0 B6R0.1 C=CC(O)CCC I123 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.1 CC(CO)CCN 2620AL [0,0,0,0,0,0|1,0,2]=3 2 B6R0.1 CCC(O)COC 4893AL [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 CCCC(C)CCl 4812AL [0,0,0,0,0,0|1,0,1]=2 4 B6R0.1 CCC\C(N)=N\O 8990AD [0,0,0,0,0,0|2,0,2]=4 5 B6R0.1 C[C@@H](CO)CCN 4158AL [0,0,0,0,0,0|1,0,2]=3 6 B6R0.1 ClCC(Cl)CCBr 4770AL [0,0,0,0,0,0|3,0,1]=4 7 B6R0.1 OC(CCl)CCCl 4625AL [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 C#CCC(C)C 8172AJ [1,0,0,0,0,0|0,0,3]=4 9 B5R0.1 C=C(Br)CCO X2989 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.1 C=C(C)CCBr Z4377 [1,0,0,0,0,0|1,0,1]=3 11 B5R0.1 C=C(C)CCC 5700AL [1,0,0,0,0,0|0,0,1]=2 12 B5R0.1 CC(C)CCI X5313 [1,0,0,0,0,0|1,0,1]=3 13 B5R0.1 CC(C)CNN Z1645 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CC(N)CCO Z2685 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.1 CNCC(=O)O 9764AB [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 CNOC(C)=O 8699AL [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 COCC(C)=O U020 [1,0,0,0,0,0|1,0,1]=3 18 B5R0.1 COCC(C)N 0442AC [1,0,0,0,0,0|2,0,0]=3 19 B5R0.1 COC[C@@H](C)N W7467 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.1 CSCC(C)=O Y1373 [1,0,0,0,0,0|1,0,1]=3 21 B5R0.1 CSCS(C)=O E772 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.1 C[C@H](N)CCO W7371 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.1 NCCC(N)=O 6432AB [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 NCCS(=O)O 0301AQ [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 O=C(O)CCI 7031AF [1,0,0,0,0,0|2,0,1]=4 26 B5R0.2 C=CCCC=C 7447AF [1,0,0,0,0,0|1,0,2]=4 27 B5R0.2 C=CCCCN 2628AB [1,0,0,0,0,0|2,0,0]=3 28 B5R0.2 C=CCNC=O 5211AD [1,0,0,0,0,0|1,0,2]=4 29 B5R0.2 CC#CCCC 7448AF [1,0,0,0,0,0|1,0,2]=4 30 B5R0.2 CCCCON 7308AJ [1,0,0,0,0,0|2,0,0]=3 31 B5R0.2 CCCOC=O 8880AL [1,0,0,0,0,0|1,0,0]=2 32 B5R0.2 CCCSSC 8846AJ [1,0,0,0,0,0|3,0,0]=4 33 B5R0.2 CNCCSC 7146AJ [1,0,0,0,0,0|3,0,0]=4 34 B5R0.2 COCCNN 5901AC [1,0,0,0,0,0|3,0,0]=4 35 B5R0.2 N#CCCCBr B613 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.2 N#CCOC=O 7500AL [1,0,0,0,0,0|2,0,1]=4 37 B5R0.2 NCCCCBr 4038AB [1,0,0,0,0,0|2,0,1]=4 38 B5R0.2 NCCCCBr Z4484 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.2 NCCCCCl 9859AB [1,0,0,0,0,0|2,0,1]=4 40 B5R0.3 C=CC(C)C#N 5710AL [1,0,0,0,0,0|2,0,1]=4 41 B5R0.3 C=CC(C)CC 6094AL [1,0,0,0,0,0|1,0,0]=2 42 B5R0.3 C=CC(O)CC 7733AJ [1,0,0,0,0,0|2,0,0]=3 43 B5R0.3 C=CC(O)CO V0531 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.3 C=C[C@@H](N)CO 3384AB [1,0,0,0,0,0|3,0,0]=4 45 B5R0.3 C=C[C@H](N)CO W4532 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.3 CCC(C)C=O 7969AJ [1,0,0,0,0,0|0,0,0]=1 47 B5R0.3 CCC(C)CC 6117AL [1,0,0,0,0,0|1,0,1]=3 48 B5R0.3 CCC(C)CI 4886AL [1,0,0,0,0,0|1,0,1]=3 49 B5R0.3 CCC(C)NC 9511AE [1,0,0,0,0,0|2,0,0]=3 50 B5R0.3 CCC(C)NN 0007AD [1,0,0,0,0,0|2,0,0]=3 51 B5R0.3 CCC(O)CN 6349AA [1,0,0,0,0,0|2,0,1]=4 52 B5R0.3 CCN(C)CC 7490AH [1,0,0,0,0,0|2,0,1]=4 53 B5R0.3 CC[C@H](O)CO 1422AC [1,0,0,0,0,0|1,0,2]=4 54 B5R0.3 CON(C)C=O 3547AB [1,0,0,0,0,0|2,0,0]=3 55 B5R0.3 O=CC(O)CO 6635AH [1,0,0,0,0,0|2,0,0]=3 56 B7R0.2 CNC(C)CC(C)C 2627AF [0,1,0,0,0,0|2,0,0]=3 57 B7R0.2 C\C(CC(C)C)=N/O 6599AL [0,1,0,0,0,0|1,0,2]=4 58 B7R0.3 CCCCC(Br)CC 6006AL [0,1,0,0,0,0|2,0,1]=4 59 B7R0.3 CCCC[C@@H](N)CO V7833 [0,1,0,0,0,0|1,0,2]=4 60 B7R0.3 CCOCC(O)CCl 5717AB [0,1,0,0,0,0|2,0,1]=4 61 B7R0.3 OCCCC(O)CO 4412AL [0,1,0,0,0,0|1,0,2]=4 62 B7R0.5 C=CC[C@@H](N)C(=O)O 1695AA [0,1,0,0,0,0|1,0,2]=4 63 B7R0.5 CC(=O)N(C)CCO 4889AD [0,1,0,0,0,0|2,0,0]=3 64 B7R0.5 CC(NC=O)C(=O)O 6246AE [0,1,0,0,0,0|2,0,1]=4 65 B7R0.5 CCC[C@H](N)C(N)=O Z6420 [0,1,0,0,0,0|1,0,0]=2 66 B7R0.5 COCC(N)C(=O)O Z1926 [0,1,0,0,0,0|2,0,0]=3 67 B7R0.5 CSC[C@H](N)C(=O)O V1222 [0,1,0,0,0,0|2,0,0]=3 68 B7R0.5 NC(CCS)C(=O)O D600 [0,1,0,0,0,0|2,0,0]=3 69 B7R0.5 NCCC(N)C(=O)O X3169 [0,1,0,0,0,0|2,0,0]=3 70 B7R0.5 NCC[C@H](N)C(=O)O 0470AP [0,1,0,0,0,0|2,0,0]=3 71 B7R0.5 NCC[C@H](N)C(=O)O 7090AH [0,1,0,0,0,0|2,0,0]=3 72 B7R0.7 CCCC(C)CC=S U658 [0,1,0,0,0,0|0,1,0]=2 73 B7R0.7 CCCC(C)CCC 6609AL [0,1,0,0,0,0|1,0,1]=3 74 B7R0.7 CCCC(C)N=C=S 6786AD [0,1,0,0,0,0|0,1,1]=3 75 B7R0.7 CCCC(O)CCC 6512AL [0,1,0,0,0,0|2,0,1]=4 76 B7R0.7 CCCC(S)CCO U459 [0,1,0,0,0,0|1,0,2]=4 77 B7R0.7 CCNC(C)CCO 9482AE [0,1,0,0,0,0|1,0,2]=4 78 B7R0.7 CCOC(C)OCC U086 [0,1,0,0,0,0|2,0,1]=4 79 B7R0.7 COCC(C)N=C=S V5502 [0,1,0,0,0,0|1,1,1]=4 80 B7R0.10 CC[C@@H](C)[C@@H](N)CO G876 [0,1,0,0,0,0|1,0,2]=4 81 B7R0.12 CCN(CCO)N=O 8548AL [0,1,0,0,0,0|3,0,0]=4 82 B7R1.1 CNC1CCCC1 W8261 [0,0,0,1,0,0|2,0,0]=3 83 B7R1.1 CNC1CCCC1 Z4480 [0,0,0,1,0,0|2,0,0]=3 84 B7R1.1 COC1CCNC1 Z2737 [0,0,0,1,0,0|3,0,0]=4 85 B7R1.1 CO[C@@H]1CCNC1 Z4777 [0,0,0,1,0,0|3,0,0]=4 86 B7R1.1 CO[C@H]1CCNC1 Z5035 [0,0,0,1,0,0|3,0,0]=4 87 B7R1.1 ICC1CCOC1 3884AL [0,0,0,1,0,0|2,0,1]=4 88 B7R1.1 NCC1CCCC1 W7173 [0,0,0,1,0,0|1,0,1]=3 89 B7R1.1 NCC1CCCN1 W7106 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.1 NCC1CCCN1 W7375 [0,0,0,1,0,0|2,0,1]=4 91 B7R1.1 NC[C@@H]1CCCN1 0819AA [0,0,0,1,0,0|2,0,1]=4 92 B7R1.1 NC[C@H]1CCCN1 Z3950 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.1 NNC1CCCC1 W7612 [0,0,0,1,0,0|2,0,0]=3 94 B7R1.1 O=CC1=CCCC1 Z4945 [0,0,0,1,0,0|0,0,2]=3 95 B7R1.1 OC[C@@H]1CCNC1 4311AA [0,0,0,1,0,0|1,0,2]=4 96 B7R1.1 OC[C@@H]1CCNC1 Z7301 [0,0,0,1,0,0|1,0,2]=4 97 B7R1.1 OC[C@@H]1CCOC1 4598AA [0,0,0,1,0,0|1,0,2]=4 98 B7R1.1 OC[C@H]1CCNC1 1914AA [0,0,0,1,0,0|1,0,2]=4 99 B7R1.2 CC1C=CC(C)N1 Y9566 [0,0,0,1,0,0|2,0,0]=3 100 B7R1.3 BrC1CCCOC1 X9769 [0,0,0,1,0,0|1,0,2]=4 101 B7R1.3 CC1=CCCNC1 V9748 [0,0,0,1,0,0|2,0,1]=4 102 B7R1.3 CC1COCCN1 W6211 [0,0,0,1,0,0|1,0,2]=4 103 B7R1.3 C[C@@H]1CNCCO1 8974AH [0,0,0,1,0,0|2,0,1]=4 104 B7R1.3 C[C@@H]1CNCCO1 W3662 [0,0,0,1,0,0|2,0,1]=4 105 B7R1.3 C[C@@H]1COCCN1 X4857 [0,0,0,1,0,0|1,0,2]=4 106 B7R1.3 C[C@H]1CNCCO1 W8218 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.3 C[C@H]1COCCN1 X4748 [0,0,0,1,0,0|1,0,2]=4 108 B7R1.3 NC1CCCNC1 5237AE [0,0,0,1,0,0|2,0,1]=4 109 B7R1.3 NC1CCCOC1 X9447 [0,0,0,1,0,0|1,0,2]=4 110 B7R1.3 N[C@@H]1CCCOC1 5857AA [0,0,0,1,0,0|1,0,2]=4 111 B7R1.3 O[C@@H]1CCCNC1 9408AB [0,0,0,1,0,0|2,0,1]=4 112 B7R1.4 BrC1=C(Br)CCC1 U121 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.4 CC1CCNC1=O Y8455 [0,0,0,1,0,0|1,0,0]=2 114 B7R1.4 CC1CCOC1=O W3659 [0,0,0,1,0,0|1,0,0]=2 115 B7R1.4 CC1CSCC1=O 6972AB [0,0,0,1,0,0|1,0,0]=2 116 B7R1.4 CC1SCCC1=O 6512AA [0,0,0,1,0,0|1,0,0]=2 117 B7R1.4 CN1CCCC1=S 4914AL [0,0,0,1,0,0|1,1,0]=3 118 B7R1.4 CN1CCSC1=S 9921AA [0,0,0,1,0,0|2,1,0]=4 119 B7R1.4 CN1N=CCC1=O 0601AA [0,0,0,1,0,0|2,0,1]=4 120 B7R1.4 NC1CCCC1O W9232 [0,0,0,1,0,0|1,0,2]=4 121 B7R1.4 NC1CCNC1=O 0020AD [0,0,0,1,0,0|2,0,0]=3 122 B7R1.4 NC1CONC1=O Z5032 [0,0,0,1,0,0|3,0,0]=4 123 B7R1.4 N[C@@H]1CCC[C@@H]1O V0969 [0,0,0,1,0,0|1,0,2]=4 124 B7R1.4 N[C@@H]1CCC[C@H]1O V0968 [0,0,0,1,0,0|1,0,2]=4 125 B7R1.4 N[C@H]1CCC[C@H]1O V0971 [0,0,0,1,0,0|1,0,2]=4 126 B7R1.4 O=C1CCC=C1O X8732 [0,0,0,1,0,0|1,0,2]=4 127 B7R1.4 O=C1OCCC1O 0071AB [0,0,0,1,0,0|2,0,0]=3 128 B7R1.4 O=C1OCC[C@H]1O 8329AB [0,0,0,1,0,0|2,0,0]=3 129 B7R1.4 OC1CCCC1O 5008AJ [0,0,0,1,0,0|1,0,2]=4 130 B7R1.4 O[C@@H]1CCC[C@H]1O 6973AB [0,0,0,1,0,0|1,0,2]=4 131 B7R1.6 CCOC1CNC1 V6478 [0,0,0,1,0,0|2,0,1]=4 132 B7R1.6 COCC1CNC1 2582AD [0,0,0,1,0,0|2,0,1]=4 133 B7R1.6 COCC1CNC1 Z5376 [0,0,0,1,0,0|2,0,1]=4 134 B7R1.6 OCCC1COC1 1983AB [0,0,0,1,0,0|1,0,2]=4 135 B7R1.10 OCC1CC(Cl)C1 8034AA [0,0,0,1,0,0|1,0,2]=4 136 B7R1.25 CC1(C=O)COC1 6969AC [0,0,0,1,0,0|1,0,0]=2 137 B7R1.25 CC1(CI)COC1 Z7396 [0,0,0,1,0,0|2,0,1]=4 138 B7R1.25 CC1(CN)COC1 W3338 [0,0,0,1,0,0|2,0,1]=4 139 B7R1.25 CC1(CO)CSC1 5905AE [0,0,0,1,0,0|1,0,2]=4 140 B7R1.25 COC1(C)CNC1 5082AC [0,0,0,1,0,0|3,0,0]=4 141 B7R1.25 NCC1(O)CCC1 W3913 [0,0,0,1,0,0|2,0,1]=4 142 B4R0.1 C=CC(C)O 6444AE [2,0,0,0,0,0|2,0,0]=4 143 B4R0.1 CC(C)=CBr X6156 [2,0,0,0,0,0|1,0,1]=4 144 B4R0.1 CC(C)CN 8086AL [2,0,0,0,0,0|1,0,1]=4 145 B4R0.1 CC(O)CCl 7057AF [2,0,0,0,0,0|1,0,1]=4 146 B4R0.2 C=CCCC 7306AF [2,0,0,0,0,0|0,0,1]=3 147 B4R0.2 C=CCCN 2362AH [2,0,0,0,0,0|1,0,1]=4 148 B4R0.2 C=CSCC 7899AL [2,0,0,0,0,0|1,0,1]=4 149 B4R0.2 CCCC#N A365 [2,0,0,0,0,0|1,0,1]=4 150 B4R0.2 CCCCC 8942AJ [2,0,0,0,0,0|0,0,0]=2 151 B4R0.2 CCCCN 7306AL [2,0,0,0,0,0|1,0,0]=3 152 B4R0.2 CCCCS 4787AL [2,0,0,0,0,0|0,1,0]=3 153 B4R0.2 CCNCC 7648AL [2,0,0,0,0,0|1,0,0]=3 154 B4R0.2 CCNCC 7649AL [2,0,0,0,0,0|1,0,0]=3 155 B4R0.2 CCNCC 7650AL [2,0,0,0,0,0|1,0,0]=3 156 B4R0.2 CCOC=N M412 [2,0,0,0,0,0|2,0,0]=4 157 B4R0.2 CNCCN X9276 [2,0,0,0,0,0|2,0,0]=4 158 B4R0.2 CSCCO U461 [2,0,0,0,0,0|1,0,1]=4 159 B4R0.2 C\C=C\CC 7309AF [2,0,0,0,0,0|0,0,2]=4 160 B4R0.2 NCCCN 7173AL [2,0,0,0,0,0|2,0,0]=4 161 B4R0.2 NCCCO 5983AL [2,0,0,0,0,0|1,0,1]=4 162 B6R0.2 CC(=O)NC(C)C X8984 [1,1,0,0,0,0|1,0,1]=4 163 B6R0.2 CC(C)CC(C)N X3873 [1,1,0,0,0,0|0,0,1]=3 164 B6R0.2 CC(Cl)CC(=O)O 7238AF [1,1,0,0,0,0|1,0,1]=4 165 B6R0.2 CC(N)CC(=O)O 3162AL [1,1,0,0,0,0|1,0,1]=4 166 B6R0.2 CC(O)CC(C)O 5338AL [1,1,0,0,0,0|0,0,1]=3 167 B6R0.2 C[C@@H](N)CC(=O)O Z5926 [1,1,0,0,0,0|1,0,1]=4 168 B6R0.2 C[C@@H](O)C[C@@H](C)O 7396AJ [1,1,0,0,0,0|0,0,1]=3 169 B6R0.2 C[C@H](N)CC(=O)O W5861 [1,1,0,0,0,0|1,0,1]=4 170 B6R0.2 C[C@H](O)C[C@H](C)O 7398AJ [1,1,0,0,0,0|0,0,1]=3 171 B6R0.3 CC(O)C(O)CO 4398AL [1,1,0,0,0,0|1,0,1]=4 172 B6R0.3 CCC(=O)C(C)=O 7386AF [1,1,0,0,0,0|0,0,2]=4 173 B6R0.3 CCC(Br)C(=O)Cl 5533AL [1,1,0,0,0,0|1,0,1]=4 174 B6R0.3 CCC(Cl)C(=O)O 7236AF [1,1,0,0,0,0|1,0,1]=4 175 B6R0.3 CCC(O)C(=O)O Z2570 [1,1,0,0,0,0|1,0,1]=4 176 B6R0.3 CCC(O)C(C)C 8275AB [1,1,0,0,0,0|0,0,1]=3 177 B6R0.3 CC[C@H](N)C(N)=O V3235 [1,1,0,0,0,0|1,0,1]=4 178 B6R0.3 COC(C)C(C)O V6491 [1,1,0,0,0,0|1,0,1]=4 179 B6R0.3 C[C@H](O)[C@@H](N)CO W6337 [1,1,0,0,0,0|1,0,1]=4 180 B6R0.4 CC(Br)CCCBr 9465AB [1,1,0,0,0,0|1,0,0]=3 181 B6R0.4 CC(C)SCCN 3448AF [1,1,0,0,0,0|1,0,1]=4 182 B6R0.4 CC(O)CCCO 1536AL [1,1,0,0,0,0|0,0,1]=3 183 B6R0.4 CCC#CC(C)=O 6057AL [1,1,0,0,0,0|0,0,2]=4 184 B6R0.4 CCCNC(N)=O P685 [1,1,0,0,0,0|1,0,1]=4 185 B6R0.4 CCCOC(N)=O 9471AB [1,1,0,0,0,0|1,0,1]=4 186 B6R0.4 CCCSC(C)=O R568 [1,1,0,0,0,0|0,0,1]=3 187 B6R0.4 CCCSC(C)C 8111AL [1,1,0,0,0,0|0,0,1]=3 188 B6R0.4 CCNCC(=O)O X5133 [1,1,0,0,0,0|1,0,1]=4 189 B6R0.4 CN(C)CCCBr W7153 [1,1,0,0,0,0|1,0,1]=4 190 B6R0.4 CSCCC(C)=O L760 [1,1,0,0,0,0|0,0,1]=3 191 B6R0.4 NC(=O)CCCCl Y1653 [1,1,0,0,0,0|1,0,1]=4 192 B6R0.4 NCCCC(N)=O 5556AA [1,1,0,0,0,0|1,0,1]=4 193 B6R0.4 O=[N+]([O-])CCCO V2307 [1,1,0,0,0,0|2,0,0]=4 194 B6R0.5 CC(C)(N)CCO 3154AE [1,1,0,0,0,0|1,0,1]=4 195 B6R0.5 CC(C)(O)CCBr W5746 [1,1,0,0,0,0|1,0,1]=4 196 B6R0.5 CCCC(C)(C)C 5139AL [1,1,0,0,0,0|0,0,1]=3 197 B6R0.5 CCCC(C)(C)O 5708AL [1,1,0,0,0,0|0,0,1]=3 198 B6R0.5 CCCS(N)(=O)=O 1771AB [1,1,0,0,0,0|2,0,0]=4 199 B6R0.5 CCC[Si](C)(C)Cl 8662AL [1,1,0,0,0,0|0,1,1]=4 200 B6R0.5 CCOC(C)(C)C 7559AF [1,1,0,0,0,0|1,0,1]=4 201 B6R0.5 CNCC(C)(C)O 1773AJ [1,1,0,0,0,0|1,0,1]=4 202 B6R0.5 COCC(C)(C)O 1642AL [1,1,0,0,0,0|1,0,1]=4 203 B6R0.5 CS(=O)(=O)CCCl 4525AE [1,1,0,0,0,0|2,0,0]=4 204 B6R0.6 C#CCCCCBr 0285AC [1,1,0,0,0,0|1,0,1]=4 205 B6R0.6 C#CCCCCCl Z1919 [1,1,0,0,0,0|1,0,1]=4 206 B6R0.6 C#CCCCCI 1166AQ [1,1,0,0,0,0|1,0,1]=4 207 B6R0.6 C=CCCCCCl X6224 [1,1,0,0,0,0|1,0,0]=3 208 B6R0.6 CCCCSCC 7568AF [1,1,0,0,0,0|1,0,1]=4 209 B6R0.6 CCCNCCO 8316AA [1,1,0,0,0,0|0,0,2]=4 210 B6R0.6 CNCCCCO 5794AB [1,1,0,0,0,0|0,0,2]=4 211 B6R0.6 C\C=C/CCCO 7448AL [1,1,0,0,0,0|1,0,1]=4 212 B6R0.6 SCCCCCS 7344AF [1,1,0,0,0,0|0,1,1]=4 213 B6R0.8 C#CC(C)(N)CC X8885 [1,1,0,0,0,0|1,0,1]=4 214 B6R0.8 CCC(C)(N)C#N Z4767 [1,1,0,0,0,0|1,0,1]=4 215 B6R0.8 O=CC(Br)(Br)CBr 2470AB [1,1,0,0,0,0|2,0,0]=4 216 B6R0.9 CC=C(CC)CC 6043AL [1,1,0,0,0,0|1,0,1]=4 217 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O E108 [0,2,0,0,0,0|1,0,0]=3 218 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O 9212AJ [0,2,0,0,0,0|1,0,0]=3 219 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O V8168 [0,2,0,0,0,0|1,0,0]=3 220 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O X5876 [0,2,0,0,0,0|1,0,0]=3 221 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O 5707AB [0,2,0,0,0,0|2,0,0]=4 222 B8R0.19 CCC(C)CC(O)CC 7996AF [0,2,0,0,0,0|1,0,1]=4 223 B8R0.19 CCC(C)SC(C)CC 8003AF [0,2,0,0,0,0|1,0,1]=4 224 B8R0.19 COC(=O)CN(C)C=O V7303 [0,2,0,0,0,0|1,0,1]=4 225 B8R0.23 CC(C)CC(=O)C(=O)[O-] 5986AC [0,2,0,0,0,0|1,0,1]=4 226 B8R0.23 CC(C)CC(Br)C(=O)O X2075 [0,2,0,0,0,0|1,0,0]=3 227 B8R0.23 CC(C)CC(N)C(N)=O 4981AH [0,2,0,0,0,0|1,0,0]=3 228 B8R0.23 CC(C)CC(O)C(=O)O C466 [0,2,0,0,0,0|1,0,0]=3 229 B8R0.23 CC(C)C[C@@H](N)C(N)=O V7838 [0,2,0,0,0,0|1,0,0]=3 230 B8R0.23 CC(C)C[C@@H](O)C(=O)O V4198 [0,2,0,0,0,0|1,0,0]=3 231 B8R0.23 CC(C)C[C@H](Cl)C(=O)O Z6036 [0,2,0,0,0,0|1,0,0]=3 232 B8R0.23 C[C@@H](CC(=O)O)C(=O)O V1342 [0,2,0,0,0,0|1,0,1]=4 233 B8R0.3 C#CC(O)C(C)CCC 1144AQ [0,2,0,0,0,0|0,0,2]=4 234 B8R0.3 CCCC(=O)C(=O)OC 8222AL [0,2,0,0,0,0|1,0,1]=4 235 B8R0.3 CCOC(C)C(=O)NN 8100AC [0,2,0,0,0,0|1,0,0]=3 236 B8R0.3 COC(=O)C(C)CCCl 4098AD [0,2,0,0,0,0|1,0,0]=3 237 B8R0.3 COC(=O)[C@H](C)NC=O 7006AH [0,2,0,0,0,0|1,0,1]=4 238 B8R0.8 C#CCC[C@H](N)C(=O)O 0450AP [0,2,0,0,0,0|1,0,1]=4 239 B8R0.8 C=CCSC(C)C(=O)O 5401AE [0,2,0,0,0,0|0,0,2]=4 240 B8R0.8 CCCCC(C)C(C)=O 1634AB [0,2,0,0,0,0|0,0,0]=2 241 B8R0.8 CCCCC(O)C(=O)O 3592AH [0,2,0,0,0,0|1,0,0]=3 242 B8R0.8 CCCC[C@H](N)C(N)=O 7287AH [0,2,0,0,0,0|1,0,0]=3 243 B8R0.8 CCC\C=C(/C)C(=O)O 5705AL [0,2,0,0,0,0|0,0,1]=3 244 B8R0.8 CSCC[C@H](N)C(N)=O V1142 [0,2,0,0,0,0|1,0,0]=3 245 B8R0.8 NCCC[C@H](N)C(=O)O 8160AL [0,2,0,0,0,0|1,0,0]=3 246 B8R0.9 CN(C)CCN(C)C=O 3626AL [0,2,0,0,0,0|1,0,0]=3 247 B8R0.11 CCCCC(CC)CN 5628AL [0,2,0,0,0,0|1,0,1]=4 248 B8R0.11 CCC\C=C(\C=O)CC 5610AL [0,2,0,0,0,0|0,0,1]=3 249 B8R0.25 CC(C)(CO)CCCN 3910AD [0,2,0,0,0,0|0,0,2]=4 250 B8R0.12 CCOC(C)(C)C(=O)O 7496AA [0,2,0,0,0,0|1,0,0]=3 251 B8R0.15 CCC[C@H](NC)C(=O)O 6616AD [0,2,0,0,0,0|0,0,0]=2 252 B8R0.22 CCCC(C#N)CCC Y5013 [0,2,0,0,0,0|1,0,1]=4 253 B6R1.2 BrC1CCNC1 X9668 [1,0,0,1,0,0|2,0,0]=4 254 B6R1.2 BrC1CCOC1 W4135 [1,0,0,1,0,0|2,0,0]=4 255 B6R1.2 CC1CCCN1 2138AL [1,0,0,1,0,0|1,0,0]=3 256 B6R1.2 C[C@@H]1CCNC1 1585AB [1,0,0,1,0,0|1,0,1]=4 257 B6R1.2 C[C@H]1CCNC1 W4034 [1,0,0,1,0,0|1,0,1]=4 258 B6R1.2 ClC1CCCC1 H294 [1,0,0,1,0,0|1,0,0]=3 259 B6R1.2 ClC1CCOC1 X2032 [1,0,0,1,0,0|2,0,0]=4 260 B6R1.2 N[C@@H]1CCOC1 X8829 [1,0,0,1,0,0|2,0,0]=4 261 B6R1.2 O=S1CCCC1 X4814 [1,0,0,1,0,0|1,0,0]=3 262 B6R1.3 BrCCC1CO1 4719AJ [1,0,0,1,0,0|1,0,1]=4 263 B6R1.3 CNCC1CC1 X2042 [1,0,0,1,0,0|1,0,1]=4 264 B6R1.3 NCCC1CC1 4787AC [1,0,0,1,0,0|1,0,1]=4 265 B6R1.3 NCCC1CC1 9526AB [1,0,0,1,0,0|1,0,1]=4 266 B6R1.5 CC1CC(=O)O1 7160AL [1,0,0,1,0,0|1,0,1]=4 267 B6R1.5 NC1CC(O)C1 0869AA [1,0,0,1,0,0|1,0,1]=4 268 B6R1.5 NC1CC(O)C1 W6394 [1,0,0,1,0,0|1,0,1]=4 269 B6R1.5 O=C1CC(Br)C1 8034AD [1,0,0,1,0,0|1,0,1]=4 270 B6R1.10 CC1(C)CNC1 5732AJ [1,0,0,1,0,0|1,0,1]=4 271 B6R1.10 CC1(C)COC1 1326AQ [1,0,0,1,0,0|1,0,1]=4 272 B6R1.10 CC1(N)CCC1 9055AA [1,0,0,1,0,0|1,0,0]=3 273 B6R1.10 CC1(N)CCC1 X5278 [1,0,0,1,0,0|1,0,0]=3 274 B6R1.10 CC1(N)CSC1 3915AF [1,0,0,1,0,0|2,0,0]=4 275 B6R1.10 CC1(O)CNC1 2353AJ [1,0,0,1,0,0|1,0,1]=4 276 B6R1.10 CC1(O)CNC1 3115AD [1,0,0,1,0,0|1,0,1]=4 277 B6R1.10 CC1(O)COC1 8260AA [1,0,0,1,0,0|1,0,1]=4 278 B6R1.11 CC(N)C1CC1 3131AE [1,0,0,1,0,0|1,0,0]=3 279 B6R1.11 O=S([O-])C1CC1 V8957 [1,0,0,1,0,0|2,0,0]=4 280 B6R1.1 C1=CCNCC1 V3961 [1,0,0,1,0,0|2,0,0]=4 281 B6R1.1 C1=CCOCC1 X4947 [1,0,0,1,0,0|2,0,0]=4 282 B6R1.6 CNC1CCC1 4414AJ [1,0,0,1,0,0|2,0,0]=4 283 B6R1.6 NCC1CCC1 W6312 [1,0,0,1,0,0|1,0,1]=4 284 B6R1.6 NCC1CCC1 W6876 [1,0,0,1,0,0|1,0,1]=4 285 B6R1.6 NNC1CCC1 2537AA [1,0,0,1,0,0|2,0,0]=4 286 B6R1.6 NNC1CCC1 W3433 [1,0,0,1,0,0|2,0,0]=4 287 B6R1.7 CC1(CO)CC1 8973AD [1,0,0,1,0,0|0,0,2]=4 288 B8R1.1 CN1CCC(CO)C1 6863AB [0,1,0,1,0,0|0,0,2]=4 289 B8R1.1 CNC1CCN(C)C1 5528AA [0,1,0,1,0,0|2,0,0]=4 290 B8R1.4 CC1CC(=O)CCN1 6568AA [0,1,0,1,0,0|1,0,0]=3 291 B8R1.4 CC1CC(=O)CCO1 3309AA [0,1,0,1,0,0|1,0,0]=3 292 B8R1.4 CC1CC(O)CCO1 1817AJ [0,1,0,1,0,0|2,0,0]=4 293 B8R1.4 CC1CCCC(C)C1 4569AL [0,1,0,1,0,0|1,0,1]=4 294 B8R1.4 CC1CCNC(=N)C1 1356AH [0,1,0,1,0,0|2,0,0]=4 295 B8R1.4 CN1CCOC(=O)C1 9637AA [0,1,0,1,0,0|2,0,0]=4 296 B8R1.4 C[C@H]1CCC[C@@H](C)N1 9437AE [0,1,0,1,0,0|1,0,1]=4 297 B8R1.4 O=C1CC(O)CCN1 V1296 [0,1,0,1,0,0|2,0,0]=4 298 B8R1.4 O=C1C[C@@H](O)CCN1 W6428 [0,1,0,1,0,0|2,0,0]=4 299 B8R1.18 C=C1CC(C)OC1=O 7069AL [0,1,0,1,0,0|0,0,2]=4 300 B8R1.2 BrCC1CCNCC1 Z2771 [0,1,0,1,0,0|1,0,1]=4 301 B8R1.2 C#CC1CCCCN1 Y6045 [0,1,0,1,0,0|1,0,1]=4 302 B8R1.2 C#CC1CCCNC1 Y6534 [0,1,0,1,0,0|1,0,1]=4 303 B8R1.2 CCC1CCCCC1 8567AA [0,1,0,1,0,0|1,0,1]=4 304 B8R1.2 CCC1CCNCC1 0192AE [0,1,0,1,0,0|1,0,1]=4 305 B8R1.2 CNC1CCOCC1 5124AB [0,1,0,1,0,0|2,0,0]=4 306 B8R1.2 CNC1CCOCC1 W4553 [0,1,0,1,0,0|2,0,0]=4 307 B8R1.2 COC1CCNCC1 V5785 [0,1,0,1,0,0|2,0,0]=4 308 B8R1.2 FCC1CCCNC1 2978AD [0,1,0,1,0,0|1,0,1]=4 309 B8R1.2 ICC1CCCCC1 4784AJ [0,1,0,1,0,0|1,0,1]=4 310 B8R1.2 ICC1CCOCC1 Y6802 [0,1,0,1,0,0|1,0,1]=4 311 B8R1.2 N#CC1CCCNC1 W8644 [0,1,0,1,0,0|1,0,1]=4 312 B8R1.2 NCC1CCCCO1 V7179 [0,1,0,1,0,0|1,0,1]=4 313 B8R1.2 NCC1CCCNC1 U802 [0,1,0,1,0,0|1,0,1]=4 314 B8R1.2 NNC1CCCCC1 3658AF [0,1,0,1,0,0|2,0,0]=4 315 B8R1.2 NNC1CCOCC1 0074AB [0,1,0,1,0,0|2,0,0]=4 316 B8R1.2 NNC1CCOCC1 X9318 [0,1,0,1,0,0|2,0,0]=4 317 B8R1.2 NNC1CCOCC1 Z3438 [0,1,0,1,0,0|2,0,0]=4 318 B8R1.2 O=CC1=CCCOC1 Z4103 [0,1,0,1,0,0|0,0,2]=4 319 B8R1.2 O=CC1CCCOC1 2092AC [0,1,0,1,0,0|0,0,0]=2 320 B8R1.2 O=CC1CCOCC1 X4660 [0,1,0,1,0,0|0,0,0]=2 321 B8R1.2 OCC1CCNCC1 5626AH [0,1,0,1,0,0|0,0,2]=4 322 B8R1.2 OCC1CCSCC1 Y6767 [0,1,0,1,0,0|0,0,2]=4 323 B8R1.2 ONC1CCCCC1 1210AB [0,1,0,1,0,0|1,0,1]=4 324 B8R1.2 [C-]#[N+]C1CCCCC1 M219 [0,1,0,1,0,0|2,0,0]=4 325 B8R1.3 CC1CNC(C)CN1 X7143 [0,1,0,1,0,0|1,0,1]=4 326 B8R1.3 CC1COC(C)CN1 Z6902 [0,1,0,1,0,0|0,0,2]=4 327 B8R1.3 C[C@H]1CC[C@@H](N)CC1 3944AJ [0,1,0,1,0,0|1,0,1]=4 328 B8R1.5 CC1CCCNC1=O Y8918 [0,1,0,1,0,0|0,0,0]=2 329 B8R1.5 CC1CNCCC1=O W6393 [0,1,0,1,0,0|0,0,0]=2 330 B8R1.5 CC1CNCCN1C 9602AH [0,1,0,1,0,0|2,0,0]=4 331 B8R1.5 CC1COCCC1O 2365AJ [0,1,0,1,0,0|0,0,2]=4 332 B8R1.5 CC1SCCNC1=O 8229AE [0,1,0,1,0,0|1,0,0]=3 333 B8R1.5 CN1CCCNC1=O 7411AC [0,1,0,1,0,0|1,0,0]=3 334 B8R1.5 CN1CCNCC1=O 1842AA [0,1,0,1,0,0|1,0,0]=3 335 B8R1.5 CN1CCNCC1=O 6558AD [0,1,0,1,0,0|1,0,0]=3 336 B8R1.5 CN1CCNCC1=O X7943 [0,1,0,1,0,0|1,0,0]=3 337 B8R1.5 C[C@@H]1NCCNC1=O 2295AC [0,1,0,1,0,0|1,0,0]=3 338 B8R1.5 C[C@H]1CNCCN1C 6630AB [0,1,0,1,0,0|2,0,0]=4 339 B8R1.5 C[C@H]1CNCCN1C 9092AH [0,1,0,1,0,0|2,0,0]=4 340 B8R1.5 C[C@H]1NCCNC1=O 5574AC [0,1,0,1,0,0|1,0,0]=3 341 B8R1.5 N[C@@H]1CCCNC1=O 4809AJ [0,1,0,1,0,0|1,0,0]=3 342 B8R1.5 N[C@H]1CCCNC1=O 5871AB [0,1,0,1,0,0|1,0,0]=3 343 B8R1.5 O=C1NCCCC1O W4139 [0,1,0,1,0,0|1,0,0]=3 344 B8R1.50 CC1CCC(=O)C1=O 6795AA [0,1,0,1,0,0|0,0,1]=3 345 B8R1.50 CN1CCC(N)C1=O 0714AD [0,1,0,1,0,0|1,0,0]=3 346 B8R1.7 N=C(N)C1CCCC1 0061AF [0,1,0,1,0,0|1,0,0]=3 347 B8R1.7 NC(=O)C1CCCO1 5362AC [0,1,0,1,0,0|1,0,0]=3 348 B8R1.7 NC(=O)C1CCNC1 9876AB [0,1,0,1,0,0|1,0,0]=3 349 B8R1.7 O=C(Cl)N1CCCC1 0711AQ [0,1,0,1,0,0|1,0,0]=3 350 B8R1.7 O=C(O)C1CCNC1 W9737 [0,1,0,1,0,0|1,0,0]=3 351 B8R1.7 O=C(O)C1CSSC1 X3729 [0,1,0,1,0,0|2,0,0]=4 352 B8R1.7 O=C(O)C1NCCS1 W7647 [0,1,0,1,0,0|2,0,0]=4 353 B8R1.7 O=C(O)[C@@H]1CCNC1 1252AC [0,1,0,1,0,0|1,0,0]=3 354 B8R1.7 O=C(O)[C@H]1CCNC1 1251AC [0,1,0,1,0,0|1,0,0]=3 355 B8R1.7 O=C(O)[C@H]1CCNC1 X9011 [0,1,0,1,0,0|1,0,0]=3 356 B8R1.7 O=C(O)[C@H]1CSCN1 6272AB [0,1,0,1,0,0|2,0,0]=4 357 B8R1.19 CC1(C)CCNC1=O 4182AE [0,1,0,1,0,0|1,0,0]=3 358 B8R1.19 CC1CCOS1(=O)=O 6087AL [0,1,0,1,0,0|2,0,0]=4 359 B8R1.19 CN1CCCS1(=O)=O V7910 [0,1,0,1,0,0|2,0,0]=4 360 B8R1.23 C=C1CC(C(=O)O)C1 Y3237 [0,1,0,1,0,0|0,0,2]=4 361 B8R1.23 CC(=O)N1CC(O)C1 Z8057 [0,1,0,1,0,0|2,0,0]=4 362 B8R1.23 CC1CC(C(=O)O)C1 W7069 [0,1,0,1,0,0|0,0,0]=2 363 B8R1.23 O=C(O)C1CC(O)C1 W4156 [0,1,0,1,0,0|1,0,0]=3 364 B8R1.54 NC(C(=O)O)C1CC1 Z8573 [0,1,0,1,0,0|1,0,0]=3 365 B8R1.78 CC1(C(=O)O)CCC1 Z4598 [0,1,0,1,0,0|0,0,0]=2 366 B8R1.78 CC1(C(=O)O)COC1 X6392 [0,1,0,1,0,0|1,0,0]=3 367 B8R1.78 NC1(C(=O)O)CCC1 X3059 [0,1,0,1,0,0|1,0,0]=3 368 B8R1.78 NC1(C(=O)O)CCC1 X3158 [0,1,0,1,0,0|1,0,0]=3 369 B8R1.78 NC1(C(=O)O)COC1 V2874 [0,1,0,1,0,0|2,0,0]=4 370 B8R1.78 O=C(O)C1(O)CCC1 2903AE [0,1,0,1,0,0|1,0,0]=3 371 B8R1.8 N#CCC1CCCC1 5870AE [0,1,0,1,0,0|1,0,1]=4 372 B8R1.8 N#CSC1CCCC1 4959AE [0,1,0,1,0,0|1,0,1]=4 373 B8R1.8 NCCC1CCCC1 W7101 [0,1,0,1,0,0|1,0,1]=4 374 B8R1.8 NCCC1CCCC1 Z5033 [0,1,0,1,0,0|1,0,1]=4 375 B8R1.8 O=C=NC1CCCC1 4108AE [0,1,0,1,0,0|0,0,1]=3 376 B8R1.11 CCC1CCCC1=O 6742AB [0,1,0,1,0,0|0,0,0]=2 377 B8R1.11 CN1CCCC1CN X2049 [0,1,0,1,0,0|1,0,1]=4 378 B8R1.11 N#CC1CCCC1=O U935 [0,1,0,1,0,0|0,0,1]=3 379 B8R1.72 CC1(C)CCCNC1 Y8537 [0,1,0,1,0,0|1,0,1]=4 380 B8R1.72 CC1(Cl)CCCCC1 3529AF [0,1,0,1,0,0|1,0,1]=4 381 B8R1.72 CC1(N)CCCCC1 9931AH [0,1,0,1,0,0|1,0,1]=4 382 B8R1.72 CC1(O)CCCNC1 4087AE [0,1,0,1,0,0|1,0,1]=4 383 B8R1.60 CCC1(C=O)COC1 V9816 [0,1,0,1,0,0|1,0,0]=3 384 B8R1.60 NCC1(CO)CCC1 0468AB [0,1,0,1,0,0|0,0,2]=4 385 B8R1.60 OCC1(CO)CCC1 V5966 [0,1,0,1,0,0|0,0,2]=4 386 B8R2.34 C12CCC(CC1)C2 8648AL [0,0,0,2,0,0|1,0,1]=4 387 B8R2.34 C1CC2CC1CN2 Z4541 [0,0,0,2,0,0|1,0,1]=4