6R1.3 CCNC1CC1 3977AJ [0,0,0,1,0,0|2,0,0]=3 146 B6R1.3 COC[C@@H]1CO1 9238AJ [0,0,0,1,0,0|3,0,0]=4 147 B6R1.3 COC[C@H]1CO1 9221AJ [0,0,0,1,0,0|3,0,0]=4 148 B6R1.3 CONC1CC1 Z3770 [0,0,0,1,0,0|3,0,0]=4 149 B6R1.3 ICCC1CC1 8514AH [0,0,0,1,0,0|1,0,0]=2 150 B6R1.3 NNCC1CC1 4780AJ [0,0,0,1,0,0|1,0,0]=2 151 B6R1.3 O=C=NC1CC1 X4805 [0,0,0,1,0,0|2,0,1]=4 152 B6R1.5 CN1CC(N)C1 6718AC [0,0,0,1,0,0|1,0,0]=2 153 B6R1.5 CN1CC(O)C1 8767AC [0,0,0,1,0,0|2,0,0]=3 154 B6R1.5 NC1CC(O)C1 3558AA [0,0,0,1,0,0|1,0,0]=2 155 B6R1.5 NC1CC(O)C1 Z3827 [0,0,0,1,0,0|1,0,0]=2 156 B6R1.11 CC(=O)C1CO1 3696AE [0,0,0,1,0,0|2,0,1]=4 157 B6R1.11 O=C(O)C1CN1 7766AB [0,0,0,1,0,0|2,0,1]=4 158 B3R0.1 CCCF 3973AE [2,0,0,0,0,0|1,0,0]=3 159 B3R0.1 NCCN 6791AA [2,0,0,0,0,0|1,0,0]=3 160 B3R0.1 NCCN 6876AF [2,0,0,0,0,0|1,0,0]=3 161 B3R0.1 NCCN 9393AJ [2,0,0,0,0,0|1,0,0]=3 162 B3R0.1 NCCN E395 [2,0,0,0,0,0|1,0,0]=3 163 B3R0.2 CN(C)N 3031AH [2,0,0,0,0,0|1,0,0]=3 164 B3R0.2 C[PH](C)=O 3279AL [2,0,0,0,0,0|2,0,0]=4 165 B3R0.2 C[S+](C)C 9165AJ [2,0,0,0,0,0|1,0,0]=3 166 B3R0.2 C[Sn](C)=O 6872AF [2,0,0,0,0,0|2,0,0]=4 167 B5R0.3 CC(CN)CN 1710AB [1,1,0,0,0,0|0,0,0]=2 168 B5R0.3 CC(CN)CO 0163AC [1,1,0,0,0,0|0,0,0]=2 169 B5R0.3 CCC(=O)CN X8894 [1,1,0,0,0,0|1,0,1]=4 170 B5R0.3 CCC(=O)CO X5132 [1,1,0,0,0,0|1,0,1]=4 171 B5R0.3 CCC(=S)OC R571 [1,1,0,0,0,0|1,0,1]=4 172 B5R0.3 CCC(C)CCl U282 [1,1,0,0,0,0|0,0,0]=2 173 B5R0.3 CCC(C)NN 9798AD [1,1,0,0,0,0|1,0,0]=3 174 B5R0.3 CCC(Cl)CCl 4449AL [1,1,0,0,0,0|1,0,0]=3 175 B5R0.3 CCC(O)C#N 7246AF [1,1,0,0,0,0|1,0,1]=4 176 B5R0.3 CCC(O)CBr 4766AL [1,1,0,0,0,0|1,0,0]=3 177 B5R0.3 CCC(S)CS 4441AL [1,1,0,0,0,0|1,0,0]=3 178 B5R0.3 CC[C@H](C)CCl 4194AL [1,1,0,0,0,0|0,0,0]=2 179 B5R0.3 CNC(=O)CN X2965 [1,1,0,0,0,0|1,0,1]=4 180 B5R0.3 CNC(C)C#N V3698 [1,1,0,0,0,0|0,0,2]=4 181 B5R0.3 COC(C)C#N 0627AE [1,1,0,0,0,0|0,0,2]=4 182 B5R0.3 CO[SiH](C)OC I516 [1,1,0,0,0,0|1,1,0]=4 183 B5R0.3 C\C=C(/C)CC 0241AQ [1,1,0,0,0,0|0,0,1]=3 184 B5R0.3 C\C=C(/C)CC 9220AL [1,1,0,0,0,0|0,0,1]=3 185 B5R0.3 C\C=C(\C)CC 7440AL [1,1,0,0,0,0|0,0,1]=3 186 B5R0.3 FCC(Br)CBr 3889AE [1,1,0,0,0,0|2,0,0]=4 187 B5R0.4 CC(C)(I)C#N 5659AL [1,1,0,0,0,0|0,0,2]=4 188 B5R0.4 CCC(C)(Cl)Cl 5119AL [1,1,0,0,0,0|1,0,0]=3 189 B5R0.4 CS[Si](C)(C)C V3240 [1,1,0,0,0,0|1,1,0]=4 190 B5R0.4 C[Si](C)(C)ON 1405AB [1,1,0,0,0,0|1,1,0]=4 191 B5R0.5 C=C(C)C(C)C 5230AL [1,1,0,0,0,0|0,0,1]=3 192 B5R0.5 CC(=O)C(C)F 0085AF [1,1,0,0,0,0|1,0,1]=4 193 B5R0.5 CC(=S)N(C)C 3685AL [1,1,0,0,0,0|1,0,1]=4 194 B5R0.5 CC(Cl)C(Cl)Cl 7030AF [1,1,0,0,0,0|2,0,0]=4 195 B5R0.5 CC(N)C(C)O 7117AF [1,1,0,0,0,0|1,0,0]=3 196 B5R0.5 CC(O)C(=N)N 2094AL [1,1,0,0,0,0|1,0,1]=4 197 B5R0.5 CN(C)C(=N)N 3681AL [1,1,0,0,0,0|1,0,1]=4 198 B5R0.5 CN(C)C(N)=S 8335AE [1,1,0,0,0,0|1,0,1]=4 199 B5R0.5 C[C@H](N)C(N)=O 7048AH [1,1,0,0,0,0|1,0,1]=4 200 B5R0.2 C#CCCCBr 9466AL [1,1,0,0,0,0|1,0,1]=4 201 B5R0.2 C#CCCCI 0230AQ [1,1,0,0,0,0|1,0,1]=4 202 B5R0.2 C=CCCCN 7616AH [1,1,0,0,0,0|0,0,1]=3 203 B5R0.2 C=CCOCC 5601AE [1,1,0,0,0,0|1,0,1]=4 204 B5R0.2 CC#CCCO 6150AL [1,1,0,0,0,0|1,0,1]=4 205 B5R0.2 CCCCOC 7303AL [1,1,0,0,0,0|1,0,0]=3 206 B5R0.2 CCCNCC 8554AL [1,1,0,0,0,0|1,0,0]=3 207 B5R0.2 CCCOCC 7892AL [1,1,0,0,0,0|1,0,0]=3 208 B5R0.2 CCCOCCl 4494AB [1,1,0,0,0,0|1,0,0]=3 209 B5R0.2 CCCSCC R576 [1,1,0,0,0,0|1,0,0]=3 210 B5R0.2 CCC\C=N\O 7272AF [1,1,0,0,0,0|0,0,2]=4 211 B5R0.2 CCOCCN 3903AD [1,1,0,0,0,0|0,0,0]=2 212 B5R0.2 CC[Se][Se]CC 7651AL [1,1,0,0,0,0|2,0,0]=4 213 B5R0.2 COCCCI 9890AH [1,1,0,0,0,0|1,0,0]=3 214 B5R0.2 CSCCC#N 5452AE [1,1,0,0,0,0|0,0,2]=4 215 B5R0.2 ClCCOCCl 7247AA [1,1,0,0,0,0|2,0,0]=4 216 B5R0.2 NC\C=C/CCl 3552AH [1,1,0,0,0,0|0,0,2]=4 217 B5R0.2 NC\C=C/CN Z2171 [1,1,0,0,0,0|0,0,2]=4 218 B5R0.2 [C-]#[N+]CCOC V5938 [1,1,0,0,0,0|1,0,1]=4 219 B7R0.2 C#CC(O)CC(C)C 6792AL [0,2,0,0,0,0|1,0,0]=3 220 B7R0.2 C=C(C)CC(C)CC 5312AL [0,2,0,0,0,0|1,0,1]=4 221 B7R0.2 CC(C)CC(N)C#N 5444AJ [0,2,0,0,0,0|0,0,0]=2 222 B7R0.2 CC(C)NC(=S)NN 3860AD [0,2,0,0,0,0|1,0,1]=4 223 B7R0.2 CC(CO)CN(C)C 0615AE [0,2,0,0,0,0|2,0,0]=4 224 B7R0.2 CC(O)CC(=O)NN 8247AD [0,2,0,0,0,0|1,0,1]=4 225 B7R0.2 CCC(C)CC(C)C 5322AL [0,2,0,0,0,0|1,0,0]=3 226 B7R0.2 CN(C)CC(=O)NN E002 [0,2,0,0,0,0|1,0,1]=4 227 B7R0.2 CN(C)CC(=O)NN W6825 [0,2,0,0,0,0|1,0,1]=4 228 B7R0.2 CN(C)CC(O)CCl 4719AE [0,2,0,0,0,0|2,0,0]=4 229 B7R0.2 CN(C)CC(O)CN V6256 [0,2,0,0,0,0|1,0,0]=3 230 B7R0.2 CN(C)C\C(N)=N\O 0290AC [0,2,0,0,0,0|1,0,1]=4 231 B7R0.2 COC(C)CC(=O)O 0132AA [0,2,0,0,0,0|1,0,1]=4 232 B7R0.3 CCC(=O)NCCN 3366AF [0,2,0,0,0,0|1,0,1]=4 233 B7R0.3 CCC(Cl)CCCCl 4475AE [0,2,0,0,0,0|2,0,0]=4 234 B7R0.3 CCCCC(C)CC 6251AE [0,2,0,0,0,0|1,0,0]=3 235 B7R0.3 CCCCC(O)CC 8762AB [0,2,0,0,0,0|2,0,0]=4 236 B7R0.3 CCCC[C@H](N)CO 7337AH [0,2,0,0,0,0|2,0,0]=4 237 B7R0.3 CCC\C=C(/C)CC 6104AL [0,2,0,0,0,0|1,0,1]=4 238 B7R0.3 CCN(C)CCC#N 5584AE [0,2,0,0,0,0|1,0,1]=4 239 B7R0.3 CCN(C)CCCO 4272AE [0,2,0,0,0,0|2,0,0]=4 240 B7R0.3 CCOCC(N)CC 8270AE [0,2,0,0,0,0|2,0,0]=4 241 B7R0.3 CCOCC(O)CN 1272AE [0,2,0,0,0,0|2,0,0]=4 242 B7R0.3 CC[C@H](C)CCCO 4203AL [0,2,0,0,0,0|1,0,0]=3 243 B7R0.3 CNC(=O)CCCN 5583AD [0,2,0,0,0,0|1,0,1]=4 244 B7R0.3 CNCCC(=O)NC 4515AE [0,2,0,0,0,0|1,0,1]=4 245 B7R0.3 CNCCC(=O)NC 5845AE [0,2,0,0,0,0|1,0,1]=4 246 B7R0.3 CNCCC(=O)OC 1857AB [0,2,0,0,0,0|1,0,1]=4 247 B7R0.3 CNCCC(=O)OC X3419 [0,2,0,0,0,0|1,0,1]=4 248 B7R0.3 COCO[C@@H](C)CO X7350 [0,2,0,0,0,0|2,0,0]=4 249 B7R0.3 CSCCC(N)CO 8517AA [0,2,0,0,0,0|2,0,0]=4 250 B7R0.5 CC(CCN)N(C)C 6615AE [0,2,0,0,0,0|0,0,0]=2 251 B7R0.5 CC(CCO)N(C)C 9228AD [0,2,0,0,0,0|1,0,0]=3 252 B7R0.5 CCCC(=O)C(C)C 5712AL [0,2,0,0,0,0|1,0,0]=3 253 B7R0.5 CCOC(=N)C(C)C 8345AC [0,2,0,0,0,0|1,0,1]=4 254 B7R0.5 CN(C)C(=O)CCCl 5555AD [0,2,0,0,0,0|2,0,0]=4 255 B7R0.5 CN(C)C(=O)CCN X4955 [0,2,0,0,0,0|1,0,0]=3 256 B7R0.5 CNCC(=O)N(C)C 6232AD [0,2,0,0,0,0|1,0,1]=4 257 B7R0.5 CNCC(=O)N(C)C V7158 [0,2,0,0,0,0|1,0,1]=4 258 B7R0.5 COCC(N)C(C)C 9904AH [0,2,0,0,0,0|1,0,0]=3 259 B7R0.5 NCCC(N)C(=O)O W7673 [0,2,0,0,0,0|1,0,1]=4 260 B7R0.5 NCC[C@@H](N)C(=O)O W5006 [0,2,0,0,0,0|1,0,1]=4 261 B7R0.5 NCC[C@H](N)C(=O)O 1360AC [0,2,0,0,0,0|1,0,1]=4 262 B7R0.7 CCCC(C)CCO 6091AL [0,2,0,0,0,0|1,0,0]=3 263 B7R0.7 CCCN(C)CCC 0883AE [0,2,0,0,0,0|2,0,0]=4 264 B7R0.7 CCC[C@H](N)CCO 0636AC [0,2,0,0,0,0|2,0,0]=4 265 B7R0.7 CCNC(=O)CCN 1836AD [0,2,0,0,0,0|1,0,1]=4 266 B7R0.10 C=CC(C)C(C)CC 5904AL [0,2,0,0,0,0|1,0,1]=4 267 B7R0.10 CCC(C)C(C)CC 5907AL [0,2,0,0,0,0|1,0,0]=3 268 B7R0.10 COC(=O)C(O)CN 7006AJ [0,2,0,0,0,0|1,0,1]=4 269 B7R0.10 COC(C)C(=O)NN 2016AF [0,2,0,0,0,0|1,0,1]=4 270 B7R0.10 OC(CCl)C(O)CCl 7787AL [0,2,0,0,0,0|2,0,0]=4 271 B7R0.10 OC[C@H](O)[C@@H](O)CO 8162AL [0,2,0,0,0,0|2,0,0]=4 272 B7R0.10 O[C@H](CS)[C@@H](O)CS 3591AH [0,2,0,0,0,0|2,0,0]=4 273 B7R0.11 CCOC(C)(C)CC 9029AL [0,2,0,0,0,0|2,0,0]=4 274 B7R0.11 CCS(=O)(=O)CCN 5582AD [0,2,0,0,0,0|2,0,0]=4 275 B7R0.11 COC(C)(C)CCN 3408AD [0,2,0,0,0,0|0,0,0]=2 276 B7R0.11 COCC(C)(C)CN 9457AE [0,2,0,0,0,0|2,0,0]=4 277 B7R0.11 COCC(C)(C)CO Y5474 [0,2,0,0,0,0|2,0,0]=4 278 B7R0.12 CCNC(CC)CC 2358AE [0,2,0,0,0,0|2,0,0]=4 279 B7R0.12 CCN[C@@H](CC)CO 2889AC [0,2,0,0,0,0|2,0,0]=4 280 B7R0.12 COC(CC#N)OC 8500AB [0,2,0,0,0,0|0,0,2]=4 281 B7R0.12 COC(CCCl)OC 6016AL [0,2,0,0,0,0|1,0,0]=3 282 B7R0.9 CC(=O)CC(C)(C)N 7542AF [0,2,0,0,0,0|1,0,1]=4 283 B7R0.9 CC(C)(N)CC(=O)O W7151 [0,2,0,0,0,0|1,0,1]=4 284 B7R0.9 CC(C)C[Si](Cl)(Cl)Cl 8724AJ [0,2,0,0,0,0|1,1,0]=4 285 B7R0.9 CC(O)CC(F)(F)F Z6338 [0,2,0,0,0,0|2,0,0]=4 286 B7R0.16 CC(C)C(C)C(C)C 7982AF [0,2,0,0,0,0|1,0,0]=3 287 B7R0.16 CC(C)C(F)C(=O)O W3426 [0,2,0,0,0,0|1,0,1]=4 288 B7R0.13 CN(C)C(C)(C)CN V7691 [0,2,0,0,0,0|1,0,0]=3 289 B7R0.14 CC(C)(C)C(=O)CN 2819AC [0,2,0,0,0,0|0,0,1]=3 290 B7R0.14 CC(C)(C)[C@H](N)CO X9000 [0,2,0,0,0,0|1,0,0]=3 291 B7R0.14 CNC(C)C(C)(C)C 2628AF [0,2,0,0,0,0|2,0,0]=4 292 B7R0.14 NCC(O)C(F)(F)F 4954AB [0,2,0,0,0,0|2,0,0]=4 293 B7R0.4 C#CCNCC(C)C 7082AC [0,2,0,0,0,0|1,0,0]=3 294 B7R0.4 CC(=O)NCCCN V5818 [0,2,0,0,0,0|1,0,1]=4 295 B7R0.4 CC(=O)NCCCN V6432 [0,2,0,0,0,0|1,0,1]=4 296 B7R0.4 CC(C)=C=CCCO 0509AQ [0,2,0,0,0,0|1,0,1]=4 297 B7R0.4 CC(C)CCCCO 6988AE [0,2,0,0,0,0|1,0,0]=3 298 B7R0.4 CC(C)CCN=C=O 5158AD [0,2,0,0,0,0|0,0,1]=3 299 B7R0.4 CC(C)COCCN 0042AD [0,2,0,0,0,0|0,0,0]=2 300 B7R0.4 CC(C)CSCCO 5051AL [0,2,0,0,0,0|1,0,0]=3 301 B7R0.4 CC(C)NCCC#N 8236AE [0,2,0,0,0,0|0,0,1]=3 302 B7R0.4 CC(C)OCCC#N X5661 [0,2,0,0,0,0|0,0,1]=3 303 B7R0.4 CC(C)OCCCCl U192 [0,2,0,0,0,0|1,0,0]=3 304 B7R0.4 CC(C)OCCCO 9315AD [0,2,0,0,0,0|1,0,0]=3 305 B7R0.4 CC(O)CNCCO 7542AE [0,2,0,0,0,0|2,0,0]=4 306 B7R0.4 CCCCCC(C)C 5733AL [0,2,0,0,0,0|1,0,0]=3 307 B7R0.4 CCCCCC(C)Cl 5577AL [0,2,0,0,0,0|2,0,0]=4 308 B7R0.4 CCCCNC(C)C 2334AE [0,2,0,0,0,0|1,0,0]=3 309 B7R0.4 CN(C)CCCCN 1354AE [0,2,0,0,0,0|1,0,0]=3 310 B7R0.4 COCCNC(C)C 8018AC [0,2,0,0,0,0|1,0,0]=3 311 B7R0.6 C=C(C)CCC(C)C 5371AL [0,2,0,0,0,0|1,0,0]=3 312 B7R0.6 CC(=O)CCN(C)C 8474AD [0,2,0,0,0,0|1,0,1]=4 313 B7R0.6 CC(C)CCC(C)C 5381AL [0,2,0,0,0,0|1,0,0]=3 314 B7R0.6 CC(C)CNC(C)C 2335AE [0,2,0,0,0,0|1,0,0]=3 315 B7R0.6 CN(C)CCN(C)C 3249AL [0,2,0,0,0,0|1,0,0]=3 316 B7R0.6 C[C@H](O)CC[C@H](C)O 4119AB [0,2,0,0,0,0|2,0,0]=4 317 B7R0.8 CC(C)(C)C#CCN 6027AJ [0,2,0,0,0,0|0,0,1]=3 318 B7R0.8 CC(C)(C)CCC#N X3674 [0,2,0,0,0,0|0,0,1]=3 319 B7R0.8 CC(C)(C)SCCN 7714AD [0,2,0,0,0,0|0,0,0]=2 320 B7R0.8 CC(C)(O)CCCN 6321AJ [0,2,0,0,0,0|0,0,0]=2 321 B7R0.8 CCCCC(C)(C)C 5136AL [0,2,0,0,0,0|1,0,0]=3 322 B7R0.8 CCCC[Si](C)(C)Cl 8911AJ [0,2,0,0,0,0|1,1,0]=4 323 B7R0.8 CCNCC(C)(C)O 9524AH [0,2,0,0,0,0|1,0,0]=3 324 B7R0.8 CNCCC(C)(C)C 9066AC [0,2,0,0,0,0|0,0,0]=2 325 B7R0.8 CS(=O)(=O)NCCN V7900 [0,2,0,0,0,0|2,0,0]=4 326 B7R0.8 C[Si](C)(C)CCCCl 0153AQ [0,2,0,0,0,0|1,1,0]=4 327 B5R1.2 C=C1CCC1 3599AL [1,0,0,1,0,0|0,0,2]=4 328 B5R1.2 IC1CNC1 2304AJ [1,0,0,1,0,0|1,0,0]=3 329 B5R1.2 NC1CSC1 V9418 [1,0,0,1,0,0|2,0,0]=4 330 B5R1.2 OC1CSC1 Z6583 [1,0,0,1,0,0|2,0,0]=4 331 B5R1.3 CNC1CC1 X4771 [1,0,0,1,0,0|1,0,0]=3 332 B5R1.3 FCC1CO1 1377AQ [1,0,0,1,0,0|2,0,0]=4 333 B5R1.3 OCC1CO1 Y6562 [1,0,0,1,0,0|2,0,0]=4 334 B5R1.3 [C-]#[N+]C1CC1 6101AE [1,0,0,1,0,0|1,0,1]=4 335 B5R1.4 N[C@@H]1C[C@H]1N 3501AB [1,0,0,1,0,0|1,0,0]=3 336 B5R1.5 CC1(C)CN1 8787AD [1,0,0,1,0,0|0,0,0]=2 337 B5R1.5 CC1(C)CS1 8089AL [1,0,0,1,0,0|1,0,0]=3 338 B5R1.1 C1=NNCC1 5793AL [1,0,0,1,0,0|1,0,1]=4 339 B5R1.1 C1CNNC1 Z5309 [1,0,0,1,0,0|1,0,0]=3 340 B5R1.1 C1CNOC1 2460AE [1,0,0,1,0,0|1,0,0]=3 341 B5R1.1 C1CSCS1 0673AQ [1,0,0,1,0,0|2,0,0]=4 342 B7R1.1 BrCC1CCCN1 6324AA [0,1,0,1,0,0|2,0,0]=4 343 B7R1.1 BrCC1CCOC1 8390AA [0,1,0,1,0,0|1,0,0]=3 344 B7R1.1 C=CC1CCCC1 9406AL [0,1,0,1,0,0|1,0,1]=4 345 B7R1.1 CCC1CCCC1 7901AL [0,1,0,1,0,0|1,0,0]=3 346 B7R1.1 CCC1CCCN1 7143AC [0,1,0,1,0,0|2,0,0]=4 347 B7R1.1 CCC1CCNC1 9496AE [0,1,0,1,0,0|0,0,0]=2 348 B7R1.1 CCN1CCCC1 8555AL [0,1,0,1,0,0|2,0,0]=4 349 B7R1.1 CNC1CCNC1 2827AC [0,1,0,1,0,0|0,0,0]=2 350 B7R1.1 CNC1CCOC1 Z5570 [0,1,0,1,0,0|1,0,0]=3 351 B7R1.1 CN[C@@H]1CCNC1 X6025 [0,1,0,1,0,0|0,0,0]=2 352 B7R1.1 CN[C@@H]1CCOC1 2045AJ [0,1,0,1,0,0|1,0,0]=3 353 B7R1.1 CN[C@@H]1CCOC1 9048AH [0,1,0,1,0,0|1,0,0]=3 354 B7R1.1 ClC[C@@H]1CCCN1 9398AA [0,1,0,1,0,0|2,0,0]=4 355 B7R1.1 FC[C@@H]1CCCN1 1290AF [0,1,0,1,0,0|2,0,0]=4 356 B7R1.1 N#CC1CCNC1 Y6938 [0,1,0,1,0,0|0,0,1]=3 357 B7R1.1 N#CC1CCOC1 X2033 [0,1,0,1,0,0|1,0,1]=4 358 B7R1.1 NCC1CCCC1 3974AJ [0,1,0,1,0,0|1,0,0]=3 359 B7R1.1 NCC1CCCC1 3975AJ [0,1,0,1,0,0|1,0,0]=3 360 B7R1.1 NCC1CCNC1 0361AC [0,1,0,1,0,0|0,0,0]=2 361 B7R1.1 NC[C@@H]1CCCN1 O008 [0,1,0,1,0,0|2,0,0]=4 362 B7R1.1 NC[C@H]1CCCN1 1217AC [0,1,0,1,0,0|2,0,0]=4 363 B7R1.1 NNC1CCCC1 9797AD [0,1,0,1,0,0|2,0,0]=4 364 B7R1.1 NNC1CCOC1 4448AJ [0,1,0,1,0,0|2,0,0]=4 365 B7R1.1 OCC1CCNC1 W6601 [0,1,0,1,0,0|0,0,0]=2 366 B7R1.1 [C-]#[N+]C1CCCC1 7534AL [0,1,0,1,0,0|1,0,1]=4 367 B7R1.2 CC1CCC(C)O1 Z5431 [0,1,0,1,0,0|2,0,0]=4 368 B7R1.2 CC1CNC(=O)C1 X7991 [0,1,0,1,0,0|0,0,1]=3 369 B7R1.2 CC1CNC(=O)O1 8398AC [0,1,0,1,0,0|1,0,1]=4 370 B7R1.2 CC1CNC(=S)N1 7200AD [0,1,0,1,0,0|1,0,1]=4 371 B7R1.2 CN1CCC(Br)C1 1332AA [0,1,0,1,0,0|1,0,0]=3 372 B7R1.2 CN1CC[C@H](N)C1 Y4288 [0,1,0,1,0,0|1,0,0]=3 373 B7R1.2 C[C@H]1C[C@H](O)CN1 1991AA [0,1,0,1,0,0|1,0,0]=3 374 B7R1.2 NC1CCC(O)C1 6561AA [0,1,0,1,0,0|1,0,0]=3 375 B7R1.2 NC1CNC(=O)C1 9509AL [0,1,0,1,0,0|1,0,1]=4 376 B7R1.2 N[C@H]1CC[C@@H](O)C1 5418AA [0,1,0,1,0,0|1,0,0]=3 377 B7R1.2 O=C1CCC(I)C1 3588AC [0,1,0,1,0,0|2,0,0]=4 378 B7R1.3 CC1C=CCCC1 6090AL [0,1,0,1,0,0|1,0,1]=4 379 B7R1.3 CC1CCCCN1 7117AB [0,1,0,1,0,0|1,0,0]=3 380 B7R1.3 CC1CCOCO1 8171AJ [0,1,0,1,0,0|1,0,0]=3 381 B7R1.3 CC1CNCCO1 8808AB [0,1,0,1,0,0|0,0,0]=2 382 B7R1.3 C[C@@H]1CCCNC1 Z4441 [0,1,0,1,0,0|0,0,0]=2 383 B7R1.3 FC1CCCCC1 1850AE [0,1,0,1,0,0|2,0,0]=4 384 B7R1.3 FC1CCCNC1 0816AQ [0,1,0,1,0,0|1,0,0]=3 385 B7R1.3 IC1CCNCC1 Z9919 [0,1,0,1,0,0|1,0,0]=3 386 B7R1.3 NC1CC=CCC1 3966AJ [0,1,0,1,0,0|2,0,0]=4 387 B7R1.3 NC1CCCOC1 0386AC [0,1,0,1,0,0|2,0,0]=4 388 B7R1.3 N[C@@H]1CCCNC1 X9699 [0,1,0,1,0,0|1,0,0]=3 389 B7R1.3 N[C@H]1CCCNC1 Y4134 [0,1,0,1,0,0|1,0,0]=3 390 B7R1.3 O=S1CCNCC1 V7654 [0,1,0,1,0,0|2,0,0]=4 391 B7R1.4 BrC1CCCC1Br 1288AQ [0,1,0,1,0,0|2,0,0]=4 392 B7R1.4 BrC1CCCC1Br 3089AB [0,1,0,1,0,0|2,0,0]=4 393 B7R1.4 ClC1CCOC1Cl 5221AL [0,1,0,1,0,0|2,0,0]=4 394 B7R1.4 NC1COCC1O 5780AA [0,1,0,1,0,0|2,0,0]=4 395 B7R1.4 NC1COCC1O 7148AA [0,1,0,1,0,0|2,0,0]=4 396 B7R1.4 NC1CSCC1O 0027AD [0,1,0,1,0,0|2,0,0]=4 397 B7R1.4 N[C@@H]1COC[C@H]1O 8700AH [0,1,0,1,0,0|2,0,0]=4 398 B7R1.4 N[C@H]1CCC[C@@H]1O 5744AC [0,1,0,1,0,0|2,0,0]=4 399 B7R1.4 N[C@H]1CCNC1=O 8251AB [0,1,0,1,0,0|1,0,1]=4 400 B7R1.4 N[C@H]1COC[C@@H]1O 4688AJ [0,1,0,1,0,0|2,0,0]=4 401 B7R1.4 O=C1NCC[C@H]1O W8410 [0,1,0,1,0,0|1,0,1]=4 402 B7R1.4 O[C@H]1CCC[C@H]1O 0705AP [0,1,0,1,0,0|2,0,0]=4 403 B7R1.4 O[C@H]1CNC[C@@H]1O Z4539 [0,1,0,1,0,0|1,0,0]=3 404 B7R1.6 CCOC1CNC1 4280AC [0,1,0,1,0,0|2,0,0]=4 405 B7R1.6 CNCC1CCC1 3149AD [0,1,0,1,0,0|2,0,0]=4 406 B7R1.6 ClCCN1CCC1 2792AA [0,1,0,1,0,0|2,0,0]=4 407 B7R1.6 O=CCC1CCC1 0019AC [0,1,0,1,0,0|1,0,1]=4 408 B7R1.6 OCCN1CCC1 0462AC [0,1,0,1,0,0|2,0,0]=4 409 B7R1.10 C=C1CC(CN)C1 5243AD [0,1,0,1,0,0|0,0,2]=4 410 B7R1.10 CCN1CC(O)C1 2284AJ [0,1,0,1,0,0|2,0,0]=4 411 B7R1.10 CN1CC(CN)C1 8339AH [0,1,0,1,0,0|1,0,0]=3 412 B7R1.10 CNC1CN(C)C1 0173AE [0,1,0,1,0,0|1,0,0]=3 413 B7R1.10 N#CC1CC(O)C1 0378AB [0,1,0,1,0,0|1,0,1]=4 414 B7R1.10 NC[C@H]1C[C@H](O)C1 2731AD [0,1,0,1,0,0|1,0,0]=3 415 B7R1.10 N[C@H]1C[C@@H](CO)C1 6981AA [0,1,0,1,0,0|0,0,0]=2 416 B7R1.10 O=C1CC(CCl)C1 2253AL [0,1,0,1,0,0|1,0,1]=4 417 B7R1.10 O=C1CC(CO)C1 9616AA [0,1,0,1,0,0|1,0,1]=4 418 B7R1.22 CCC(N)C1CC1 7479AD [0,1,0,1,0,0|1,0,0]=3 419 B7R1.22 NC(CO)C1CC1 X3745 [0,1,0,1,0,0|1,0,0]=3 420 B7R1.25 CC1(CCl)COC1 2252AL [0,1,0,1,0,0|2,0,0]=4 421 B7R1.25 CC1(CN)COC1 5827AA [0,1,0,1,0,0|2,0,0]=4 422 B7R1.20 CC(C)NC1CC1 V4644 [0,1,0,1,0,0|1,0,0]=3 423 B7R1.20 NC(=S)NC1CC1 V6652 [0,1,0,1,0,0|1,0,1]=4 424 B7R1.20 NC(N)=NC1CC1 5423AD [0,1,0,1,0,0|1,0,1]=4 425 B7R1.32 CC1(C)CC1(C)C 4327AL [0,1,0,1,0,0|1,0,0]=3 426 B7R1.32 CC1(C)OC1(C)C 1420AQ [0,1,0,1,0,0|2,0,0]=4 427 B7R1.32 CC1(N)CC1(F)F 3481AD [0,1,0,1,0,0|2,0,0]=4 428 B7R1.23 OCC1CC1(F)F X8433 [0,1,0,1,0,0|2,0,0]=4 429 B7R1.7 CCNCC1CC1 8749AD [0,1,0,1,0,0|1,0,0]=3 430 B7R1.7 CCOCC1CO1 7875AL [0,1,0,1,0,0|2,0,0]=4 431 B7R1.14 CC1(C)CCNC1 2404AC [0,1,0,1,0,0|0,0,0]=2 432 B7R1.14 CC1(C)COC=N1 6315AL [0,1,0,1,0,0|0,0,2]=4 433 B7R1.14 CC1(N)CCCC1 0991AQ [0,1,0,1,0,0|1,0,0]=3 434 B7R1.26 CC(C)(O)C1CC1 Y4733 [0,1,0,1,0,0|1,0,0]=3 435 B7R2.13 C1CC2CC2N1 1555AJ [0,0,0,2,0,0|0,0,0]=2 436 B7R2.13 C1NCC2CC12 Z1877 [0,0,0,2,0,0|0,0,0]=2