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|2,0,2]=4 2 B5R0.1 C=CCC(=C)C 5694AL [0,0,0,0,0,0|1,0,2]=3 3 B5R0.1 C=CCC(C)C 6595AL [0,0,0,0,0,0|1,0,0]=1 4 B5R0.1 C=CCC(C)O 7318AF [0,0,0,0,0,0|2,0,0]=2 5 B5R0.1 C=CCC(N)=O Y1568 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 C=COC(C)C 3476AL [0,0,0,0,0,0|2,0,0]=2 7 B5R0.1 CC#CC(C)C 6601AL [0,0,0,0,0,0|1,0,2]=3 8 B5R0.1 CC(Br)CC#N 6005AL [0,0,0,0,0,0|2,0,1]=3 9 B5R0.1 CC(C)=CCCl 7671AJ [0,0,0,0,0,0|1,0,3]=4 10 B5R0.1 CC(C)CCCl 7326AF [0,0,0,0,0,0|1,0,1]=2 11 B5R0.1 CC(O)CON 3604AB [0,0,0,0,0,0|3,0,0]=3 12 B5R0.1 CCC=C(C)C 7499AF [0,0,0,0,0,0|1,0,3]=4 13 B5R0.1 CCOC(C)C 7879AL [0,0,0,0,0,0|2,0,1]=3 14 B5R0.1 CCSC(C)C 7880AL [0,0,0,0,0,0|2,0,1]=3 15 B5R0.1 CNCC(C)=O 4565AF [0,0,0,0,0,0|3,0,1]=4 16 B5R0.1 CNCC(C)C 8603AL [0,0,0,0,0,0|2,0,0]=2 17 B5R0.1 COC[C@H](C)O W4988 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.1 C[C@H](N)CCO 3502AC [0,0,0,0,0,0|1,0,2]=3 19 B5R0.1 C\C=C\C(C)C 7501AF [0,0,0,0,0,0|1,0,1]=2 20 B4R0.1 BrCC(Br)Br X2956 [1,0,0,0,0,0|3,0,0]=4 21 B4R0.1 C#CC(C)Cl 6017AL [1,0,0,0,0,0|1,0,2]=4 22 B4R0.1 C=C=C(C)C 6086AL [1,0,0,0,0,0|0,0,2]=3 23 B4R0.1 C=CC(C)C 7308AF [1,0,0,0,0,0|0,0,1]=2 24 B4R0.1 C=NN(C)C 7943AL [1,0,0,0,0,0|2,0,0]=3 25 B4R0.1 CC(N)C#N V7482 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 CC(S)CS 4476AL [1,0,0,0,0,0|1,1,0]=3 27 B4R0.1 CSC(C)C 8107AL [1,0,0,0,0,0|1,0,1]=3 28 B4R0.1 CS[S+](C)C 7703AL [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 C\C=C(/C)Cl 5560AL [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 C\C=C(\C)Cl 4247AL [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 FC(Cl)CCl 3256AE [1,0,0,0,0,0|3,0,0]=4 32 B4R0.2 CCC=NO 0148AQ [1,0,0,0,0,0|1,0,2]=4 33 B4R0.2 CCCCF 8004AD [1,0,0,0,0,0|1,0,1]=3 34 B4R0.2 CCCNN 4415AE [1,0,0,0,0,0|2,0,0]=3 35 B4R0.2 CCCOC 4896AL [1,0,0,0,0,0|2,0,0]=3 36 B4R0.2 CCCON 6597AE [1,0,0,0,0,0|2,0,0]=3 37 B4R0.2 CCCSC U677 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.2 CCSCC E138 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.2 CNCC#N 8258AL [1,0,0,0,0,0|2,0,1]=4 40 B4R0.2 CSCCBr Y1764 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.2 C\C=C/CC 7428AL [1,0,0,0,0,0|1,0,1]=3 42 B4R0.2 Cl\C=C/CCl 7411AL [1,0,0,0,0,0|2,0,1]=4 43 B4R0.2 N#CCCS 0102AP [1,0,0,0,0,0|2,0,1]=4 44 B4R0.2 NCCON 6473AB [1,0,0,0,0,0|3,0,0]=4 45 B4R0.2 NCCON 7871AA [1,0,0,0,0,0|3,0,0]=4 46 B4R0.2 N\C=C/C=O 4699AJ [1,0,0,0,0,0|1,0,2]=4 47 B6R0.1 C#CCC(O)CC 6781AL [0,1,0,0,0,0|2,0,1]=4 48 B6R0.1 C=CC(C)CCC 6092AL [0,1,0,0,0,0|1,0,2]=4 49 B6R0.1 CCC(O)CNN 2943AE [0,1,0,0,0,0|3,0,0]=4 50 B6R0.1 CCCC(Br)CC 3975AB [0,1,0,0,0,0|2,0,1]=4 51 B6R0.1 CCCC(C)CC 7810AF [0,1,0,0,0,0|1,0,1]=3 52 B6R0.1 CCCC(C)CO 1207AA [0,1,0,0,0,0|1,0,1]=3 53 B6R0.1 CCCC(O)CC 7557AF [0,1,0,0,0,0|2,0,1]=4 54 B6R0.1 CCC[C@@H](N)CO 2554AC [0,1,0,0,0,0|2,0,1]=4 55 B6R0.1 CCNC(C)CC 7145AD [0,1,0,0,0,0|2,0,1]=4 56 B6R0.1 CCNC(C)CO 8218AD [0,1,0,0,0,0|2,0,1]=4 57 B6R0.1 CCOC(C)CC 8956AL [0,1,0,0,0,0|2,0,1]=4 58 B6R0.1 CCOC(C)CN 0082AD [0,1,0,0,0,0|2,0,1]=4 59 B6R0.1 CC[C@H](C)CCO 4202AL [0,1,0,0,0,0|0,0,2]=3 60 B6R0.1 CNC(C)CCO 8891AD [0,1,0,0,0,0|0,0,2]=3 61 B6R0.1 CNCC(C)OC 1691AF [0,1,0,0,0,0|2,0,0]=3 62 B6R0.1 OCC[C@@H](O)CO W7968 [0,1,0,0,0,0|1,0,2]=4 63 B6R0.1 O[C@H](CBr)CCBr 9809AB [0,1,0,0,0,0|2,0,1]=4 64 B6R0.2 CC(=O)CC(=O)[O-] 8151AL [0,1,0,0,0,0|1,0,1]=3 65 B6R0.2 CC(=O)SC(C)=O 7216AF [0,1,0,0,0,0|2,0,1]=4 66 B6R0.2 CC(C)=NN(C)C 6998AL [0,1,0,0,0,0|3,0,0]=4 67 B6R0.2 CC(C)CC(C)Br 3157AB [0,1,0,0,0,0|1,0,1]=3 68 B6R0.2 CC(C)CC(C)C 7809AF [0,1,0,0,0,0|1,0,1]=3 69 B6R0.2 CC(O)C[N+](=O)[O-] 0004AE [0,1,0,0,0,0|2,0,0]=3 70 B6R0.2 CN(C)CC(=O)[O-] 9593AA [0,1,0,0,0,0|1,0,0]=2 71 B6R0.2 CN(C)NC(N)=O 4373AL [0,1,0,0,0,0|2,0,0]=3 72 B6R0.2 C[C@H](Br)CC(=O)O V0016 [0,1,0,0,0,0|1,0,0]=2 73 B6R0.2 NC(=O)CC(=O)O 1571AB [0,1,0,0,0,0|2,0,1]=4 74 B6R0.3 CC(C#N)N(C)C 5120AE [0,1,0,0,0,0|2,0,1]=4 75 B6R0.3 CC(C)C(O)C#N 4772AD [0,1,0,0,0,0|1,0,1]=3 76 B6R0.3 CC(C)[C@H](N)CO 8725AA [0,1,0,0,0,0|0,0,2]=3 77 B6R0.3 CCC(C)C(C)C 5239AL [0,1,0,0,0,0|1,0,1]=3 78 B6R0.4 C=CCCC(=C)C 5696AL [0,1,0,0,0,0|1,0,2]=4 79 B6R0.4 C=CCCC(C)C 6791AL [0,1,0,0,0,0|1,0,0]=2 80 B6R0.4 CC(C)CCCCl 6814AE [0,1,0,0,0,0|1,0,1]=3 81 B6R0.4 CC(C)NCC#N Y7768 [0,1,0,0,0,0|1,0,1]=3 82 B6R0.4 CC(C)NCCCl 9576AB [0,1,0,0,0,0|1,0,1]=3 83 B6R0.4 CC(C)SCCCl 3252AE [0,1,0,0,0,0|1,0,1]=3 84 B6R0.4 CCCC=C(C)C 5704AL [0,1,0,0,0,0|1,0,2]=4 85 B6R0.4 CCCCC(C)Br 5535AL [0,1,0,0,0,0|2,0,1]=4 86 B6R0.4 CCCCC(C)C 5734AL [0,1,0,0,0,0|1,0,1]=3 87 B6R0.4 CCCCC(C)Cl 5578AL [0,1,0,0,0,0|2,0,1]=4 88 B6R0.4 CCCCC(C)N 7573AF [0,1,0,0,0,0|2,0,1]=4 89 B6R0.4 CCCCC(C)O 9467AB [0,1,0,0,0,0|2,0,1]=4 90 B6R0.4 CCOCC(C)N 0535AD [0,1,0,0,0,0|2,0,1]=4 91 B6R0.4 C\C=C\CC(C)C 6798AL [0,1,0,0,0,0|1,0,0]=2 92 B6R0.5 C=CCC(C)(C)C 6312AL [0,1,0,0,0,0|1,0,0]=2 93 B6R0.5 C=COC(C)(C)C 9102AJ [0,1,0,0,0,0|2,0,0]=3 94 B6R0.5 CC(C)(C)CC#N X4017 [0,1,0,0,0,0|1,0,1]=3 95 B6R0.5 CC(C)(C)NC#N 7313AF [0,1,0,0,0,0|2,0,1]=4 96 B6R0.5 CC(C)(O)CCCl 0206AB [0,1,0,0,0,0|1,0,1]=3 97 B6R0.5 CNCC(C)(C)C 0063AE [0,1,0,0,0,0|2,0,0]=3 98 B6R0.5 COCC(C)(C)N Y8196 [0,1,0,0,0,0|2,0,0]=3 99 B6R0.5 C[N+](C)(C)CCO 2907AC [0,1,0,0,0,0|1,0,2]=4 100 B6R1.2 CC1CCCN1 0591AQ [0,0,0,1,0,0|2,0,1]=4 101 B6R1.2 CC1CCCS1 7972AJ [0,0,0,1,0,0|2,0,1]=4 102 B6R1.2 CC1CCNC1 X9461 [0,0,0,1,0,0|1,0,1]=3 103 B6R1.2 CC1CCOC1 6124AL [0,0,0,1,0,0|0,0,2]=3 104 B6R1.2 CC1COCO1 6593AL [0,0,0,1,0,0|1,0,2]=4 105 B6R1.2 C[C@@H]1CCCN1 V2030 [0,0,0,1,0,0|2,0,1]=4 106 B6R1.2 FC1CCCC1 7941AL [0,0,0,1,0,0|2,0,1]=4 107 B6R1.2 FC1CCNC1 W3697 [0,0,0,1,0,0|2,0,1]=4 108 B6R1.2 FC1CCNC1 X9172 [0,0,0,1,0,0|2,0,1]=4 109 B6R1.2 F[C@H]1CCNC1 9169AH [0,0,0,1,0,0|2,0,1]=4 110 B6R1.2 NC1CCOC1 W9158 [0,0,0,1,0,0|1,0,2]=4 111 B6R1.2 N[C@H]1CCNC1 N118 [0,0,0,1,0,0|2,0,1]=4 112 B6R1.2 N[C@H]1CCOC1 W4304 [0,0,0,1,0,0|1,0,2]=4 113 B6R1.2 OC1CNOC1 0177AF [0,0,0,1,0,0|2,0,1]=4 114 B6R1.2 O[C@H]1CCSC1 Y1948 [0,0,0,1,0,0|1,1,1]=4 115 B6R1.3 BrCCC1CC1 8486AH [0,0,0,1,0,0|1,0,1]=3 116 B6R1.3 CCCC1CO1 4468AL [0,0,0,1,0,0|2,0,1]=4 117 B6R1.3 CCNC1CC1 2347AB [0,0,0,1,0,0|2,0,1]=4 118 B6R1.3 CCNC1CC1 3977AJ [0,0,0,1,0,0|2,0,1]=4 119 B6R1.3 COC[C@@H]1CO1 9238AJ [0,0,0,1,0,0|3,0,0]=4 120 B6R1.3 COC[C@H]1CO1 9221AJ [0,0,0,1,0,0|3,0,0]=4 121 B6R1.3 CONC1CC1 Z3770 [0,0,0,1,0,0|3,0,0]=4 122 B6R1.3 ICCC1CC1 8514AH [0,0,0,1,0,0|1,0,1]=3 123 B6R1.3 NNCC1CC1 4780AJ [0,0,0,1,0,0|2,0,0]=3 124 B6R1.3 O=C=NC1CC1 X4805 [0,0,0,1,0,0|1,0,1]=3 125 B6R1.5 CN1CC(N)C1 6718AC [0,0,0,1,0,0|2,0,1]=4 126 B6R1.5 CN1CC(O)C1 8767AC [0,0,0,1,0,0|1,0,2]=4 127 B6R1.5 NC1CC(O)C1 3558AA [0,0,0,1,0,0|1,0,2]=4 128 B6R1.5 NC1CC(O)C1 Z3827 [0,0,0,1,0,0|1,0,2]=4 129 B3R0.1 CCCF 3973AE [2,0,0,0,0,0|1,0,0]=3 130 B3R0.1 C\C=C\Br 4765AL [2,0,0,0,0,0|1,0,1]=4 131 B3R0.1 NCCN 6791AA [2,0,0,0,0,0|2,0,0]=4 132 B3R0.1 NCCN 6876AF [2,0,0,0,0,0|2,0,0]=4 133 B3R0.1 NCCN 9393AJ [2,0,0,0,0,0|2,0,0]=4 134 B3R0.1 NCCN E395 [2,0,0,0,0,0|2,0,0]=4 135 B3R0.2 CC(=O)[Cl] O182 [2,0,0,0,0,0|1,0,1]=4 136 B3R0.2 CC(=O)[O-] E849 [2,0,0,0,0,0|1,0,1]=4 137 B3R0.2 CC(=O)[O-] Y2043 [2,0,0,0,0,0|1,0,1]=4 138 B3R0.2 CC(=O)[O-] Y2049 [2,0,0,0,0,0|1,0,1]=4 139 B3R0.2 CN(C)N 3031AH [2,0,0,0,0,0|2,0,0]=4 140 B3R0.2 C[PH](C)=O 3279AL [2,0,0,0,0,0|1,0,0]=3 141 B3R0.2 C[S+](C)C 9165AJ [2,0,0,0,0,0|1,0,0]=3 142 B3R0.2 C[Sn](C)=O 6872AF [2,0,0,0,0,0|1,0,0]=3 143 B5R0.3 C=C[C@H](O)CO 1303AL [1,1,0,0,0,0|1,0,1]=4 144 B5R0.3 CC(CN)CN 1710AB [1,1,0,0,0,0|1,0,0]=3 145 B5R0.3 CC(CN)CO 0163AC [1,1,0,0,0,0|0,0,1]=3 146 B5R0.3 CCC(C)CCl U282 [1,1,0,0,0,0|0,0,1]=3 147 B5R0.3 CCC(C)NN 9798AD [1,1,0,0,0,0|1,0,1]=4 148 B5R0.3 CCC(Cl)CCl 4449AL [1,1,0,0,0,0|1,0,1]=4 149 B5R0.3 CCC(O)CBr 4766AL [1,1,0,0,0,0|1,0,1]=4 150 B5R0.3 CCC(S)CS 4441AL [1,1,0,0,0,0|1,0,1]=4 151 B5R0.3 CC[C@H](C)CCl 4194AL [1,1,0,0,0,0|0,0,1]=3 152 B5R0.3 CNC(C)C#N V3698 [1,1,0,0,0,0|1,0,1]=4 153 B5R0.3 COC(C)C#N 0627AE [1,1,0,0,0,0|1,0,1]=4 154 B5R0.3 C\C(C=O)=C/N 3293AB [1,1,0,0,0,0|0,0,2]=4 155 B5R0.3 C\C=C(/C)CC 0241AQ [1,1,0,0,0,0|0,0,2]=4 156 B5R0.3 C\C=C(/C)CC 9220AL [1,1,0,0,0,0|0,0,2]=4 157 B5R0.3 C\C=C(\C)CC 7440AL [1,1,0,0,0,0|0,0,2]=4 158 B5R0.3 FCC(Br)CBr 3889AE [1,1,0,0,0,0|2,0,0]=4 159 B5R0.4 C=C[Si](C)(C)Cl 8469AJ [1,1,0,0,0,0|0,1,1]=4 160 B5R0.4 CC(C)(I)C#N 5659AL [1,1,0,0,0,0|1,0,1]=4 161 B5R0.4 CCC(C)(Cl)Cl 5119AL [1,1,0,0,0,0|1,0,1]=4 162 B5R0.5 C=C(C)C(C)C 5230AL [1,1,0,0,0,0|0,0,1]=3 163 B5R0.5 CC(=O)C(=O)[O-] 7017AF [1,1,0,0,0,0|1,0,1]=4 164 B5R0.5 CC(=O)C(=O)[O-] 7018AF [1,1,0,0,0,0|1,0,1]=4 165 B5R0.5 CC(=O)C(C)F 0085AF [1,1,0,0,0,0|1,0,0]=3 166 B5R0.5 CC(=S)N(C)C 3685AL [1,1,0,0,0,0|1,1,0]=4 167 B5R0.5 CC(Cl)C(Cl)Cl 7030AF [1,1,0,0,0,0|2,0,0]=4 168 B5R0.5 CC(N)C(C)O 7117AF [1,1,0,0,0,0|1,0,1]=4 169 B5R0.5 CC(O)C(=N)N 2094AL [1,1,0,0,0,0|2,0,0]=4 170 B5R0.5 CC(O)C(=O)O Y1768 [1,1,0,0,0,0|1,0,0]=3 171 B5R0.5 CN(C)C(=N)N 3681AL [1,1,0,0,0,0|2,0,0]=4 172 B5R0.5 CN(C)C(N)=S 8335AE [1,1,0,0,0,0|1,1,0]=4 173 B5R0.5 C[C@H](N)C(N)=O 7048AH [1,1,0,0,0,0|1,0,0]=3 174 B5R0.5 NC(=O)C(F)Br 3265AE [1,1,0,0,0,0|2,0,0]=4 175 B5R0.5 NC(=O)C(F)I 3275AE [1,1,0,0,0,0|2,0,0]=4 176 B5R0.5 O=C(O)C(Cl)Br 8168AB [1,1,0,0,0,0|2,0,0]=4 177 B5R0.5 O=C(O)C(F)Br 8446AJ [1,1,0,0,0,0|2,0,0]=4 178 B5R0.5 O=C(O)C(F)Cl 4068AE [1,1,0,0,0,0|2,0,0]=4 179 B5R0.5 O=C([O-])C(F)Br 8443AE [1,1,0,0,0,0|2,0,0]=4 180 B5R0.5 O=C([O-])C(F)Cl 8442AE [1,1,0,0,0,0|2,0,0]=4 181 B5R0.5 O=C([O-])C(F)I 0009AD [1,1,0,0,0,0|2,0,0]=4 182 B5R0.2 C#CCCCBr 9466AL [1,1,0,0,0,0|1,0,1]=4 183 B5R0.2 C#CCCCI 0230AQ [1,1,0,0,0,0|1,0,1]=4 184 B5R0.2 C=CCCCN 7616AH [1,1,0,0,0,0|1,0,0]=3 185 B5R0.2 C=CCOCC 5601AE [1,1,0,0,0,0|1,0,0]=3 186 B5R0.2 C=CCSSC 7031AL [1,1,0,0,0,0|2,0,0]=4 187 B5R0.2 C=CC\C=C/C 0307AQ [1,1,0,0,0,0|1,0,1]=4 188 B5R0.2 CCCCOC 7303AL [1,1,0,0,0,0|0,0,2]=4 189 B5R0.2 CCCNCC 8554AL [1,1,0,0,0,0|1,0,1]=4 190 B5R0.2 CCCOCC 7892AL [1,1,0,0,0,0|1,0,1]=4 191 B5R0.2 CCCOCCl 4494AB [1,1,0,0,0,0|1,0,1]=4 192 B5R0.2 CCCSCC R576 [1,1,0,0,0,0|1,0,1]=4 193 B5R0.2 CCC\C=N\O 7272AF [1,1,0,0,0,0|0,0,1]=3 194 B5R0.2 CCOCCN 3903AD [1,1,0,0,0,0|1,0,1]=4 195 B5R0.2 CC\C=C\C#N 5776AL [1,1,0,0,0,0|1,0,1]=4 196 B5R0.2 COCCCI 9890AH [1,1,0,0,0,0|1,0,1]=4 197 B5R0.2 CSCCC#N 5452AE [1,1,0,0,0,0|1,0,1]=4 198 B5R0.2 [C-]#[N+]CCOC V5938 [1,1,0,0,0,0|2,0,0]=4 199 B7R0.2 C#CC(O)CC(C)C 6792AL [0,2,0,0,0,0|0,0,2]=4 200 B7R0.2 C=C(C)CC(C)CC 5312AL [0,2,0,0,0,0|1,0,0]=3 201 B7R0.2 C=CC(C)CC(=O)O 9796AA [0,2,0,0,0,0|0,0,1]=3 202 B7R0.2 C=CC(C)OC(C)=O 6010AL [0,2,0,0,0,0|1,0,1]=4 203 B7R0.2 CC(C)CC(N)C#N 5444AJ [0,2,0,0,0,0|1,0,1]=4 204 B7R0.2 CC(C)NC(=S)NN 3860AD [0,2,0,0,0,0|1,1,0]=4 205 B7R0.2 CC(CO)CN(C)C 0615AE [0,2,0,0,0,0|2,0,0]=4 206 B7R0.2 CC(O)CC(=O)NN 8247AD [0,2,0,0,0,0|1,0,0]=3 207 B7R0.2 CCC(C)CC(C)C 5322AL [0,2,0,0,0,0|1,0,1]=4 208 B7R0.2 CCC(N)CC(=O)O 2363AL [0,2,0,0,0,0|1,0,0]=3 209 B7R0.2 CCN(C)CC(C)=O 9608AC [0,2,0,0,0,0|1,0,0]=3 210 B7R0.2 CC[C@@H](N)CC(=O)O 9229AJ [0,2,0,0,0,0|1,0,0]=3 211 B7R0.2 CC[C@H](N)CC(=O)O 9250AJ [0,2,0,0,0,0|1,0,0]=3 212 B7R0.2 CN(C)C=C(Br)C=O 0627AQ [0,2,0,0,0,0|1,0,1]=4 213 B7R0.2 CN(C)C=C(I)C=O 1090AQ [0,2,0,0,0,0|1,0,1]=4 214 B7R0.2 CN(C)CC(=O)NN E002 [0,2,0,0,0,0|1,0,0]=3 215 B7R0.2 CN(C)CC(=O)NN W6825 [0,2,0,0,0,0|1,0,0]=3 216 B7R0.2 CN(C)C\C(N)=N\O 0290AC [0,2,0,0,0,0|1,0,1]=4 217 B7R0.2 CNC(=O)CC(=O)O 3048AE [0,2,0,0,0,0|1,0,1]=4 218 B7R0.2 CN\C(C)=C\C(C)=O 3696AC [0,2,0,0,0,0|0,0,2]=4 219 B7R0.2 COC(C)CC(=O)O 0132AA [0,2,0,0,0,0|0,0,0]=2 220 B7R0.2 NCC(N)CC(=O)O 5843AA [0,2,0,0,0,0|1,0,0]=3 221 B7R0.3 CCCCC(C)CC 6251AE [0,2,0,0,0,0|1,0,1]=4 222 B7R0.3 CC[C@H](C)CCCO 4203AL [0,2,0,0,0,0|0,0,2]=4 223 B7R0.3 COC(=O)CCC=O W3030 [0,2,0,0,0,0|1,0,1]=4 224 B7R0.3 COCO[C@@H](C)CO X7350 [0,2,0,0,0,0|2,0,0]=4 225 B7R0.5 CC(CCN)N(C)C 6615AE [0,2,0,0,0,0|1,0,1]=4 226 B7R0.5 CC(CCO)N(C)C 9228AD [0,2,0,0,0,0|0,0,2]=4 227 B7R0.5 CCCC(=O)C(C)C 5712AL [0,2,0,0,0,0|1,0,1]=4 228 B7R0.5 COCC(N)C(C)C 9904AH [0,2,0,0,0,0|0,0,2]=4 229 B7R0.5 C[C@H](NC=O)C(=O)O 7555AH [0,2,0,0,0,0|1,0,1]=4 230 B7R0.7 CCCC(C)CCO 6091AL [0,2,0,0,0,0|0,0,2]=4 231 B7R0.10 C=CC(C)C(C)CC 5904AL [0,2,0,0,0,0|1,0,0]=3 232 B7R0.10 CCC(C)C(C)CC 5907AL [0,2,0,0,0,0|1,0,1]=4 233 B7R0.10 COC(=O)C(Cl)C=O 7018AD [0,2,0,0,0,0|1,0,1]=4 234 B7R0.11 COC(C)(C)CCN 3408AD [0,2,0,0,0,0|1,0,1]=4 235 B7R0.11 COCC(C)(C)CN 9457AE [0,2,0,0,0,0|2,0,0]=4 236 B7R0.11 COCC(C)(C)CO Y5474 [0,2,0,0,0,0|2,0,0]=4 237 B7R0.12 C=CCN(CC)CC 8432AL [0,2,0,0,0,0|2,0,0]=4 238 B7R0.12 COC(CC#N)OC 8500AB [0,2,0,0,0,0|1,0,1]=4 239 B7R0.12 COC(CCCl)OC 6016AL [0,2,0,0,0,0|1,0,1]=4 240 B7R0.9 CC(=O)CC(C)(C)N 7542AF [0,2,0,0,0,0|0,0,0]=2 241 B7R0.9 CC(C)(N)CC(=O)O W7151 [0,2,0,0,0,0|0,0,0]=2 242 B7R0.9 CC(C)C[Si](Cl)(Cl)Cl 8724AJ [0,2,0,0,0,0|1,1,0]=4 243 B7R0.9 CC(C)NS(=O)(=O)Cl 2239AB [0,2,0,0,0,0|2,0,0]=4 244 B7R0.9 CS(=O)(=O)CC(N)=O 5300AJ [0,2,0,0,0,0|2,0,0]=4 245 B7R0.9 NC(=O)CC(F)(F)F 6340AB [0,2,0,0,0,0|2,0,0]=4 246 B7R0.16 CC(=O)C(Br)C(C)=O 9608AD [0,2,0,0,0,0|1,0,1]=4 247 B7R0.16 CC(C(=O)O)N(C)C 5353AD [0,2,0,0,0,0|1,0,0]=3 248 B7R0.16 CC(C)C(=O)C(=O)[O-] 4739AB [0,2,0,0,0,0|0,0,1]=3 249 B7R0.16 CC(C)C(C)C(C)C 7982AF [0,2,0,0,0,0|1,0,1]=4 250 B7R0.16 CC(C)C(F)C(=O)O W3426 [0,2,0,0,0,0|0,0,0]=2 251 B7R0.14 CC(C)(C)[C@H](N)CO X9000 [0,2,0,0,0,0|0,0,2]=4 252 B7R0.14 CNC(C)C(C)(C)C 2628AF [0,2,0,0,0,0|2,0,0]=4 253 B7R0.4 C#CCNCC(C)C 7082AC [0,2,0,0,0,0|1,0,1]=4 254 B7R0.4 CC(C)CCCCO 6988AE [0,2,0,0,0,0|0,0,2]=4 255 B7R0.4 CC(C)CCN=C=O 5158AD [0,2,0,0,0,0|0,0,1]=3 256 B7R0.4 CC(C)COCCN 0042AD [0,2,0,0,0,0|1,0,1]=4 257 B7R0.4 CC(C)CSCCO 5051AL [0,2,0,0,0,0|0,0,2]=4 258 B7R0.4 CC(C)NCCC#N 8236AE [0,2,0,0,0,0|1,0,1]=4 259 B7R0.4 CC(C)OCCC#N X5661 [0,2,0,0,0,0|1,0,1]=4 260 B7R0.4 CC(C)OCCCCl U192 [0,2,0,0,0,0|1,0,1]=4 261 B7R0.4 CC(C)OCCCO 9315AD [0,2,0,0,0,0|0,0,2]=4 262 B7R0.4 CCCCCC(C)C 5733AL [0,2,0,0,0,0|1,0,1]=4 263 B7R0.4 CCCCNC(C)C 2334AE [0,2,0,0,0,0|1,0,1]=4 264 B7R0.4 COCCNC(C)C 8018AC [0,2,0,0,0,0|0,0,2]=4 265 B7R0.6 C=C(C)CCC(C)C 5371AL [0,2,0,0,0,0|1,0,0]=3 266 B7R0.6 CC(=O)CCN(C)C 8474AD [0,2,0,0,0,0|1,0,0]=3 267 B7R0.6 CC(=O)NN=C(C)C 3890AH [0,2,0,0,0,0|1,0,1]=4 268 B7R0.6 CC(=O)NNC(C)C 6165AB [0,2,0,0,0,0|1,0,0]=3 269 B7R0.6 CC(=O)SCC(=O)O Y7206 [0,2,0,0,0,0|1,0,1]=4 270 B7R0.6 CC(=O)\C=C\C(C)C 6802AL [0,2,0,0,0,0|0,0,1]=3 271 B7R0.6 CC(C)CCC(C)C 5381AL [0,2,0,0,0,0|1,0,1]=4 272 B7R0.6 CC(C)CNC(C)C 2335AE [0,2,0,0,0,0|1,0,1]=4 273 B7R0.6 CC(C)\C=C\[N+](=O)[O-] 2447AL [0,2,0,0,0,0|0,0,1]=3 274 B7R0.8 CC(C)(C)CCC#N X3674 [0,2,0,0,0,0|1,0,1]=4 275 B7R0.8 CC(C)(C)SCCN 7714AD [0,2,0,0,0,0|1,0,1]=4 276 B7R0.8 CC(C)(O)CCCN 6321AJ [0,2,0,0,0,0|1,0,1]=4 277 B7R0.8 CCCCC(C)(C)C 5136AL [0,2,0,0,0,0|1,0,1]=4 278 B7R0.8 CCNCC(C)(C)O 9524AH [0,2,0,0,0,0|1,0,1]=4 279 B7R0.8 CNCCC(C)(C)C 9066AC [0,2,0,0,0,0|1,0,1]=4 280 B5R1.2 IC1CNC1 2304AJ [1,0,0,1,0,0|2,0,0]=4 281 B5R1.2 NC1CSC1 V9418 [1,0,0,1,0,0|1,1,0]=4 282 B5R1.2 OC1CSC1 Z6583 [1,0,0,1,0,0|1,1,0]=4 283 B5R1.3 CNC1CC1 X4771 [1,0,0,1,0,0|1,0,1]=4 284 B5R1.3 FCC1CO1 1377AQ [1,0,0,1,0,0|2,0,0]=4 285 B5R1.3 OCC1CO1 Y6562 [1,0,0,1,0,0|1,0,1]=4 286 B5R1.3 [C-]#[N+]C1CC1 6101AE [1,0,0,1,0,0|1,0,1]=4 287 B5R1.4 N[C@@H]1C[C@H]1N 3501AB [1,0,0,1,0,0|2,0,0]=4 288 B5R1.5 CC1(C)CN1 8787AD [1,0,0,1,0,0|1,0,0]=3 289 B5R1.5 CC1(C)CS1 8089AL [1,0,0,1,0,0|0,1,0]=3 290 B5R1.1 C1=NNCC1 5793AL [1,0,0,1,0,0|2,0,0]=4 291 B5R1.1 C1CNNC1 Z5309 [1,0,0,1,0,0|2,0,0]=4 292 B5R1.1 C1CNOC1 2460AE [1,0,0,1,0,0|1,0,1]=4 293 B7R1.1 BrCC1CCOC1 8390AA [0,1,0,1,0,0|0,0,2]=4 294 B7R1.1 CCC1CCCC1 7901AL [0,1,0,1,0,0|1,0,1]=4 295 B7R1.1 CCC1CCNC1 9496AE [0,1,0,1,0,0|1,0,1]=4 296 B7R1.1 CNC1CCNC1 2827AC [0,1,0,1,0,0|1,0,1]=4 297 B7R1.1 CNC1CCOC1 Z5570 [0,1,0,1,0,0|0,0,2]=4 298 B7R1.1 CN[C@@H]1CCNC1 X6025 [0,1,0,1,0,0|1,0,1]=4 299 B7R1.1 CN[C@@H]1CCOC1 2045AJ [0,1,0,1,0,0|0,0,2]=4 300 B7R1.1 CN[C@@H]1CCOC1 9048AH [0,1,0,1,0,0|0,0,2]=4 301 B7R1.1 NCC1CCCC1 3974AJ [0,1,0,1,0,0|1,0,1]=4 302 B7R1.1 NCC1CCCC1 3975AJ [0,1,0,1,0,0|1,0,1]=4 303 B7R1.1 NCC1CCNC1 0361AC [0,1,0,1,0,0|1,0,1]=4 304 B7R1.1 OCC1CCNC1 W6601 [0,1,0,1,0,0|1,0,1]=4 305 B7R1.2 CC1=NOC(=O)C1 0252AQ [0,1,0,1,0,0|1,0,1]=4 306 B7R1.2 CC1CNC(=O)C1 X7991 [0,1,0,1,0,0|0,0,0]=2 307 B7R1.2 CC1CNC(=O)O1 8398AC [0,1,0,1,0,0|1,0,0]=3 308 B7R1.2 CC1CNC(=S)N1 7200AD [0,1,0,1,0,0|1,1,0]=4 309 B7R1.2 C[C@H]1C[C@H](O)CN1 1991AA [0,1,0,1,0,0|0,0,2]=4 310 B7R1.2 NC1CNC(=O)C1 9509AL [0,1,0,1,0,0|1,0,0]=3 311 B7R1.2 O=C1CCC(I)C1 3588AC [0,1,0,1,0,0|1,0,0]=3 312 B7R1.2 O=C1CCC(O)N1 W1140 [0,1,0,1,0,0|2,0,0]=4 313 B7R1.2 O=C1CNC(=O)C1 X3858 [0,1,0,1,0,0|1,0,1]=4 314 B7R1.2 O=C1CNC(S)S1 5679AL [0,1,0,1,0,0|2,0,0]=4 315 B7R1.3 CC1=CCC=CC1 7751AF [0,1,0,1,0,0|1,0,1]=4 316 B7R1.3 CC1C=CCCC1 6090AL [0,1,0,1,0,0|1,0,1]=4 317 B7R1.3 CC1CCCCN1 7117AB [0,1,0,1,0,0|1,0,1]=4 318 B7R1.3 CC1CCOCO1 8171AJ [0,1,0,1,0,0|0,0,2]=4 319 B7R1.3 CC1CNCCO1 8808AB [0,1,0,1,0,0|1,0,1]=4 320 B7R1.3 C[C@@H]1CCCNC1 Z4441 [0,1,0,1,0,0|1,0,1]=4 321 B7R1.3 NC1CC=CCC1 3966AJ [0,1,0,1,0,0|2,0,0]=4 322 B7R1.6 CNCC1CCC1 3149AD [0,1,0,1,0,0|2,0,0]=4 323 B7R1.6 O=CC=C1COC1 5578AC [0,1,0,1,0,0|0,0,2]=4 324 B7R1.6 O=CCC1CCC1 0019AC [0,1,0,1,0,0|0,0,0]=2 325 B7R1.10 C=C1CC(CN)C1 5243AD [0,1,0,1,0,0|1,0,0]=3 326 B7R1.10 CN1CC(CN)C1 8339AH [0,1,0,1,0,0|2,0,0]=4 327 B7R1.10 CNC1CN(C)C1 0173AE [0,1,0,1,0,0|2,0,0]=4 328 B7R1.10 NC[C@H]1C[C@H](O)C1 2731AD [0,1,0,1,0,0|0,0,2]=4 329 B7R1.10 N[C@H]1C[C@@H](CO)C1 6981AA [0,1,0,1,0,0|1,0,1]=4 330 B7R1.10 O=C1CC(CCl)C1 2253AL [0,1,0,1,0,0|0,0,0]=2 331 B7R1.10 O=C1CC(CO)C1 9616AA [0,1,0,1,0,0|0,0,0]=2 332 B7R1.22 CCC(N)C1CC1 7479AD [0,1,0,1,0,0|1,0,1]=4 333 B7R1.22 CN(C=O)C1CC1 V3060 [0,1,0,1,0,0|1,0,0]=3 334 B7R1.22 NC(CO)C1CC1 X3745 [0,1,0,1,0,0|0,0,2]=4 335 B7R1.25 CC1(CCl)COC1 2252AL [0,1,0,1,0,0|2,0,0]=4 336 B7R1.25 CC1(CN)COC1 5827AA [0,1,0,1,0,0|2,0,0]=4 337 B7R1.16 O=S1(=O)CC(Br)C1 A897 [0,1,0,1,0,0|2,0,0]=4 338 B7R1.20 CC(C)NC1CC1 V4644 [0,1,0,1,0,0|1,0,1]=4 339 B7R1.20 NC(=S)NC1CC1 V6652 [0,1,0,1,0,0|1,1,0]=4 340 B7R1.20 NC(N)=NC1CC1 5423AD [0,1,0,1,0,0|2,0,0]=4 341 B7R1.32 CC1(C)CC1(C)C 4327AL [0,1,0,1,0,0|1,0,1]=4 342 B7R1.7 CCNCC1CC1 8749AD [0,1,0,1,0,0|1,0,1]=4 343 B7R1.7 CO\C=C\C1CC1 8518AH [0,1,0,1,0,0|0,0,2]=4 344 B7R1.14 CC1(C)CCNC1 2404AC [0,1,0,1,0,0|1,0,1]=4 345 B7R1.14 CC1(C)COC=N1 6315AL [0,1,0,1,0,0|1,0,0]=3 346 B7R1.14 CC1(N)CCCC1 0991AQ [0,1,0,1,0,0|1,0,1]=4 347 B7R1.26 CC(C)(O)C1CC1 Y4733 [0,1,0,1,0,0|1,0,1]=4 348 B7R2.13 C1CC2CC2N1 1555AJ [0,0,0,2,0,0|1,0,1]=4 349 B7R2.13 C1NCC2CC12 Z1877 [0,0,0,2,0,0|1,0,1]=4