0 B4R0.2 C#CCON 4433AJ [0,0,0,0,0,0|2,0,2]=4 1 B4R0.2 C=C=CCO 0432AQ [0,0,0,0,0,0|2,0,2]=4 2 B4R0.2 CCC=NO 0148AQ [0,0,0,0,0,0|1,0,2]=3 3 B4R0.2 CCCCF 8004AD [0,0,0,0,0,0|1,0,1]=2 4 B4R0.2 CCCNN 4415AE [0,0,0,0,0,0|2,0,0]=2 5 B4R0.2 CCCOC 4896AL [0,0,0,0,0,0|2,0,0]=2 6 B4R0.2 CCCON 6597AE [0,0,0,0,0,0|2,0,0]=2 7 B4R0.2 CCCSC U677 [0,0,0,0,0,0|2,0,0]=2 8 B4R0.2 CCSCC E138 [0,0,0,0,0,0|2,0,1]=3 9 B4R0.2 CNCC#N 8258AL [0,0,0,0,0,0|2,0,1]=3 10 B4R0.2 CSCCBr Y1764 [0,0,0,0,0,0|2,0,1]=3 11 B4R0.2 C\C=C/CC 7428AL [0,0,0,0,0,0|1,0,1]=2 12 B4R0.2 Cl\C=C/CCl 7411AL [0,0,0,0,0,0|2,0,1]=3 13 B4R0.2 N#CCCS 0102AP [0,0,0,0,0,0|2,0,1]=3 14 B4R0.2 NCCON 6473AB [0,0,0,0,0,0|3,0,0]=3 15 B4R0.2 NCCON 7871AA [0,0,0,0,0,0|3,0,0]=3 16 B4R0.2 N\C=C/C=O 4699AJ [0,0,0,0,0,0|1,0,2]=3 17 B4R0.2 O=[Pr]O[Pr]=O Y1145 [0,0,0,0,0,0|4,0,0]=4 18 B3R0.1 Br\C=C\Br 6810AF [1,0,0,0,0,0|2,0,1]=4 19 B3R0.1 CCCF 3973AE [1,0,0,0,0,0|1,0,0]=2 20 B3R0.1 C\C=C\Br 4765AL [1,0,0,0,0,0|1,0,1]=3 21 B3R0.1 NCCN 6791AA [1,0,0,0,0,0|2,0,0]=3 22 B3R0.1 NCCN 6876AF [1,0,0,0,0,0|2,0,0]=3 23 B3R0.1 NCCN 9393AJ [1,0,0,0,0,0|2,0,0]=3 24 B3R0.1 NCCN E395 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.1 C#CCC(C)O 6664AL [0,1,0,0,0,0|1,0,1]=3 26 B5R0.1 C=C(C)CON 4430AJ [0,1,0,0,0,0|2,0,1]=4 27 B5R0.1 C=CCC(=C)C 5694AL [0,1,0,0,0,0|1,0,1]=3 28 B5R0.1 C=CCC(C)C 6595AL [0,1,0,0,0,0|1,0,0]=2 29 B5R0.1 C=CCC(C)O 7318AF [0,1,0,0,0,0|1,0,0]=2 30 B5R0.1 C=CCC(N)=O Y1568 [0,1,0,0,0,0|0,0,2]=3 31 B5R0.1 C=COC(C)C 3476AL [0,1,0,0,0,0|2,0,0]=3 32 B5R0.1 CC#CC(C)C 6601AL [0,1,0,0,0,0|1,0,2]=4 33 B5R0.1 CC(Br)CC#N 6005AL [0,1,0,0,0,0|1,0,1]=3 34 B5R0.1 CC(C)=CCCl 7671AJ [0,1,0,0,0,0|2,0,1]=4 35 B5R0.1 CC(C)CCCl 7326AF [0,1,0,0,0,0|1,0,1]=3 36 B5R0.1 CC(O)CON 3604AB [0,1,0,0,0,0|2,0,0]=3 37 B5R0.1 CCC=C(C)C 7499AF [0,1,0,0,0,0|1,0,1]=3 38 B5R0.1 CCOC(C)C 7879AL [0,1,0,0,0,0|2,0,1]=4 39 B5R0.1 CCSC(=N)N 2034AH [0,1,0,0,0,0|2,0,0]=3 40 B5R0.1 CCSC(C)C 7880AL [0,1,0,0,0,0|2,0,1]=4 41 B5R0.1 CNCC(C)=O 4565AF [0,1,0,0,0,0|1,0,0]=2 42 B5R0.1 CNCC(C)C 8603AL [0,1,0,0,0,0|2,0,0]=3 43 B5R0.1 COCC(=N)N 1769AJ [0,1,0,0,0,0|2,0,0]=3 44 B5R0.1 COC[C@H](C)O W4988 [0,1,0,0,0,0|2,0,0]=3 45 B5R0.1 CSCC(=N)N 1816AJ [0,1,0,0,0,0|2,0,0]=3 46 B5R0.1 C[C@H](N)CCO 3502AC [0,1,0,0,0,0|0,0,2]=3 47 B5R0.1 C\C(Cl)=C\CN 9653AD [0,1,0,0,0,0|2,0,1]=4 48 B5R0.1 C\C(Cl)=C\CO X6578 [0,1,0,0,0,0|2,0,1]=4 49 B5R0.1 C\C=C\C(C)C 7501AF [0,1,0,0,0,0|1,0,1]=3 50 B5R0.1 C\C=C\C(N)=O 7909AD [0,1,0,0,0,0|0,0,2]=3 51 B5R0.1 N#CCC(=O)[O-] 7007AF [0,1,0,0,0,0|1,0,1]=3 52 B5R0.1 NC(=O)CCO 8063AJ [0,1,0,0,0,0|1,0,0]=2 53 B5R0.1 O=C(O)CCF 6350AB [0,1,0,0,0,0|1,0,0]=2 54 B5R0.1 O=C(O)\C=C/Br V3608 [0,1,0,0,0,0|1,0,2]=4 55 B5R0.1 O=C(O)\C=C/I 9333AB [0,1,0,0,0,0|1,0,2]=4 56 B5R0.1 O=C(O)\C=C\I V7047 [0,1,0,0,0,0|1,0,2]=4 57 B5R0.2 C#CCCC#C X3713 [0,1,0,0,0,0|1,0,2]=4 58 B5R0.2 C#CCCCBr 9466AL [0,1,0,0,0,0|1,0,1]=3 59 B5R0.2 C#CCCCI 0230AQ [0,1,0,0,0,0|1,0,1]=3 60 B5R0.2 C=CCCCN 7616AH [0,1,0,0,0,0|1,0,0]=2 61 B5R0.2 C=CCOCC 5601AE [0,1,0,0,0,0|1,0,0]=2 62 B5R0.2 C=CCSSC 7031AL [0,1,0,0,0,0|2,0,0]=3 63 B5R0.2 C=CC\C=C/C 0307AQ [0,1,0,0,0,0|1,0,1]=3 64 B5R0.2 CC#CCCO 6150AL [0,1,0,0,0,0|0,0,3]=4 65 B5R0.2 CCCCOC 7303AL [0,1,0,0,0,0|0,0,2]=3 66 B5R0.2 CCCNCC 8554AL [0,1,0,0,0,0|1,0,1]=3 67 B5R0.2 CCCOCC 7892AL [0,1,0,0,0,0|1,0,1]=3 68 B5R0.2 CCCOCCl 4494AB [0,1,0,0,0,0|1,0,1]=3 69 B5R0.2 CCCSCC R576 [0,1,0,0,0,0|1,0,1]=3 70 B5R0.2 CCC\C=N\O 7272AF [0,1,0,0,0,0|0,0,1]=2 71 B5R0.2 CCOCCN 3903AD [0,1,0,0,0,0|1,0,1]=3 72 B5R0.2 CC[Se][Se]CC 7651AL [0,1,0,0,0,0|2,0,1]=4 73 B5R0.2 CC\C=C\C#N 5776AL [0,1,0,0,0,0|1,0,1]=3 74 B5R0.2 COCCCI 9890AH [0,1,0,0,0,0|1,0,1]=3 75 B5R0.2 COCN=C=S 6701AD [0,1,0,0,0,0|1,1,1]=4 76 B5R0.2 CSCCC#N 5452AE [0,1,0,0,0,0|1,0,1]=3 77 B5R0.2 ClCCOCCl 7247AA [0,1,0,0,0,0|2,0,1]=4 78 B5R0.2 NC\C=C/CCl 3552AH [0,1,0,0,0,0|2,0,1]=4 79 B5R0.2 NC\C=C/CN Z2171 [0,1,0,0,0,0|2,0,1]=4 80 B5R0.2 NOC\C=C\Cl 6798AC [0,1,0,0,0,0|2,0,1]=4 81 B5R0.2 [C-]#[N+]CCOC V5938 [0,1,0,0,0,0|2,0,0]=3 82 B5R0.3 C=C[C@H](O)CO 1303AL [0,1,0,0,0,0|2,0,0]=3 83 B5R0.3 CC(CN)CN 1710AB [0,1,0,0,0,0|2,0,1]=4 84 B5R0.3 CC(CN)CO 0163AC [0,1,0,0,0,0|1,0,2]=4 85 B5R0.3 CCC(=O)CN X8894 [0,1,0,0,0,0|1,0,2]=4 86 B5R0.3 CCC(=O)CO X5132 [0,1,0,0,0,0|0,0,3]=4 87 B5R0.3 CCC(=S)OC R571 [0,1,0,0,0,0|2,0,1]=4 88 B5R0.3 CCC(C)CCl U282 [0,1,0,0,0,0|1,0,1]=3 89 B5R0.3 CCC(C)NN 9798AD [0,1,0,0,0,0|2,0,0]=3 90 B5R0.3 CCC(Cl)CCl 4449AL [0,1,0,0,0,0|1,0,1]=3 91 B5R0.3 CCC(O)C#N 7246AF [0,1,0,0,0,0|1,0,1]=3 92 B5R0.3 CCC(O)CBr 4766AL [0,1,0,0,0,0|1,0,1]=3 93 B5R0.3 CCC(S)CS 4441AL [0,1,0,0,0,0|0,1,1]=3 94 B5R0.3 CC[C@H](C)CCl 4194AL [0,1,0,0,0,0|1,0,1]=3 95 B5R0.3 CNC(C)C#N V3698 [0,1,0,0,0,0|2,0,1]=4 96 B5R0.3 COC(C)C#N 0627AE [0,1,0,0,0,0|2,0,1]=4 97 B5R0.3 C\C(C=O)=C/N 3293AB [0,1,0,0,0,0|1,0,2]=4 98 B5R0.3 C\C=C(/C)CC 0241AQ [0,1,0,0,0,0|1,0,1]=3 99 B5R0.3 C\C=C(/C)CC 9220AL [0,1,0,0,0,0|1,0,1]=3 100 B5R0.3 C\C=C(\C)CC 7440AL [0,1,0,0,0,0|1,0,1]=3 101 B5R0.3 FCC(Br)CBr 3889AE [0,1,0,0,0,0|2,0,1]=4 102 B5R0.3 N#CC(Br)CBr 3926AE [0,1,0,0,0,0|2,0,1]=4 103 B5R1.1 C1=NNCC1 5793AL [0,0,0,1,0,0|2,0,0]=3 104 B5R1.1 C1CNNC1 Z5309 [0,0,0,1,0,0|2,0,0]=3 105 B5R1.1 C1CNOC1 2460AE [0,0,0,1,0,0|1,0,1]=3 106 B5R1.1 C1CSCS1 0673AQ [0,0,0,1,0,0|1,1,1]=4 107 B5R1.2 C=C1CCC1 3599AL [0,0,0,1,0,0|1,0,0]=2 108 B5R1.2 IC1CNC1 2304AJ [0,0,0,1,0,0|2,0,1]=4 109 B5R1.2 NC1CSC1 V9418 [0,0,0,1,0,0|2,0,1]=4 110 B5R1.2 OC1CSC1 Z6583 [0,0,0,1,0,0|1,0,2]=4 111 B5R1.3 CNC1CC1 X4771 [0,0,0,1,0,0|2,0,0]=3 112 B5R1.3 FCC1CO1 1377AQ [0,0,0,1,0,0|1,0,2]=4 113 B5R1.3 OCC1CO1 Y6562 [0,0,0,1,0,0|1,0,2]=4 114 B5R1.3 [C-]#[N+]C1CC1 6101AE [0,0,0,1,0,0|2,0,0]=3 115 B5R1.4 N[C@@H]1C[C@H]1N 3501AB [0,0,0,1,0,0|2,0,1]=4 116 B2R0.1 C=NO 8435AF [2,0,0,0,0,0|2,0,0]=4 117 B2R0.1 N=CN 7945AL [2,0,0,0,0,0|2,0,0]=4 118 B2R0.1 O=C[O-] 7946AL [2,0,0,0,0,0|1,0,0]=3 119 B2R0.1 O=C[O-] 8928AL [2,0,0,0,0,0|1,0,0]=3 120 B2R0.1 O=[Ir]=O 8780AF [2,0,0,0,0,0|2,0,0]=4 121 B4R0.1 BrCC(Br)Br X2956 [1,1,0,0,0,0|2,0,0]=4 122 B4R0.1 C#CC(C)Cl 6017AL [1,1,0,0,0,0|0,0,2]=4 123 B4R0.1 C=C(F)CCl 6785AE [1,1,0,0,0,0|1,0,1]=4 124 B4R0.1 C=C=C(C)C 6086AL [1,1,0,0,0,0|0,0,2]=4 125 B4R0.1 C=CC(C)C 7308AF [1,1,0,0,0,0|0,0,1]=3 126 B4R0.1 C=NN(C)C 7943AL [1,1,0,0,0,0|2,0,0]=4 127 B4R0.1 CC(=O)NBr 6847AF [1,1,0,0,0,0|2,0,0]=4 128 B4R0.1 CC(=O)NBr 6848AF [1,1,0,0,0,0|2,0,0]=4 129 B4R0.1 CC(N)C#N V7482 [1,1,0,0,0,0|1,0,1]=4 130 B4R0.1 CC(S)CS 4476AL [1,1,0,0,0,0|0,1,0]=3 131 B4R0.1 CCC(=O)Br C859 [1,1,0,0,0,0|0,0,0]=2 132 B4R0.1 CC[SiH](Cl)Cl 7902AL [1,1,0,0,0,0|1,1,0]=4 133 B4R0.1 CSC(=N)N 4399AD [1,1,0,0,0,0|2,0,0]=4 134 B4R0.1 CSC(C)=O 9061AJ [1,1,0,0,0,0|1,0,0]=3 135 B4R0.1 CSC(C)C 8107AL [1,1,0,0,0,0|1,0,1]=4 136 B4R0.1 C\C=C(/C)Cl 5560AL [1,1,0,0,0,0|1,0,1]=4 137 B4R0.1 C\C=C(\C)Cl 4247AL [1,1,0,0,0,0|1,0,1]=4 138 B4R0.1 FC(Cl)CCl 3256AE [1,1,0,0,0,0|2,0,0]=4 139 B4R0.1 N=C(N)CO 6468AB [1,1,0,0,0,0|2,0,0]=4 140 B4R0.1 NCC(=O)O 7986AL [1,1,0,0,0,0|1,0,0]=3 141 B4R0.1 NCC(=O)[O-] P522 [1,1,0,0,0,0|1,0,0]=3 142 B6R0.1 C#CC(O)CCC X7102 [0,2,0,0,0,0|0,0,2]=4 143 B6R0.1 C#CCC(=O)OC 3698AB [0,2,0,0,0,0|0,0,2]=4 144 B6R0.1 C#CCC(O)CC 6781AL [0,2,0,0,0,0|1,0,1]=4 145 B6R0.1 C=CC(C)CCC 6092AL [0,2,0,0,0,0|1,0,0]=3 146 B6R0.1 CC#CC(=O)OC X7106 [0,2,0,0,0,0|0,0,2]=4 147 B6R0.1 CCC(=O)CSC K829 [0,2,0,0,0,0|1,0,0]=3 148 B6R0.1 CCC(O)CNN 2943AE [0,2,0,0,0,0|1,0,1]=4 149 B6R0.1 CCCC(=O)SC 8847AJ [0,2,0,0,0,0|0,0,0]=2 150 B6R0.1 CCCC(Br)CC 3975AB [0,2,0,0,0,0|1,0,1]=4 151 B6R0.1 CCCC(C)CC 7810AF [0,2,0,0,0,0|1,0,1]=4 152 B6R0.1 CCCC(C)CO 1207AA [0,2,0,0,0,0|0,0,2]=4 153 B6R0.1 CCCC(O)CC 7557AF [0,2,0,0,0,0|0,0,2]=4 154 B6R0.1 CCC[C@@H](N)CO 2554AC [0,2,0,0,0,0|0,0,2]=4 155 B6R0.1 CCNC(=O)CBr 5060AE [0,2,0,0,0,0|1,0,0]=3 156 B6R0.1 CCNC(=O)CN 8793AD [0,2,0,0,0,0|1,0,0]=3 157 B6R0.1 CCNC(C)CC 7145AD [0,2,0,0,0,0|1,0,1]=4 158 B6R0.1 CCNC(C)CO 8218AD [0,2,0,0,0,0|0,0,2]=4 159 B6R0.1 CCOC(=N)CC 8352AC [0,2,0,0,0,0|2,0,0]=4 160 B6R0.1 CCOC(C)CC 8956AL [0,2,0,0,0,0|1,0,1]=4 161 B6R0.1 CCOC(C)CN 0082AD [0,2,0,0,0,0|1,0,1]=4 162 B6R0.1 CCSC(=O)CC 8960AL [0,2,0,0,0,0|1,0,0]=3 163 B6R0.1 CC[C@H](C)CCO 4202AL [0,2,0,0,0,0|0,0,2]=4 164 B6R0.1 CNC(=O)CCCl 2983AE [0,2,0,0,0,0|1,0,0]=3 165 B6R0.1 CNC(=O)CCO 8079AE [0,2,0,0,0,0|1,0,0]=3 166 B6R0.1 CNC(C)CCO 8891AD [0,2,0,0,0,0|0,0,2]=4 167 B6R0.1 CNCC(=O)NC V5990 [0,2,0,0,0,0|1,0,0]=3 168 B6R0.1 CNCC(C)OC 1691AF [0,2,0,0,0,0|2,0,0]=4 169 B6R0.1 COC(=O)CCN 5700AB [0,2,0,0,0,0|1,0,0]=3 170 B6R0.1 CSC\C(N)=N\O 8012AC [0,2,0,0,0,0|1,0,1]=4 171 B6R0.1 N\C(CCO)=N/O 5078AE [0,2,0,0,0,0|1,0,1]=4 172 B6R0.1 OCC[C@@H](O)CO W7968 [0,2,0,0,0,0|0,0,2]=4 173 B6R0.1 O[C@H](CBr)CCBr 9809AB [0,2,0,0,0,0|1,0,1]=4 174 B6R0.2 CC(=O)CC(=O)[O-] 8151AL [0,2,0,0,0,0|0,0,1]=3 175 B6R0.2 CC(=O)SC(C)=O 7216AF [0,2,0,0,0,0|1,0,1]=4 176 B6R0.2 CC(C)CC(C)Br 3157AB [0,2,0,0,0,0|1,0,1]=4 177 B6R0.2 CC(C)CC(C)C 7809AF [0,2,0,0,0,0|1,0,1]=4 178 B6R0.2 CC(O)C[N+](=O)[O-] 0004AE [0,2,0,0,0,0|1,0,0]=3 179 B6R0.2 CN(C)CC(=O)[O-] 9593AA [0,2,0,0,0,0|1,0,0]=3 180 B6R0.2 CN(C)NC(N)=O 4373AL [0,2,0,0,0,0|2,0,0]=4 181 B6R0.2 C[C@H](Br)CC(=O)O V0016 [0,2,0,0,0,0|0,0,0]=2 182 B6R0.2 NC(=O)CC(=O)O 1571AB [0,2,0,0,0,0|1,0,1]=4 183 B6R0.3 C=C(CBr)C(=O)O 1795AL [0,2,0,0,0,0|1,0,1]=4 184 B6R0.3 CC(=O)C(N)CO 6844AC [0,2,0,0,0,0|1,0,0]=3 185 B6R0.3 CC(C)C(O)C#N 4772AD [0,2,0,0,0,0|1,0,1]=4 186 B6R0.3 CC(C)[C@H](N)CO 8725AA [0,2,0,0,0,0|0,0,2]=4 187 B6R0.3 CC(CS)C(=O)O Y3236 [0,2,0,0,0,0|1,0,0]=3 188 B6R0.3 CCC(Br)C(N)=O 5224AE [0,2,0,0,0,0|0,0,0]=2 189 B6R0.3 CCC(C)C(C)=O U423 [0,2,0,0,0,0|0,0,0]=2 190 B6R0.3 CCC(C)C(C)C 5239AL [0,2,0,0,0,0|1,0,1]=4 191 B6R0.3 CCC(O)C(=O)[O-] 8154AL [0,2,0,0,0,0|0,0,0]=2 192 B6R0.3 CCC(S)C(C)=O 9471AJ [0,2,0,0,0,0|0,0,0]=2 193 B6R0.3 CCN(C)C(=N)N 8784AC [0,2,0,0,0,0|2,0,0]=4 194 B6R0.3 CC[C@@H](C)C(=O)O 1204AL [0,2,0,0,0,0|0,0,0]=2 195 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [0,2,0,0,0,0|0,0,0]=2 196 B6R0.3 CC[C@@H](Cl)C(=O)O 4152AL [0,2,0,0,0,0|0,0,0]=2 197 B6R0.3 CC[C@H](Cl)C(=O)O Z6043 [0,2,0,0,0,0|0,0,0]=2 198 B6R0.3 CN[C@H](C)C(=O)O Z5607 [0,2,0,0,0,0|1,0,0]=3 199 B6R0.3 CSC(C)C(=O)O 6148AE [0,2,0,0,0,0|1,0,0]=3 200 B6R0.3 CSC(C)C(C)=O 6125AL [0,2,0,0,0,0|1,0,0]=3 201 B6R0.3 C[C@@H](CN)C(=O)O 5862AB [0,2,0,0,0,0|1,0,0]=3 202 B6R0.3 C\C=C(/C)C(C)=O 6105AL [0,2,0,0,0,0|0,0,2]=4 203 B6R0.3 C\C=C(\C)C(=O)O 8382AJ [0,2,0,0,0,0|0,0,2]=4 204 B6R0.3 NC(=O)C(Br)CBr 5213AL [0,2,0,0,0,0|1,0,0]=3 205 B6R0.3 NC(=O)C(N)CO 2131AB [0,2,0,0,0,0|1,0,0]=3 206 B6R0.3 NC[C@H](N)C(=O)O 0179AB [0,2,0,0,0,0|1,0,0]=3 207 B6R0.3 N[C@@H](CCl)C(=O)O Z5908 [0,2,0,0,0,0|1,0,0]=3 208 B6R0.3 N[C@@H](CO)C(=O)O Z6084 [0,2,0,0,0,0|1,0,0]=3 209 B6R0.3 N[C@H](CCl)C(=O)O 5119AB [0,2,0,0,0,0|1,0,0]=3 210 B6R0.3 O=C(O)C(Br)CF 0454AQ [0,2,0,0,0,0|1,0,0]=3 211 B6R0.3 O=C(O)C(Cl)CO 0455AQ [0,2,0,0,0,0|1,0,0]=3 212 B6R0.3 O=C(O)C(O)CCl 2399AL [0,2,0,0,0,0|1,0,0]=3 213 B6R0.3 O=C([O-])C(O)CO 7310AL [0,2,0,0,0,0|1,0,0]=3 214 B6R0.4 C#CCCC(=O)[O-] 4056AH [0,2,0,0,0,0|0,0,1]=3 215 B6R0.4 C#CCNC(C)=O 3665AL [0,2,0,0,0,0|0,0,2]=4 216 B6R0.4 C#CCNC(N)=O W6702 [0,2,0,0,0,0|0,0,2]=4 217 B6R0.4 C=C(C)CCCC 5699AL [0,2,0,0,0,0|1,0,0]=3 218 B6R0.4 C=CCCC(=C)C 5696AL [0,2,0,0,0,0|1,0,0]=3 219 B6R0.4 C=CCCC(C)C 6791AL [0,2,0,0,0,0|1,0,0]=3 220 B6R0.4 C=CCOC(N)=O 0515AQ [0,2,0,0,0,0|0,0,2]=4 221 B6R0.4 CC(=O)CCCBr W5938 [0,2,0,0,0,0|0,0,0]=2 222 B6R0.4 CC(=O)NCCCl W8163 [0,2,0,0,0,0|1,0,0]=3 223 B6R0.4 CC(=O)OCCCl 7237AF [0,2,0,0,0,0|1,0,0]=3 224 B6R0.4 CC(=O)SCC#N 6370AE [0,2,0,0,0,0|1,0,1]=4 225 B6R0.4 CC(=O)SCCN 5884AD [0,2,0,0,0,0|1,0,0]=3 226 B6R0.4 CC(C)CCCCl 6814AE [0,2,0,0,0,0|1,0,1]=4 227 B6R0.4 CC(C)NCC#N Y7768 [0,2,0,0,0,0|1,0,1]=4 228 B6R0.4 CC(C)NCCCl 9576AB [0,2,0,0,0,0|1,0,1]=4 229 B6R0.4 CC(C)SCCCl 3252AE [0,2,0,0,0,0|1,0,1]=4 230 B6R0.4 CCCC=C(C)C 5704AL [0,2,0,0,0,0|1,0,0]=3 231 B6R0.4 CCCCC(=O)Br 7391AF [0,2,0,0,0,0|0,0,0]=2 232 B6R0.4 CCCCC(C)Br 5535AL [0,2,0,0,0,0|1,0,1]=4 233 B6R0.4 CCCCC(C)C 5734AL [0,2,0,0,0,0|1,0,1]=4 234 B6R0.4 CCCCC(C)Cl 5578AL [0,2,0,0,0,0|1,0,1]=4 235 B6R0.4 CCCCC(C)N 7573AF [0,2,0,0,0,0|1,0,1]=4 236 B6R0.4 CCCCC(C)O 9467AB [0,2,0,0,0,0|0,0,2]=4 237 B6R0.4 CCCO[N+](=O)[O-] X5340 [0,2,0,0,0,0|1,0,0]=3 238 B6R0.4 CCOCC(C)N 0535AD [0,2,0,0,0,0|1,0,1]=4 239 B6R0.4 CC\C=C\C(=O)O 6805AA [0,2,0,0,0,0|0,0,1]=3 240 B6R0.4 CSCCC(=O)Cl 6126AL [0,2,0,0,0,0|0,0,0]=2 241 B6R0.4 C\C=C\CC(C)C 6798AL [0,2,0,0,0,0|1,0,0]=3 242 B6R0.4 FC(F)=CCCBr 4541AD [0,2,0,0,0,0|1,0,1]=4 243 B6R0.4 N#CCNC(N)=O X4454 [0,2,0,0,0,0|1,0,1]=4 244 B6R0.4 O=C(O)C#CCO 1204AC [0,2,0,0,0,0|0,0,2]=4 245 B6R0.5 C=CCC(C)(C)C 6312AL [0,2,0,0,0,0|1,0,0]=3 246 B6R0.5 C=COC(C)(C)C 9102AJ [0,2,0,0,0,0|2,0,0]=4 247 B6R0.5 CC(C)(C)CC#N X4017 [0,2,0,0,0,0|1,0,1]=4 248 B6R0.5 CC(C)(O)CCCl 0206AB [0,2,0,0,0,0|1,0,1]=4 249 B6R0.5 CCNS(=O)(=O)O 4020AE [0,2,0,0,0,0|2,0,0]=4 250 B6R0.5 CCOS(=O)(=O)[O-] 6863AF [0,2,0,0,0,0|2,0,0]=4 251 B6R0.5 CNCC(C)(C)C 0063AE [0,2,0,0,0,0|2,0,0]=4 252 B6R0.5 COCC(C)(C)N Y8196 [0,2,0,0,0,0|2,0,0]=4 253 B6R0.5 CS(=O)(=O)CCBr 5490AJ [0,2,0,0,0,0|2,0,0]=4 254 B6R0.5 O=P(O)(O)CCBr 7025AC [0,2,0,0,0,0|2,0,0]=4 255 B6R0.5 O=S(=O)(Cl)CCBr 5489AJ [0,2,0,0,0,0|2,0,0]=4 256 B6R0.6 C#CCNCC=C 9621AC [0,2,0,0,0,0|1,0,1]=4 257 B6R0.6 C=CCCCC#N 6777AL [0,2,0,0,0,0|1,0,0]=3 258 B6R0.6 C=CCCCCI 0232AQ [0,2,0,0,0,0|1,0,0]=3 259 B6R0.6 C=CCCN=C=S 8120AL [0,2,0,0,0,0|1,0,1]=4 260 B6R0.6 C=CCC\C=C\C 4658AL [0,2,0,0,0,0|1,0,0]=3 261 B6R0.6 C=CCNCC=C 6733AE [0,2,0,0,0,0|1,0,1]=4 262 B6R0.6 C=CCOCC=C 7030AL [0,2,0,0,0,0|1,0,1]=4 263 B6R0.6 C=CCSCCC R577 [0,2,0,0,0,0|1,0,0]=3 264 B6R0.6 C=COCCCN 0206AC [0,2,0,0,0,0|1,0,0]=3 265 B6R0.6 CC#CCCCC 5638AL [0,2,0,0,0,0|1,0,1]=4 266 B6R0.6 CC=C=CCCO 1076AQ [0,2,0,0,0,0|1,0,1]=4 267 B6R0.6 CCCCCSC 7567AF [0,2,0,0,0,0|0,1,1]=4 268 B6R0.6 CCCCOCC 7302AL [0,2,0,0,0,0|0,0,2]=4 269 B6R0.6 CCCOCCC 7558AF [0,2,0,0,0,0|1,0,1]=4 270 B6R0.6 CCCSCCC 7569AF [0,2,0,0,0,0|1,0,1]=4 271 B6R0.6 CCC\C=C/CO 7423AL [0,2,0,0,0,0|0,0,1]=3 272 B6R0.6 CCOCCNC 5385AD [0,2,0,0,0,0|1,0,1]=4 273 B6R0.6 CC\C=C\CCC 9219AL [0,2,0,0,0,0|1,0,0]=3 274 B6R0.6 CNCCCOC V6596 [0,2,0,0,0,0|0,0,2]=4 275 B6R0.6 COCCN=C=O 3069AE [0,2,0,0,0,0|0,0,1]=3 276 B6R0.6 C\C=C/CCCC 7422AL [0,2,0,0,0,0|1,0,0]=3 277 B6R0.6 C\C=C/CCCCl 7455AL [0,2,0,0,0,0|1,0,0]=3 278 B6R0.6 C\C=C\CCCC 7780AF [0,2,0,0,0,0|1,0,0]=3 279 B6R0.6 C\C=C\SCCC U946 [0,2,0,0,0,0|1,0,0]=3 280 B6R0.6 NCCNCCCl 8169AB [0,2,0,0,0,0|1,0,1]=4 281 B6R0.6 NCCOCCN 1537AL [0,2,0,0,0,0|1,0,1]=4 282 B6R0.6 NCCSCCN K553 [0,2,0,0,0,0|1,0,1]=4 283 B6R0.6 NCCSCCO 8189AD [0,2,0,0,0,0|0,0,2]=4 284 B6R0.6 S=C=NCCCBr 9053AD [0,2,0,0,0,0|0,1,1]=4 285 B6R0.6 SCCSCCS Q406 [0,2,0,0,0,0|0,1,1]=4 286 B6R0.8 CCC(C)(N)CC 1117AE [0,2,0,0,0,0|1,0,1]=4 287 B6R0.8 CCC(C)(O)C#N 5636AB [0,2,0,0,0,0|1,0,1]=4 288 B6R0.9 CCC(CC)NC 7289AJ [0,2,0,0,0,0|1,0,1]=4 289 B6R0.9 CCC(CC)NN 1078AD [0,2,0,0,0,0|1,0,1]=4 290 B6R0.9 CCC(CN)OC 8133AC [0,2,0,0,0,0|1,0,1]=4 291 B6R0.9 CCC(CN)OC X2088 [0,2,0,0,0,0|1,0,1]=4 292 B6R0.9 CCC(CO)OC 5682AL [0,2,0,0,0,0|0,0,2]=4 293 B6R0.9 CCC(OC)OC 8873AL [0,2,0,0,0,0|2,0,0]=4 294 B6R0.9 O=CC(C=O)C=O 1725AJ [0,2,0,0,0,0|1,0,1]=4 295 B4R1.1 C1CSC1 7055AF [1,0,0,1,0,0|0,1,0]=3 296 B4R1.2 C[C@H]1CN1 1289AL [1,0,0,1,0,0|1,0,0]=3 297 B6R1.2 CC1=CCCC1 9313AJ [0,1,0,1,0,0|1,0,0]=3 298 B6R1.2 CC1=CCCO1 0728AQ [0,1,0,1,0,0|0,0,2]=4 299 B6R1.2 CC1=NNCC1 6440AD [0,1,0,1,0,0|2,0,0]=4 300 B6R1.2 CC1CCCN1 0591AQ [0,1,0,1,0,0|1,0,1]=4 301 B6R1.2 CC1CCCS1 7972AJ [0,1,0,1,0,0|0,1,1]=4 302 B6R1.2 CC1CCNC1 X9461 [0,1,0,1,0,0|1,0,1]=4 303 B6R1.2 CC1CCOC1 6124AL [0,1,0,1,0,0|0,0,2]=4 304 B6R1.2 CC1COCO1 6593AL [0,1,0,1,0,0|0,0,2]=4 305 B6R1.2 CC1OCCO1 7260AF [0,1,0,1,0,0|0,0,2]=4 306 B6R1.2 C[C@@H]1CCCN1 V2030 [0,1,0,1,0,0|1,0,1]=4 307 B6R1.2 ClC1=CCCC1 9304AJ [0,1,0,1,0,0|1,0,0]=3 308 B6R1.2 FC1CCCC1 7941AL [0,1,0,1,0,0|1,0,1]=4 309 B6R1.2 FC1CCNC1 W3697 [0,1,0,1,0,0|1,0,1]=4 310 B6R1.2 FC1CCNC1 X9172 [0,1,0,1,0,0|1,0,1]=4 311 B6R1.2 F[C@H]1CCNC1 9169AH [0,1,0,1,0,0|1,0,1]=4 312 B6R1.2 NC1=NCCO1 5489AL [0,1,0,1,0,0|1,0,1]=4 313 B6R1.2 NC1CCOC1 W9158 [0,1,0,1,0,0|0,0,2]=4 314 B6R1.2 NN1CCCC1 8436AA [0,1,0,1,0,0|1,0,1]=4 315 B6R1.2 N[C@H]1CCNC1 N118 [0,1,0,1,0,0|1,0,1]=4 316 B6R1.2 N[C@H]1CCOC1 W4304 [0,1,0,1,0,0|0,0,2]=4 317 B6R1.2 O=C1C=CCN1 V5771 [0,1,0,1,0,0|0,0,2]=4 318 B6R1.2 O=C1C=CCS1 1311AQ [0,1,0,1,0,0|0,0,2]=4 319 B6R1.2 OC1CNOC1 0177AF [0,1,0,1,0,0|1,0,1]=4 320 B6R1.2 O[C@H]1CCSC1 Y1948 [0,1,0,1,0,0|0,0,2]=4 321 B6R1.2 S=C1NCCO1 1519AL [0,1,0,1,0,0|1,0,1]=4 322 B6R1.3 BrCCC1CC1 8486AH [0,1,0,1,0,0|1,0,1]=4 323 B6R1.3 CCCC1CO1 4468AL [0,1,0,1,0,0|0,0,2]=4 324 B6R1.3 CCNC1CC1 2347AB [0,1,0,1,0,0|1,0,1]=4 325 B6R1.3 CCNC1CC1 3977AJ [0,1,0,1,0,0|1,0,1]=4 326 B6R1.3 COC[C@@H]1CO1 9238AJ [0,1,0,1,0,0|0,0,2]=4 327 B6R1.3 COC[C@H]1CO1 9221AJ [0,1,0,1,0,0|0,0,2]=4 328 B6R1.3 CONC1CC1 Z3770 [0,1,0,1,0,0|1,0,1]=4 329 B6R1.3 ICCC1CC1 8514AH [0,1,0,1,0,0|1,0,1]=4 330 B6R1.3 NNCC1CC1 4780AJ [0,1,0,1,0,0|1,0,1]=4 331 B6R1.3 O=C=NC1CC1 X4805 [0,1,0,1,0,0|0,0,1]=3 332 B6R1.5 CN1CC(N)C1 6718AC [0,1,0,1,0,0|2,0,0]=4 333 B6R1.5 CN1CC(O)C1 8767AC [0,1,0,1,0,0|2,0,0]=4 334 B6R1.5 NC1CC(O)C1 3558AA [0,1,0,1,0,0|0,0,2]=4 335 B6R1.5 NC1CC(O)C1 Z3827 [0,1,0,1,0,0|0,0,2]=4 336 B6R1.10 O=S1(=O)CCC1 V6677 [0,1,0,1,0,0|1,0,0]=3 337 B6R1.11 CC(=O)C1CO1 3696AE [0,1,0,1,0,0|1,0,0]=3 338 B6R1.11 O=C(O)C1CN1 7766AB [0,1,0,1,0,0|1,0,0]=3 339 B6R1.1 C1=NCCCN1 0674AQ [0,1,0,1,0,0|1,0,0]=3 340 B6R1.1 C1CCONC1 9605AH [0,1,0,1,0,0|0,0,2]=4 341 B6R1.1 C1COCCO1 7285AL [0,1,0,1,0,0|0,0,2]=4 342 B6R1.1 C1CSCCN1 8883AB [0,1,0,1,0,0|0,1,1]=4 343 B6R1.6 CNC1CNC1 1896AB [0,1,0,1,0,0|2,0,0]=4 344 B6R1.6 COC1CNC1 Y5064 [0,1,0,1,0,0|2,0,0]=4 345 B6R1.6 ClCC1COC1 2027AJ [0,1,0,1,0,0|1,0,1]=4 346 B6R1.6 NCC1CCN1 0858AA [0,1,0,1,0,0|1,0,1]=4 347 B6R1.6 NCC1CCN1 6521AH [0,1,0,1,0,0|1,0,1]=4 348 B6R1.6 NCC1CCO1 V8594 [0,1,0,1,0,0|0,0,2]=4 349 B6R1.6 NCC1CNC1 2747AA [0,1,0,1,0,0|1,0,1]=4 350 B6R1.6 NCC1COC1 W7450 [0,1,0,1,0,0|1,0,1]=4 351 B6R1.6 NNC1CCC1 3961AJ [0,1,0,1,0,0|1,0,1]=4 352 B6R1.6 O=CC1COC1 5573AA [0,1,0,1,0,0|0,0,0]=2 353 B6R1.7 N#CC1(Br)CC1 9789AL [0,1,0,1,0,0|1,0,1]=4