0 B5R0.2 C#CCCC#C X3713 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.2 C#CCCCBr 9466AL [0,0,0,0,0,0|2,0,1]=3 2 B5R0.2 C#CCCCI 0230AQ [0,0,0,0,0,0|2,0,1]=3 3 B5R0.2 C=CCCCN 7616AH [0,0,0,0,0,0|1,0,1]=2 4 B5R0.2 C=CCOCC 5601AE [0,0,0,0,0,0|3,0,1]=4 5 B5R0.2 C=CCSSC 7031AL [0,0,0,0,0,0|2,0,1]=3 6 B5R0.2 C=CC\C=C/C 0307AQ [0,0,0,0,0,0|2,0,2]=4 7 B5R0.2 CC#CCCO 6150AL [0,0,0,0,0,0|2,0,1]=3 8 B5R0.2 CCCCOC 7303AL [0,0,0,0,0,0|1,1,0]=2 9 B5R0.2 CCCNCC 8554AL [0,0,0,0,0,0|3,0,0]=3 10 B5R0.2 CCCOCC 7892AL [0,0,0,0,0,0|3,0,0]=3 11 B5R0.2 CCCOCCl 4494AB [0,0,0,0,0,0|3,0,0]=3 12 B5R0.2 CCCSCC R576 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.2 CCC\C=N\O 7272AF [0,0,0,0,0,0|3,0,1]=4 14 B5R0.2 CCOCCN 3903AD [0,0,0,0,0,0|2,0,0]=2 15 B5R0.2 CC[Se][Se]CC 7651AL [0,0,0,0,0,0|4,0,0]=4 16 B5R0.2 COCCCI 9890AH [0,0,0,0,0,0|1,1,0]=2 17 B5R0.2 COCN=C=S 6701AD [0,0,0,0,0,0|2,1,1]=4 18 B5R0.2 CSCCC#N 5452AE [0,0,0,0,0,0|0,0,2]=2 19 B5R0.2 ClCCOCCl 7247AA [0,0,0,0,0,0|4,0,0]=4 20 B5R0.2 NC\C=C/CCl 3552AH [0,0,0,0,0,0|2,0,2]=4 21 B5R0.2 NC\C=C/CN Z2171 [0,0,0,0,0,0|2,0,2]=4 22 B5R0.2 NOC\C=C\Cl 6798AC [0,0,0,0,0,0|3,0,1]=4 23 B5R0.2 [C-]#[N+]CCOC V5938 [0,0,0,0,0,0|2,1,0]=3 24 B4R0.2 C#CCON 4433AJ [1,0,0,0,0,0|1,0,2]=4 25 B4R0.2 CCC=NO 0148AQ [1,0,0,0,0,0|2,0,1]=4 26 B4R0.2 CCCCF 8004AD [1,0,0,0,0,0|1,0,0]=2 27 B4R0.2 CCCNN 4415AE [1,0,0,0,0,0|1,0,0]=2 28 B4R0.2 CCCOC 4896AL [1,0,0,0,0,0|0,1,0]=2 29 B4R0.2 CCCON 6597AE [1,0,0,0,0,0|1,0,0]=2 30 B4R0.2 CCCSC U677 [1,0,0,0,0,0|0,0,0]=1 31 B4R0.2 CCSCC E138 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.2 CNCC#N 8258AL [1,0,0,0,0,0|1,0,2]=4 33 B4R0.2 CSCCBr Y1764 [1,0,0,0,0,0|1,0,0]=2 34 B4R0.2 C\C=C/CC 7428AL [1,0,0,0,0,0|1,0,1]=3 35 B4R0.2 N#CCCS 0102AP [1,0,0,0,0,0|0,0,2]=3 36 B4R0.2 NCCON 6473AB [1,0,0,0,0,0|1,1,0]=3 37 B4R0.2 NCCON 7871AA [1,0,0,0,0,0|1,1,0]=3 38 B6R0.1 C#CC(O)CCC X7102 [0,1,0,0,0,0|2,0,1]=4 39 B6R0.1 C#CCC(O)CC 6781AL [0,1,0,0,0,0|2,0,1]=4 40 B6R0.1 C=CC(C)CCC 6092AL [0,1,0,0,0,0|2,0,1]=4 41 B6R0.1 CCC(=O)CSC K829 [0,1,0,0,0,0|1,0,1]=3 42 B6R0.1 CCC(O)CNN 2943AE [0,1,0,0,0,0|2,0,0]=3 43 B6R0.1 CCCC(=O)SC 8847AJ [0,1,0,0,0,0|1,0,1]=3 44 B6R0.1 CCCC(Br)CC 3975AB [0,1,0,0,0,0|2,0,0]=3 45 B6R0.1 CCCC(C)CC 7810AF [0,1,0,0,0,0|2,0,0]=3 46 B6R0.1 CCCC(C)CO 1207AA [0,1,0,0,0,0|2,0,0]=3 47 B6R0.1 CCCC(O)CC 7557AF [0,1,0,0,0,0|2,0,0]=3 48 B6R0.1 CCC[C@@H](N)CO 2554AC [0,1,0,0,0,0|2,0,0]=3 49 B6R0.1 CCNC(=O)CN 8793AD [0,1,0,0,0,0|2,0,1]=4 50 B6R0.1 CCNC(C)CC 7145AD [0,1,0,0,0,0|3,0,0]=4 51 B6R0.1 CCNC(C)CO 8218AD [0,1,0,0,0,0|3,0,0]=4 52 B6R0.1 CCOC(C)CC 8956AL [0,1,0,0,0,0|3,0,0]=4 53 B6R0.1 CCOC(C)CN 0082AD [0,1,0,0,0,0|2,0,0]=3 54 B6R0.1 CC[C@H](C)CCO 4202AL [0,1,0,0,0,0|2,0,0]=3 55 B6R0.1 CNC(=O)CCCl 2983AE [0,1,0,0,0,0|2,0,1]=4 56 B6R0.1 CNC(=O)CCO 8079AE [0,1,0,0,0,0|2,0,1]=4 57 B6R0.1 CNC(C)CCO 8891AD [0,1,0,0,0,0|2,0,0]=3 58 B6R0.1 CNCC(C)OC 1691AF [0,1,0,0,0,0|2,1,0]=4 59 B6R0.1 COC(=O)CCN 5700AB [0,1,0,0,0,0|0,1,1]=3 60 B6R0.1 CSC\C(N)=N\O 8012AC [0,1,0,0,0,0|2,0,1]=4 61 B6R0.1 OCC[C@@H](O)CO W7968 [0,1,0,0,0,0|3,0,0]=4 62 B6R0.1 O[C@H](CBr)CCBr 9809AB [0,1,0,0,0,0|3,0,0]=4 63 B6R0.4 C=C(C)CCCC 5699AL [0,1,0,0,0,0|2,0,0]=3 64 B6R0.4 C=CCCC(=C)C 5696AL [0,1,0,0,0,0|2,0,1]=4 65 B6R0.4 C=CCCC(C)C 6791AL [0,1,0,0,0,0|2,0,1]=4 66 B6R0.4 CC(=O)CCCBr W5938 [0,1,0,0,0,0|2,0,0]=3 67 B6R0.4 CC(=O)NCCCl W8163 [0,1,0,0,0,0|3,0,0]=4 68 B6R0.4 CC(=O)OCCCl 7237AF [0,1,0,0,0,0|3,0,0]=4 69 B6R0.4 CC(=O)SCCN 5884AD [0,1,0,0,0,0|2,0,0]=3 70 B6R0.4 CC(C)CCCCl 6814AE [0,1,0,0,0,0|2,0,0]=3 71 B6R0.4 CC(C)NCCCl 9576AB [0,1,0,0,0,0|3,0,0]=4 72 B6R0.4 CC(C)SCCCl 3252AE [0,1,0,0,0,0|3,0,0]=4 73 B6R0.4 CCCC=C(C)C 5704AL [0,1,0,0,0,0|2,0,1]=4 74 B6R0.4 CCCCC(=O)Br 7391AF [0,1,0,0,0,0|2,0,1]=4 75 B6R0.4 CCCCC(C)Br 5535AL [0,1,0,0,0,0|2,0,0]=3 76 B6R0.4 CCCCC(C)C 5734AL [0,1,0,0,0,0|2,0,0]=3 77 B6R0.4 CCCCC(C)Cl 5578AL [0,1,0,0,0,0|2,0,0]=3 78 B6R0.4 CCCCC(C)N 7573AF [0,1,0,0,0,0|1,0,0]=2 79 B6R0.4 CCCCC(C)O 9467AB [0,1,0,0,0,0|2,0,0]=3 80 B6R0.4 CCOCC(C)N 0535AD [0,1,0,0,0,0|2,0,0]=3 81 B6R0.4 CSCCC(=O)Cl 6126AL [0,1,0,0,0,0|1,0,1]=3 82 B6R0.4 C\C=C\CC(C)C 6798AL [0,1,0,0,0,0|2,0,1]=4 83 B6R0.6 C=CCCCC#N 6777AL [0,1,0,0,0,0|1,0,2]=4 84 B6R0.6 C=CCCCCI 0232AQ [0,1,0,0,0,0|2,0,1]=4 85 B6R0.6 C=CCC\C=C\C 4658AL [0,1,0,0,0,0|2,0,1]=4 86 B6R0.6 C=CCSCCC R577 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.6 C=COCCCN 0206AC [0,1,0,0,0,0|0,1,1]=3 88 B6R0.6 CC#CCCCC 5638AL [0,1,0,0,0,0|2,0,0]=3 89 B6R0.6 CC=C=CCCO 1076AQ [0,1,0,0,0,0|2,0,1]=4 90 B6R0.6 CCCCCSC 7567AF [0,1,0,0,0,0|1,0,0]=2 91 B6R0.6 CCCCOCC 7302AL [0,1,0,0,0,0|1,1,0]=3 92 B6R0.6 CCCOCCC 7558AF [0,1,0,0,0,0|2,0,0]=3 93 B6R0.6 CCCSCCC 7569AF [0,1,0,0,0,0|2,0,0]=3 94 B6R0.6 CCC\C=C/CO 7423AL [0,1,0,0,0,0|2,0,1]=4 95 B6R0.6 CCOCCNC 5385AD [0,1,0,0,0,0|2,0,0]=3 96 B6R0.6 CC\C=C\CCC 9219AL [0,1,0,0,0,0|2,0,1]=4 97 B6R0.6 CNCCCOC V6596 [0,1,0,0,0,0|0,1,0]=2 98 B6R0.6 COCCN=C=O 3069AE [0,1,0,0,0,0|1,1,1]=4 99 B6R0.6 C\C=C/CCCC 7422AL [0,1,0,0,0,0|2,0,0]=3 100 B6R0.6 C\C=C/CCCCl 7455AL [0,1,0,0,0,0|2,0,0]=3 101 B6R0.6 C\C=C\CCCC 7780AF [0,1,0,0,0,0|2,0,0]=3 102 B6R0.6 C\C=C\SCCC U946 [0,1,0,0,0,0|2,0,1]=4 103 B6R0.6 NCCNCCCl 8169AB [0,1,0,0,0,0|2,0,0]=3 104 B6R0.6 NCCOCCN 1537AL [0,1,0,0,0,0|2,0,0]=3 105 B6R0.6 NCCSCCN K553 [0,1,0,0,0,0|2,0,0]=3 106 B6R0.6 NCCSCCO 8189AD [0,1,0,0,0,0|2,0,0]=3 107 B6R0.6 S=C=NCCCBr 9053AD [0,1,0,0,0,0|2,0,1]=4 108 B6R0.6 SCCSCCS Q406 [0,1,0,0,0,0|3,0,0]=4 109 B6R1.1 C1=NCCCN1 0674AQ [0,0,0,1,0,0|1,0,1]=3 110 B6R1.1 C1CCONC1 9605AH [0,0,0,1,0,0|2,0,0]=3 111 B6R1.1 C1COCCO1 7285AL [0,0,0,1,0,0|2,1,0]=4 112 B6R1.1 C1CSCCN1 8883AB [0,0,0,1,0,0|2,0,0]=3 113 B6R1.2 CC1=CCCC1 9313AJ [0,0,0,1,0,0|2,0,0]=3 114 B6R1.2 CC1=CCCO1 0728AQ [0,0,0,1,0,0|2,0,1]=4 115 B6R1.2 CC1=NNCC1 6440AD [0,0,0,1,0,0|2,0,1]=4 116 B6R1.2 CC1CCCN1 0591AQ [0,0,0,1,0,0|1,0,0]=2 117 B6R1.2 CC1CCCS1 7972AJ [0,0,0,1,0,0|2,0,0]=3 118 B6R1.2 CC1CCNC1 X9461 [0,0,0,1,0,0|2,0,0]=3 119 B6R1.2 CC1CCOC1 6124AL [0,0,0,1,0,0|1,1,0]=3 120 B6R1.2 CC1COCO1 6593AL [0,0,0,1,0,0|2,1,0]=4 121 B6R1.2 CC1OCCO1 7260AF [0,0,0,1,0,0|3,0,0]=4 122 B6R1.2 C[C@@H]1CCCN1 V2030 [0,0,0,1,0,0|1,0,0]=2 123 B6R1.2 ClC1=CCCC1 9304AJ [0,0,0,1,0,0|3,0,0]=4 124 B6R1.2 FC1CCCC1 7941AL [0,0,0,1,0,0|2,0,0]=3 125 B6R1.2 FC1CCNC1 W3697 [0,0,0,1,0,0|2,0,0]=3 126 B6R1.2 FC1CCNC1 X9172 [0,0,0,1,0,0|2,0,0]=3 127 B6R1.2 F[C@H]1CCNC1 9169AH [0,0,0,1,0,0|2,0,0]=3 128 B6R1.2 NC1CCOC1 W9158 [0,0,0,1,0,0|0,1,0]=2 129 B6R1.2 NN1CCCC1 8436AA [0,0,0,1,0,0|2,0,0]=3 130 B6R1.2 N[C@H]1CCNC1 N118 [0,0,0,1,0,0|1,0,0]=2 131 B6R1.2 N[C@H]1CCOC1 W4304 [0,0,0,1,0,0|0,1,0]=2 132 B6R1.2 OC1CNOC1 0177AF [0,0,0,1,0,0|2,1,0]=4 133 B6R1.2 O[C@H]1CCSC1 Y1948 [0,0,0,1,0,0|1,0,0]=2 134 B6R1.2 S=C1NCCO1 1519AL [0,0,0,1,0,0|3,0,0]=4 135 B6R1.3 BrCCC1CC1 8486AH [0,0,0,1,0,0|2,0,0]=3 136 B6R1.3 CCCC1CO1 4468AL [0,0,0,1,0,0|1,1,0]=3 137 B6R1.3 CCNC1CC1 2347AB [0,0,0,1,0,0|3,0,0]=4 138 B6R1.3 CCNC1CC1 3977AJ [0,0,0,1,0,0|3,0,0]=4 139 B6R1.3 COC[C@@H]1CO1 9238AJ [0,0,0,1,0,0|1,1,0]=3 140 B6R1.3 COC[C@H]1CO1 9221AJ [0,0,0,1,0,0|1,1,0]=3 141 B6R1.3 CONC1CC1 Z3770 [0,0,0,1,0,0|2,1,0]=4 142 B6R1.3 ICCC1CC1 8514AH [0,0,0,1,0,0|2,0,0]=3 143 B6R1.3 NNCC1CC1 4780AJ [0,0,0,1,0,0|2,0,0]=3 144 B6R1.6 CNC1CNC1 1896AB [0,0,0,1,0,0|3,0,0]=4 145 B6R1.6 COC1CNC1 Y5064 [0,0,0,1,0,0|2,1,0]=4 146 B6R1.6 ClCC1COC1 2027AJ [0,0,0,1,0,0|1,1,0]=3 147 B6R1.6 NCC1CCN1 0858AA [0,0,0,1,0,0|2,0,0]=3 148 B6R1.6 NCC1CCN1 6521AH [0,0,0,1,0,0|2,0,0]=3 149 B6R1.6 NCC1CCO1 V8594 [0,0,0,1,0,0|2,0,0]=3 150 B6R1.6 NCC1CNC1 2747AA [0,0,0,1,0,0|1,0,0]=2 151 B6R1.6 NCC1COC1 W7450 [0,0,0,1,0,0|0,1,0]=2 152 B6R1.6 NNC1CCC1 3961AJ [0,0,0,1,0,0|2,0,0]=3 153 B6R1.6 O=CC1COC1 5573AA [0,0,0,1,0,0|1,1,1]=4 154 B3R0.1 CCCF 3973AE [2,0,0,0,0,0|1,0,0]=3 155 B3R0.1 NCCN 6791AA [2,0,0,0,0,0|1,0,0]=3 156 B3R0.1 NCCN 6876AF [2,0,0,0,0,0|1,0,0]=3 157 B3R0.1 NCCN 9393AJ [2,0,0,0,0,0|1,0,0]=3 158 B3R0.1 NCCN E395 [2,0,0,0,0,0|1,0,0]=3 159 B5R0.1 C#CCC(C)O 6664AL [1,1,0,0,0,0|1,0,1]=4 160 B5R0.1 C=C(C)CON 4430AJ [1,1,0,0,0,0|1,0,1]=4 161 B5R0.1 C=CCC(C)C 6595AL [1,1,0,0,0,0|1,0,1]=4 162 B5R0.1 C=CCC(C)O 7318AF [1,1,0,0,0,0|1,0,1]=4 163 B5R0.1 CC#CC(C)C 6601AL [1,1,0,0,0,0|1,0,1]=4 164 B5R0.1 CC(Br)CC#N 6005AL [1,1,0,0,0,0|0,0,2]=4 165 B5R0.1 CC(C)CCCl 7326AF [1,1,0,0,0,0|1,0,0]=3 166 B5R0.1 CC(O)CON 3604AB [1,1,0,0,0,0|1,0,0]=3 167 B5R0.1 CCC=C(C)C 7499AF [1,1,0,0,0,0|1,0,1]=4 168 B5R0.1 CCOC(C)C 7879AL [1,1,0,0,0,0|2,0,0]=4 169 B5R0.1 CCSC(=N)N 2034AH [1,1,0,0,0,0|1,0,1]=4 170 B5R0.1 CCSC(C)C 7880AL [1,1,0,0,0,0|2,0,0]=4 171 B5R0.1 CNCC(C)=O 4565AF [1,1,0,0,0,0|1,0,1]=4 172 B5R0.1 CNCC(C)C 8603AL [1,1,0,0,0,0|1,0,0]=3 173 B5R0.1 COCC(=N)N 1769AJ [1,1,0,0,0,0|0,1,1]=4 174 B5R0.1 COC[C@H](C)O W4988 [1,1,0,0,0,0|0,1,0]=3 175 B5R0.1 CSCC(=N)N 1816AJ [1,1,0,0,0,0|0,0,1]=3 176 B5R0.1 C[C@H](N)CCO 3502AC [1,1,0,0,0,0|0,1,0]=3 177 B5R0.1 C\C(Cl)=C\CN 9653AD [1,1,0,0,0,0|0,0,2]=4 178 B5R0.1 C\C=C\C(C)C 7501AF [1,1,0,0,0,0|1,0,1]=4 179 B5R0.1 NC(=O)CCO 8063AJ [1,1,0,0,0,0|0,1,1]=4 180 B5R0.3 C=C(SC)SC 4356AL [1,1,0,0,0,0|1,0,1]=4 181 B5R0.3 CC(CN)CN 1710AB [1,1,0,0,0,0|1,0,0]=3 182 B5R0.3 CC(CN)CO 0163AC [1,1,0,0,0,0|0,1,0]=3 183 B5R0.3 CCC(=O)CN X8894 [1,1,0,0,0,0|0,0,1]=3 184 B5R0.3 CCC(=O)CO X5132 [1,1,0,0,0,0|1,0,1]=4 185 B5R0.3 CCC(=S)OC R571 [1,1,0,0,0,0|0,1,1]=4 186 B5R0.3 CCC(C)CCl U282 [1,1,0,0,0,0|1,0,0]=3 187 B5R0.3 CCC(C)NN 9798AD [1,1,0,0,0,0|1,0,0]=3 188 B5R0.3 CCC(Cl)CCl 4449AL [1,1,0,0,0,0|1,0,0]=3 189 B5R0.3 CCC(O)C#N 7246AF [1,1,0,0,0,0|0,0,2]=4 190 B5R0.3 CCC(O)CBr 4766AL [1,1,0,0,0,0|1,0,0]=3 191 B5R0.3 CCC(S)CS 4441AL [1,1,0,0,0,0|1,0,0]=3 192 B5R0.3 CC[C@H](C)CCl 4194AL [1,1,0,0,0,0|1,0,0]=3 193 B5R0.3 CNC(=O)CN X2965 [1,1,0,0,0,0|1,0,1]=4 194 B5R0.3 C\C=C(/C)CC 0241AQ [1,1,0,0,0,0|1,0,1]=4 195 B5R0.3 C\C=C(/C)CC 9220AL [1,1,0,0,0,0|1,0,1]=4 196 B5R0.3 C\C=C(\C)CC 7440AL [1,1,0,0,0,0|1,0,1]=4 197 B5R0.3 FCC(Br)CBr 3889AE [1,1,0,0,0,0|2,0,0]=4 198 B7R0.2 C=C(C)CC(C)CC 5312AL [0,2,0,0,0,0|2,0,0]=4 199 B7R0.2 CC(CO)CN(C)C 0615AE [0,2,0,0,0,0|2,0,0]=4 200 B7R0.2 CCC(C)CC(C)C 5322AL [0,2,0,0,0,0|2,0,0]=4 201 B7R0.2 CN(C)CC(O)CCl 4719AE [0,2,0,0,0,0|2,0,0]=4 202 B7R0.2 CN(C)CC(O)CN V6256 [0,2,0,0,0,0|1,0,0]=3 203 B7R0.2 NCC(N)CC(=O)O 5843AA [0,2,0,0,0,0|2,0,0]=4 204 B7R0.3 C=C(CC)CCCC 5608AL [0,2,0,0,0,0|2,0,0]=4 205 B7R0.3 CC#CCC(O)CC 6775AL [0,2,0,0,0,0|2,0,0]=4 206 B7R0.3 CCC(=O)NCCN 3366AF [0,2,0,0,0,0|1,0,1]=4 207 B7R0.3 CCC(Cl)CCCCl 4475AE [0,2,0,0,0,0|2,0,0]=4 208 B7R0.3 CCCCC(C)CC 6251AE [0,2,0,0,0,0|2,0,0]=4 209 B7R0.3 CCCCC(O)CC 8762AB [0,2,0,0,0,0|2,0,0]=4 210 B7R0.3 CCCC[C@H](N)CO 7337AH [0,2,0,0,0,0|1,0,0]=3 211 B7R0.3 CCN(C)CCCO 4272AE [0,2,0,0,0,0|2,0,0]=4 212 B7R0.3 CCOCC(N)CC 8270AE [0,2,0,0,0,0|1,1,0]=4 213 B7R0.3 CCOCC(O)CN 1272AE [0,2,0,0,0,0|0,1,0]=3 214 B7R0.3 CC[C@H](C)CCCO 4203AL [0,2,0,0,0,0|2,0,0]=4 215 B7R0.3 CNC(=O)CCCN 5583AD [0,2,0,0,0,0|1,0,0]=3 216 B7R0.3 CNCCC(=O)NC 4515AE [0,2,0,0,0,0|1,0,1]=4 217 B7R0.3 CNCCC(=O)NC 5845AE [0,2,0,0,0,0|1,0,1]=4 218 B7R0.3 CNCCC(=O)OC 1857AB [0,2,0,0,0,0|0,1,1]=4 219 B7R0.3 CNCCC(=O)OC X3419 [0,2,0,0,0,0|0,1,1]=4 220 B7R0.3 COC(=N)CCCCl 2164AC [0,2,0,0,0,0|1,1,0]=4 221 B7R0.3 COC(=O)CCCS X9990 [0,2,0,0,0,0|1,1,0]=4 222 B7R0.3 COCC\C(N)=N/O 7855AE [0,2,0,0,0,0|0,1,1]=4 223 B7R0.3 COCO[C@@H](C)CO X7350 [0,2,0,0,0,0|1,1,0]=4 224 B7R0.3 CSCCC(N)CO 8517AA [0,2,0,0,0,0|0,0,0]=2 225 B7R0.5 CC(CCN)N(C)C 6615AE [0,2,0,0,0,0|1,0,0]=3 226 B7R0.5 CC(CCO)N(C)C 9228AD [0,2,0,0,0,0|2,0,0]=4 227 B7R0.5 CN(C)C(=O)CCN X4955 [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|1,1,0]=4 229 B7R0.5 NCCC(N)C(=O)O W7673 [0,2,0,0,0,0|2,0,0]=4 230 B7R0.5 NCC[C@@H](N)C(=O)O W5006 [0,2,0,0,0,0|2,0,0]=4 231 B7R0.5 NCC[C@H](N)C(=O)O 1360AC [0,2,0,0,0,0|2,0,0]=4 232 B7R0.7 CCCC(C)CCO 6091AL [0,2,0,0,0,0|2,0,0]=4 233 B7R0.7 CCCN(C)CCC 0883AE [0,2,0,0,0,0|2,0,0]=4 234 B7R0.7 CCC[C@H](N)CCO 0636AC [0,2,0,0,0,0|2,0,0]=4 235 B7R0.7 CCNC(=O)CCN 1836AD [0,2,0,0,0,0|1,0,1]=4 236 B7R0.10 CCC(C)C(C)CC 5907AL [0,2,0,0,0,0|2,0,0]=4 237 B7R0.10 COC(=O)C(O)CN 7006AJ [0,2,0,0,0,0|0,1,1]=4 238 B7R0.11 CCS(=O)(=O)CCN 5582AD [0,2,0,0,0,0|2,0,0]=4 239 B7R0.11 COC(C)(C)CCN 3408AD [0,2,0,0,0,0|0,1,0]=3 240 B7R0.11 COCC(C)(C)CN 9457AE [0,2,0,0,0,0|0,1,0]=3 241 B7R0.11 COCC(C)(C)CO Y5474 [0,2,0,0,0,0|1,1,0]=4 242 B7R0.12 COC(CCCl)OC 6016AL [0,2,0,0,0,0|1,1,0]=4 243 B7R0.4 C=C(C)CCCCC 5698AL [0,2,0,0,0,0|2,0,0]=4 244 B7R0.4 CC(=O)CCCC#N 6789AL [0,2,0,0,0,0|1,0,1]=4 245 B7R0.4 CC(=O)NCCCN V5818 [0,2,0,0,0,0|1,0,0]=3 246 B7R0.4 CC(=O)NCCCN V6432 [0,2,0,0,0,0|1,0,0]=3 247 B7R0.4 CC(=O)NCCCO 8280AC [0,2,0,0,0,0|2,0,0]=4 248 B7R0.4 CC(C)CCCCO 6988AE [0,2,0,0,0,0|2,0,0]=4 249 B7R0.4 CC(C)COCCN 0042AD [0,2,0,0,0,0|1,0,0]=3 250 B7R0.4 CC(C)CSCCO 5051AL [0,2,0,0,0,0|2,0,0]=4 251 B7R0.4 CC(C)OCCCCl U192 [0,2,0,0,0,0|1,1,0]=4 252 B7R0.4 CC(C)OCCCO 9315AD [0,2,0,0,0,0|1,1,0]=4 253 B7R0.4 CC(O)CNCCO 7542AE [0,2,0,0,0,0|2,0,0]=4 254 B7R0.4 CCCCCC(C)C 5733AL [0,2,0,0,0,0|2,0,0]=4 255 B7R0.4 CCCCCC(C)Cl 5577AL [0,2,0,0,0,0|2,0,0]=4 256 B7R0.4 CCCCNC(C)=O 7541AF [0,2,0,0,0,0|2,0,0]=4 257 B7R0.4 CCCCNC(C)C 2334AE [0,2,0,0,0,0|2,0,0]=4 258 B7R0.4 CCCCOC(Cl)Cl 7617AL [0,2,0,0,0,0|1,1,0]=4 259 B7R0.4 CCOCCC(C)=O 6489AL [0,2,0,0,0,0|2,0,0]=4 260 B7R0.4 CCSCCC(=O)O 8721AE [0,2,0,0,0,0|1,0,1]=4 261 B7R0.4 CN(C)CCCCN 1354AE [0,2,0,0,0,0|1,0,0]=3 262 B7R0.4 COCCN=C(N)N 8527AC [0,2,0,0,0,0|0,1,1]=4 263 B7R0.4 COCCNC(C)C 8018AC [0,2,0,0,0,0|1,1,0]=4 264 B7R0.4 COCCNC(N)=O V4427 [0,2,0,0,0,0|0,1,1]=4 265 B7R0.6 C=C(C)CCC(C)C 5371AL [0,2,0,0,0,0|2,0,0]=4 266 B7R0.6 CC(C)CCC(C)C 5381AL [0,2,0,0,0,0|2,0,0]=4 267 B7R0.6 C[C@H](O)CC[C@H](C)O 4119AB [0,2,0,0,0,0|2,0,0]=4 268 B7R0.8 CC(C)(C)SCCN 7714AD [0,2,0,0,0,0|2,0,0]=4 269 B7R0.8 CC(C)(O)CCCN 6321AJ [0,2,0,0,0,0|1,0,0]=3 270 B7R0.8 CCCCC(C)(C)C 5136AL [0,2,0,0,0,0|2,0,0]=4 271 B7R0.8 CCCC[Si](C)(C)Cl 8911AJ [0,2,0,0,0,0|2,0,0]=4 272 B7R0.8 CNCCC(C)(C)C 9066AC [0,2,0,0,0,0|2,0,0]=4 273 B7R0.8 CS(=O)(=O)CCCCl 7889AB [0,2,0,0,0,0|1,0,1]=4 274 B7R0.8 CS(=O)(=O)NCCN V7900 [0,2,0,0,0,0|1,0,1]=4 275 B7R0.8 C[Si](C)(C)CCCCl 0153AQ [0,2,0,0,0,0|2,0,0]=4 276 B7R0.1 C#CCNCCCC 3830AE [0,2,0,0,0,0|2,0,0]=4 277 B7R0.1 C=CCCCCCCl 5718AC [0,2,0,0,0,0|2,0,0]=4 278 B7R0.1 C=CCOCCCC 7029AL [0,2,0,0,0,0|1,1,0]=4 279 B7R0.1 CCC#CCCCC 7931AF [0,2,0,0,0,0|2,0,0]=4 280 B7R0.1 CCCCCC[Mg]Br 8700AJ [0,2,0,0,0,0|2,0,0]=4 281 B7R0.1 CCCCOCCCl 5574AL [0,2,0,0,0,0|1,1,0]=4 282 B7R0.1 CCCCOCCN 7133AE [0,2,0,0,0,0|1,0,0]=3 283 B7R0.1 CCCC\C=C\CO 9204AL [0,2,0,0,0,0|2,0,0]=4 284 B7R0.1 CCNCCOCC 2091AE [0,2,0,0,0,0|1,1,0]=4 285 B7R0.1 CC\C=C\CCCC 9221AL [0,2,0,0,0,0|2,0,0]=4 286 B7R0.1 COCCOCCI 0278AP [0,2,0,0,0,0|1,1,0]=4 287 B7R0.1 COCCOCCS 1037AQ [0,2,0,0,0,0|1,1,0]=4 288 B7R0.1 COCOCCC#N 5718AJ [0,2,0,0,0,0|0,1,1]=4 289 B7R0.1 C\C=C/CCCCC 7427AL [0,2,0,0,0,0|2,0,0]=4 290 B7R0.1 C\C=C\CCCCC 7960AF [0,2,0,0,0,0|2,0,0]=4 291 B7R0.1 N#CCCSCCO 4958AD [0,2,0,0,0,0|0,0,2]=4 292 B7R0.1 O=CCCCCCCl Y9332 [0,2,0,0,0,0|2,0,0]=4 293 B7R0.1 OCCCNCCO 2316AL [0,2,0,0,0,0|2,0,0]=4 294 B5R1.1 C1=NNCC1 5793AL [1,0,0,1,0,0|1,0,1]=4 295 B5R1.1 C1CNNC1 Z5309 [1,0,0,1,0,0|1,0,0]=3 296 B5R1.1 C1CNOC1 2460AE [1,0,0,1,0,0|0,1,0]=3 297 B5R1.1 C1CSCS1 0673AQ [1,0,0,1,0,0|1,0,0]=3 298 B5R1.2 C=C1CCC1 3599AL [1,0,0,1,0,0|1,0,1]=4 299 B5R1.2 IC1CNC1 2304AJ [1,0,0,1,0,0|2,0,0]=4 300 B5R1.2 NC1CSC1 V9418 [1,0,0,1,0,0|0,0,0]=2 301 B5R1.2 OC1CSC1 Z6583 [1,0,0,1,0,0|1,0,0]=3 302 B5R1.3 CNC1CC1 X4771 [1,0,0,1,0,0|1,0,0]=3 303 B5R1.3 FCC1CO1 1377AQ [1,0,0,1,0,0|1,1,0]=4 304 B5R1.3 OCC1CO1 Y6562 [1,0,0,1,0,0|1,1,0]=4 305 B5R1.3 [C-]#[N+]C1CC1 6101AE [1,0,0,1,0,0|1,0,1]=4 306 B5R1.4 N[C@@H]1C[C@H]1N 3501AB [1,0,0,1,0,0|1,0,0]=3 307 B7R1.1 BrCC1CCCN1 6324AA [0,1,0,1,0,0|1,0,0]=3 308 B7R1.1 BrCC1CCOC1 8390AA [0,1,0,1,0,0|1,1,0]=4 309 B7R1.1 C=CC1CCCC1 9406AL [0,1,0,1,0,0|2,0,0]=4 310 B7R1.1 CCC1CCCC1 7901AL [0,1,0,1,0,0|2,0,0]=4 311 B7R1.1 CCC1CCCN1 7143AC [0,1,0,1,0,0|1,0,0]=3 312 B7R1.1 CCC1CCNC1 9496AE [0,1,0,1,0,0|1,0,0]=3 313 B7R1.1 CCN1CCCC1 8555AL [0,1,0,1,0,0|2,0,0]=4 314 B7R1.1 CNC1CCNC1 2827AC [0,1,0,1,0,0|1,0,0]=3 315 B7R1.1 CNC1CCOC1 Z5570 [0,1,0,1,0,0|0,1,0]=3 316 B7R1.1 CN[C@@H]1CCNC1 X6025 [0,1,0,1,0,0|1,0,0]=3 317 B7R1.1 CN[C@@H]1CCOC1 2045AJ [0,1,0,1,0,0|0,1,0]=3 318 B7R1.1 CN[C@@H]1CCOC1 9048AH [0,1,0,1,0,0|0,1,0]=3 319 B7R1.1 COC1=NCCN1 2725AB [0,1,0,1,0,0|0,1,1]=4 320 B7R1.1 CSC1=NCCN1 1402AQ [0,1,0,1,0,0|0,0,1]=3 321 B7R1.1 CSC1=NCCS1 X2626 [0,1,0,1,0,0|0,0,2]=4 322 B7R1.1 ClC[C@@H]1CCCN1 9398AA [0,1,0,1,0,0|1,0,0]=3 323 B7R1.1 FC[C@@H]1CCCN1 1290AF [0,1,0,1,0,0|1,0,0]=3 324 B7R1.1 N#CC1CCNC1 Y6938 [0,1,0,1,0,0|1,0,1]=4 325 B7R1.1 N#CC1CCOC1 X2033 [0,1,0,1,0,0|0,1,1]=4 326 B7R1.1 N#C[C@H]1CCCN1 0400AC [0,1,0,1,0,0|1,0,1]=4 327 B7R1.1 NCC1CCCC1 3974AJ [0,1,0,1,0,0|1,0,0]=3 328 B7R1.1 NCC1CCCC1 3975AJ [0,1,0,1,0,0|1,0,0]=3 329 B7R1.1 NCC1CCNC1 0361AC [0,1,0,1,0,0|1,0,0]=3 330 B7R1.1 NCC1OCCO1 6055AB [0,1,0,1,0,0|2,0,0]=4 331 B7R1.1 NC[C@@H]1CCCN1 O008 [0,1,0,1,0,0|1,0,0]=3 332 B7R1.1 NC[C@H]1CCCN1 1217AC [0,1,0,1,0,0|1,0,0]=3 333 B7R1.1 NNC1CCCC1 9797AD [0,1,0,1,0,0|1,0,0]=3 334 B7R1.1 NNC1CCOC1 4448AJ [0,1,0,1,0,0|0,1,0]=3 335 B7R1.1 OCC1CCNC1 W6601 [0,1,0,1,0,0|2,0,0]=4 336 B7R1.1 [C-]#[N+]C1CCCC1 7534AL [0,1,0,1,0,0|1,0,1]=4 337 B7R1.2 CC1CCC(C)O1 Z5431 [0,1,0,1,0,0|2,0,0]=4 338 B7R1.2 CC1CNC(=O)C1 X7991 [0,1,0,1,0,0|2,0,0]=4 339 B7R1.2 CN1CCC(Br)C1 1332AA [0,1,0,1,0,0|2,0,0]=4 340 B7R1.2 CN1CC[C@H](N)C1 Y4288 [0,1,0,1,0,0|1,0,0]=3 341 B7R1.2 C[C@H]1C[C@H](O)CN1 1991AA [0,1,0,1,0,0|1,0,0]=3 342 B7R1.2 NC1CCC(O)C1 6561AA [0,1,0,1,0,0|1,0,0]=3 343 B7R1.2 NC1CNC(=O)C1 9509AL [0,1,0,1,0,0|1,0,1]=4 344 B7R1.2 N[C@H]1CC[C@@H](O)C1 5418AA [0,1,0,1,0,0|1,0,0]=3 345 B7R1.2 O=C1CCC(I)C1 3588AC [0,1,0,1,0,0|2,0,0]=4 346 B7R1.2 O=C1CCC(O)N1 W1140 [0,1,0,1,0,0|2,0,0]=4 347 B7R1.3 BrC1=CCSCC1 Z8895 [0,1,0,1,0,0|1,0,1]=4 348 B7R1.3 CC1C=CCCC1 6090AL [0,1,0,1,0,0|2,0,0]=4 349 B7R1.3 CC1CCCCN1 7117AB [0,1,0,1,0,0|1,0,0]=3 350 B7R1.3 CC1CCOCO1 8171AJ [0,1,0,1,0,0|1,1,0]=4 351 B7R1.3 CC1CNCCO1 8808AB [0,1,0,1,0,0|2,0,0]=4 352 B7R1.3 C[C@@H]1CCCNC1 Z4441 [0,1,0,1,0,0|1,0,0]=3 353 B7R1.3 FC1CCCCC1 1850AE [0,1,0,1,0,0|2,0,0]=4 354 B7R1.3 FC1CCCNC1 0816AQ [0,1,0,1,0,0|1,0,0]=3 355 B7R1.3 IC1CCNCC1 Z9919 [0,1,0,1,0,0|1,0,0]=3 356 B7R1.3 NC1CC=CCC1 3966AJ [0,1,0,1,0,0|1,0,0]=3 357 B7R1.3 NC1CCCOC1 0386AC [0,1,0,1,0,0|0,1,0]=3 358 B7R1.3 N[C@@H]1CCCNC1 X9699 [0,1,0,1,0,0|1,0,0]=3 359 B7R1.3 N[C@H]1CCCNC1 Y4134 [0,1,0,1,0,0|1,0,0]=3 360 B7R1.3 O=S1CCNCC1 V7654 [0,1,0,1,0,0|2,0,0]=4 361 B7R1.3 ON1CCCCC1 W6467 [0,1,0,1,0,0|1,0,0]=3 362 B7R1.3 S=C1NCCCS1 5563AE [0,1,0,1,0,0|0,0,1]=3 363 B7R1.4 BrC1CCCC1Br 1288AQ [0,1,0,1,0,0|2,0,0]=4 364 B7R1.4 BrC1CCCC1Br 3089AB [0,1,0,1,0,0|2,0,0]=4 365 B7R1.4 ClC1CCOC1Cl 5221AL [0,1,0,1,0,0|1,1,0]=4 366 B7R1.4 NC1COCC1O 5780AA [0,1,0,1,0,0|0,1,0]=3 367 B7R1.4 NC1COCC1O 7148AA [0,1,0,1,0,0|0,1,0]=3 368 B7R1.4 NC1CSCC1O 0027AD [0,1,0,1,0,0|0,0,0]=2 369 B7R1.4 NN1CCCC1=O 0452AB [0,1,0,1,0,0|2,0,0]=4 370 B7R1.4 N[C@@H]1COC[C@H]1O 8700AH [0,1,0,1,0,0|0,1,0]=3 371 B7R1.4 N[C@H]1CCC[C@@H]1O 5744AC [0,1,0,1,0,0|1,0,0]=3 372 B7R1.4 N[C@H]1CCNC1=O 8251AB [0,1,0,1,0,0|1,0,1]=4 373 B7R1.4 N[C@H]1COC[C@@H]1O 4688AJ [0,1,0,1,0,0|0,1,0]=3 374 B7R1.4 O=C1NCC[C@H]1O W8410 [0,1,0,1,0,0|2,0,0]=4 375 B7R1.4 O[C@H]1CCC[C@H]1O 0705AP [0,1,0,1,0,0|2,0,0]=4 376 B7R1.4 O[C@H]1CNC[C@@H]1O Z4539 [0,1,0,1,0,0|2,0,0]=4 377 B7R1.6 CCOC1CNC1 4280AC [0,1,0,1,0,0|2,0,0]=4 378 B7R1.6 CNCC1CCC1 3149AD [0,1,0,1,0,0|1,0,0]=3 379 B7R1.6 ClCCN1CCC1 2792AA [0,1,0,1,0,0|2,0,0]=4 380 B7R1.6 O=CCC1CCC1 0019AC [0,1,0,1,0,0|2,0,0]=4 381 B7R1.6 OCCN1CCC1 0462AC [0,1,0,1,0,0|2,0,0]=4 382 B7R1.10 C=C1CC(CN)C1 5243AD [0,1,0,1,0,0|1,0,0]=3 383 B7R1.10 CN1CC(CN)C1 8339AH [0,1,0,1,0,0|1,0,0]=3 384 B7R1.10 NC[C@H]1C[C@H](O)C1 2731AD [0,1,0,1,0,0|1,0,0]=3 385 B7R1.10 N[C@H]1C[C@@H](CO)C1 6981AA [0,1,0,1,0,0|2,0,0]=4 386 B7R1.10 O=C1CC(CCl)C1 2253AL [0,1,0,1,0,0|2,0,0]=4 387 B7R1.10 O=C1CC(CO)C1 9616AA [0,1,0,1,0,0|2,0,0]=4 388 B7R1.22 CCC(N)C1CC1 7479AD [0,1,0,1,0,0|2,0,0]=4 389 B7R1.22 NC(CO)C1CC1 X3745 [0,1,0,1,0,0|2,0,0]=4 390 B7R1.25 CC1(CCl)COC1 2252AL [0,1,0,1,0,0|1,1,0]=4 391 B7R1.25 CC1(CN)COC1 5827AA [0,1,0,1,0,0|0,1,0]=3 392 B7R1.25 NCC1(O)COC1 5575AA [0,1,0,1,0,0|0,1,0]=3 393 B7R1.7 CCNCC1CC1 8749AD [0,1,0,1,0,0|2,0,0]=4 394 B7R1.7 CCOCC1CO1 7875AL [0,1,0,1,0,0|1,1,0]=4 395 B7R1.14 CC1(C)CCNC1 2404AC [0,1,0,1,0,0|2,0,0]=4 396 B7R1.14 CC1(N)CCCC1 0991AQ [0,1,0,1,0,0|1,0,0]=3 397 B7R1.14 O=S1(=O)CCCN1 W7199 [0,1,0,1,0,0|1,0,1]=4 398 B7R1.18 N=C(N)C1CCC1 9638AJ [0,1,0,1,0,0|1,0,1]=4 399 B7R1.18 NC(=O)C1CCN1 Z9521 [0,1,0,1,0,0|2,0,0]=4 400 B7R1.18 NC(=O)C1CNC1 1496AC [0,1,0,1,0,0|1,0,1]=4 401 B7R1.18 NC(=O)C1CNC1 Z4019 [0,1,0,1,0,0|1,0,1]=4 402 B7R1.18 O=C(O)C1CCN1 0741AC [0,1,0,1,0,0|2,0,0]=4 403 B7R1.24 C1=CCCCCC1 7508AL [0,1,0,1,0,0|2,0,0]=4 404 B7R2.13 C1CC2CC2N1 1555AJ [0,0,0,2,0,0|1,0,0]=3 405 B7R2.13 C1NCC2CC12 Z1877 [0,0,0,2,0,0|1,0,0]=3