0 B5R0.2 C=CCCC=C 7447AF [0,0,0,0,0,0|1,0,3]=4 1 B5R0.2 C=CCCCN 2628AB [0,0,0,0,0,0|1,0,2]=3 2 B5R0.2 CC#CCCC 7448AF [0,0,0,0,0,0|1,0,2]=3 3 B5R0.2 CCCCON 7308AJ [0,0,0,0,0,0|2,0,0]=2 4 B5R0.2 CCCOC=O 8880AL [0,0,0,0,0,0|1,0,2]=3 5 B5R0.2 CCCSSC 8846AJ [0,0,0,0,0,0|3,0,0]=3 6 B5R0.2 CC\C=C/CC 7431AL [0,0,0,0,0,0|1,0,2]=3 7 B5R0.2 CC\C=C/CO 3214AL [0,0,0,0,0,0|0,0,2]=2 8 B5R0.2 CC\C=C\CC 3771AD [0,0,0,0,0,0|1,0,2]=3 9 B5R0.2 CNCCSC 7146AJ [0,0,0,0,0,0|3,0,0]=3 10 B5R0.2 COCCNN 5901AC [0,0,0,0,0,0|3,0,0]=3 11 B5R0.2 N#CCCCBr B613 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.2 NCCCCBr 4038AB [0,0,0,0,0,0|2,0,0]=2 13 B5R0.2 NCCCCBr Z4484 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.2 NCCCCCl 9859AB [0,0,0,0,0,0|2,0,0]=2 15 B5R0.2 OCCNCO 5459AL [0,0,0,0,0,0|2,0,0]=2 16 B5R0.2 S=C=NCCBr 4566AD [0,0,0,0,0,0|2,1,1]=4 17 B4R0.2 C#CCCI 6186AJ [1,0,0,0,0,0|1,0,2]=4 18 B4R0.2 C#CCCN 6476AH [1,0,0,0,0,0|1,0,2]=4 19 B4R0.2 C=CCCC 7306AF [1,0,0,0,0,0|0,0,2]=3 20 B4R0.2 C=CCCN 2362AH [1,0,0,0,0,0|1,0,2]=4 21 B4R0.2 C=CSCC 7899AL [1,0,0,0,0,0|1,0,2]=4 22 B4R0.2 CCC#CI 4805AL [1,0,0,0,0,0|1,0,2]=4 23 B4R0.2 CCCC#N A365 [1,0,0,0,0,0|1,0,1]=3 24 B4R0.2 CCCCC 8942AJ [1,0,0,0,0,0|0,0,0]=1 25 B4R0.2 CCCCN 7306AL [1,0,0,0,0,0|1,0,0]=2 26 B4R0.2 CCCCS 4787AL [1,0,0,0,0,0|0,1,0]=2 27 B4R0.2 CCNCC 7648AL [1,0,0,0,0,0|1,0,0]=2 28 B4R0.2 CCNCC 7649AL [1,0,0,0,0,0|1,0,0]=2 29 B4R0.2 CCNCC 7650AL [1,0,0,0,0,0|1,0,0]=2 30 B4R0.2 CCOC=N M412 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.2 CNCCN X9276 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.2 CO[Ca]OC 9618AJ [1,0,0,0,0,0|3,0,0]=4 33 B4R0.2 CSCCO U461 [1,0,0,0,0,0|1,0,0]=2 34 B4R0.2 CSSSC 8583AJ [1,0,0,0,0,0|3,0,0]=4 35 B4R0.2 C\C=C\CC 7309AF [1,0,0,0,0,0|0,0,2]=3 36 B4R0.2 C\C=C\OC 1641AL [1,0,0,0,0,0|1,0,2]=4 37 B4R0.2 ClCSCCl 7220AL [1,0,0,0,0,0|3,0,0]=4 38 B4R0.2 NCCCN 7173AL [1,0,0,0,0,0|2,0,0]=3 39 B4R0.2 NCCCO 5983AL [1,0,0,0,0,0|1,0,0]=2 40 B4R0.2 NCCON W5869 [1,0,0,0,0,0|3,0,0]=4 41 B4R0.2 NOCCO 5251AJ [1,0,0,0,0,0|2,0,0]=3 42 B6R0.1 C=CC(O)CCC I123 [0,1,0,0,0,0|1,0,1]=3 43 B6R0.1 CC(CO)CCN 2620AL [0,1,0,0,0,0|1,0,0]=2 44 B6R0.1 CCC(=O)CC#N 0486AE [0,1,0,0,0,0|1,0,2]=4 45 B6R0.1 CCC(C)N=C=O 4892AD [0,1,0,0,0,0|1,0,2]=4 46 B6R0.1 CCC(O)COC 4893AL [0,1,0,0,0,0|2,0,0]=3 47 B6R0.1 CCCC(C)CCl 4812AL [0,1,0,0,0,0|1,0,0]=2 48 B6R0.1 CCC\C(N)=N\O 8990AD [0,1,0,0,0,0|1,0,1]=3 49 B6R0.1 CCNC(=O)CC 8553AL [0,1,0,0,0,0|2,0,1]=4 50 B6R0.1 CCOC(=O)CI 7240AF [0,1,0,0,0,0|2,0,1]=4 51 B6R0.1 CCOC(=O)NO 6247AE [0,1,0,0,0,0|2,0,1]=4 52 B6R0.1 CNC(=O)CCN 4757AE [0,1,0,0,0,0|2,0,1]=4 53 B6R0.1 C[C@@H](CO)CCN 4158AL [0,1,0,0,0,0|1,0,0]=2 54 B6R0.1 ClCC(Cl)CCBr 4770AL [0,1,0,0,0,0|2,0,0]=3 55 B6R0.1 OC(CCl)CCCl 4625AL [0,1,0,0,0,0|2,0,0]=3 56 B6R0.4 C=CCCB(O)O X0762 [0,1,0,0,0,0|1,0,2]=4 57 B6R0.4 C=COCC(C)C 8720AJ [0,1,0,0,0,0|2,0,1]=4 58 B6R0.4 CC(Br)CCCBr 9465AB [0,1,0,0,0,0|1,0,0]=2 59 B6R0.4 CC(C)CN=C=O 6296AD [0,1,0,0,0,0|1,0,2]=4 60 B6R0.4 CC(C)SCCN 3448AF [0,1,0,0,0,0|2,0,0]=3 61 B6R0.4 CC(O)CCCO 1536AL [0,1,0,0,0,0|0,0,0]=1 62 B6R0.4 CCCCC(=N)N 1867AA [0,1,0,0,0,0|1,0,1]=3 63 B6R0.4 CCCCC(=N)N 9567AA [0,1,0,0,0,0|1,0,1]=3 64 B6R0.4 CCCNC(N)=O P685 [0,1,0,0,0,0|1,0,2]=4 65 B6R0.4 CCCOC(N)=O 9471AB [0,1,0,0,0,0|1,0,2]=4 66 B6R0.4 CCCSC(C)=O R568 [0,1,0,0,0,0|1,0,2]=4 67 B6R0.4 CCCSC(C)C 8111AL [0,1,0,0,0,0|2,0,0]=3 68 B6R0.4 CCNCC(=O)O X5133 [0,1,0,0,0,0|1,0,1]=3 69 B6R0.4 CN(C)CCCBr W7153 [0,1,0,0,0,0|2,0,0]=3 70 B6R0.4 CSCCC(C)=O L760 [0,1,0,0,0,0|1,0,2]=4 71 B6R0.4 N#CCCC(=O)O W3483 [0,1,0,0,0,0|1,0,2]=4 72 B6R0.4 NC(=O)CCCCl Y1653 [0,1,0,0,0,0|1,0,2]=4 73 B6R0.4 NCCCC(N)=O 5556AA [0,1,0,0,0,0|1,0,2]=4 74 B6R0.4 O=C([O-])CNCO 0872AC [0,1,0,0,0,0|2,0,1]=4 75 B6R0.4 O=[N+]([O-])CCCO V2307 [0,1,0,0,0,0|2,0,0]=3 76 B6R0.6 BrCC[NH2+]CCBr W6266 [0,1,0,0,0,0|2,0,0]=3 77 B6R0.6 C#CCCCC#C 4672AL [0,1,0,0,0,0|1,0,2]=4 78 B6R0.6 C#CCCCCBr 0285AC [0,1,0,0,0,0|1,0,1]=3 79 B6R0.6 C#CCCCCCl Z1919 [0,1,0,0,0,0|1,0,1]=3 80 B6R0.6 C#CCCCCI 1166AQ [0,1,0,0,0,0|1,0,1]=3 81 B6R0.6 C=CCCCCCl X6224 [0,1,0,0,0,0|1,0,1]=3 82 B6R0.6 CCC#CCCO 5338AH [0,1,0,0,0,0|0,0,1]=2 83 B6R0.6 CCCC#CCO V0624 [0,1,0,0,0,0|0,0,1]=2 84 B6R0.6 CCCCSCC 7568AF [0,1,0,0,0,0|1,0,0]=2 85 B6R0.6 CCCNCCO 8316AA [0,1,0,0,0,0|0,0,0]=1 86 B6R0.6 CCSSSCC U690 [0,1,0,0,0,0|3,0,0]=4 87 B6R0.6 CNCCCCO 5794AB [0,1,0,0,0,0|0,0,0]=1 88 B6R0.6 C\C=C/CCCO 7448AL [0,1,0,0,0,0|0,0,1]=2 89 B6R0.6 C\C=C\C=C\CO X5865 [0,1,0,0,0,0|0,0,3]=4 90 B6R0.6 ICCOCCI 4098AB [0,1,0,0,0,0|2,0,0]=3 91 B6R0.6 NCCOCCN 9093AB [0,1,0,0,0,0|2,0,0]=3 92 B6R0.6 S=C=NCCCCl 9052AD [0,1,0,0,0,0|1,1,1]=4 93 B6R0.6 SCCCCCS 7344AF [0,1,0,0,0,0|0,1,0]=2 94 B6R0.6 SCCOCCS 5152AL [0,1,0,0,0,0|1,1,0]=3 95 B6R1.1 C1=CCNCC1 V3961 [0,0,0,1,0,0|1,0,2]=4 96 B6R1.1 C1=CCOCC1 X4947 [0,0,0,1,0,0|0,0,2]=3 97 B6R1.1 C1CNCCN1 8845AL [0,0,0,1,0,0|2,0,0]=3 98 B6R1.1 C1CNCCN1 8846AL [0,0,0,1,0,0|2,0,0]=3 99 B6R1.1 C1CNCCN1 G991 [0,0,0,1,0,0|2,0,0]=3 100 B6R1.1 C1CSCCO1 7266AF [0,0,0,1,0,0|1,0,0]=2 101 B6R1.2 BrC1CCNC1 X9668 [0,0,0,1,0,0|2,0,0]=3 102 B6R1.2 BrC1CCOC1 W4135 [0,0,0,1,0,0|2,0,0]=3 103 B6R1.2 CC1=NCCN1 5706AL [0,0,0,1,0,0|2,0,1]=4 104 B6R1.2 CC1=NCCS1 5709AL [0,0,0,1,0,0|1,1,1]=4 105 B6R1.2 CC1CCCN1 2138AL [0,0,0,1,0,0|1,0,0]=2 106 B6R1.2 C[C@@H]1CCNC1 1585AB [0,0,0,1,0,0|2,0,0]=3 107 B6R1.2 C[C@H]1CCNC1 W4034 [0,0,0,1,0,0|2,0,0]=3 108 B6R1.2 ClC1CCCC1 H294 [0,0,0,1,0,0|1,0,0]=2 109 B6R1.2 ClC1CCOC1 X2032 [0,0,0,1,0,0|2,0,0]=3 110 B6R1.2 ClP1OCCO1 V2040 [0,0,0,1,0,0|3,0,0]=4 111 B6R1.2 N=C1CCCS1 V6112 [0,0,0,1,0,0|1,1,1]=4 112 B6R1.2 N[C@@H]1CCOC1 X8829 [0,0,0,1,0,0|2,0,0]=3 113 B6R1.2 O=S1CCCC1 X4814 [0,0,0,1,0,0|1,0,1]=3 114 B6R1.2 S=C1CCCN1 7821AD [0,0,0,1,0,0|1,1,1]=4 115 B6R1.3 BrCCC1CO1 4719AJ [0,0,0,1,0,0|1,0,0]=2 116 B6R1.3 CNCC1CC1 X2042 [0,0,0,1,0,0|2,0,0]=3 117 B6R1.3 NCCC1CC1 4787AC [0,0,0,1,0,0|1,0,0]=2 118 B6R1.3 NCCC1CC1 9526AB [0,0,0,1,0,0|1,0,0]=2 119 B6R1.3 O=CNC1CC1 V6779 [0,0,0,1,0,0|1,0,2]=4 120 B6R1.3 S=C=NC1CC1 5743AE [0,0,0,1,0,0|1,1,1]=4 121 B6R1.6 BrCC1COC1 2022AJ [0,0,0,1,0,0|2,0,0]=3 122 B6R1.6 CNC1CCC1 4414AJ [0,0,0,1,0,0|2,0,0]=3 123 B6R1.6 ICC1CCO1 1038AD [0,0,0,1,0,0|1,0,0]=2 124 B6R1.6 N#CC1CNC1 W5620 [0,0,0,1,0,0|2,0,1]=4 125 B6R1.6 NCC1CCC1 W6312 [0,0,0,1,0,0|1,0,0]=2 126 B6R1.6 NCC1CCC1 W6876 [0,0,0,1,0,0|1,0,0]=2 127 B6R1.6 NCC1CNC1 W4567 [0,0,0,1,0,0|2,0,0]=3 128 B6R1.6 NCC1COC1 4443AJ [0,0,0,1,0,0|2,0,0]=3 129 B6R1.6 NNC1CCC1 2537AA [0,0,0,1,0,0|2,0,0]=3 130 B6R1.6 NNC1CCC1 W3433 [0,0,0,1,0,0|2,0,0]=3 131 B6R1.6 OCC1CCO1 Z4942 [0,0,0,1,0,0|1,0,0]=2 132 B6R1.6 OCC1CNC1 W9563 [0,0,0,1,0,0|1,0,0]=2 133 B6R1.6 OCC1CNC1 Y5829 [0,0,0,1,0,0|1,0,0]=2 134 B3R0.1 CCCN 8883AL [2,0,0,0,0,0|1,0,0]=3 135 B3R0.1 CCCS 7738AJ [2,0,0,0,0,0|0,1,0]=3 136 B3R0.1 CCNO X5655 [2,0,0,0,0,0|1,0,0]=3 137 B3R0.1 ClCCI 4811AL [2,0,0,0,0,0|2,0,0]=4 138 B3R0.1 FCCI V7660 [2,0,0,0,0,0|2,0,0]=4 139 B3R0.1 NCCN 7518AA [2,0,0,0,0,0|2,0,0]=4 140 B3R0.1 NCCN 8659AJ [2,0,0,0,0,0|2,0,0]=4 141 B5R0.1 C#CCC(C)C 8172AJ [1,1,0,0,0,0|0,0,2]=4 142 B5R0.1 C=C(Br)CCO X2989 [1,1,0,0,0,0|0,0,2]=4 143 B5R0.1 C=C(C)CCBr Z4377 [1,1,0,0,0,0|1,0,1]=4 144 B5R0.1 C=C(C)CCC 5700AL [1,1,0,0,0,0|0,0,1]=3 145 B5R0.1 CC(C)CCI X5313 [1,1,0,0,0,0|1,0,0]=3 146 B5R0.1 CC(C)CNN Z1645 [1,1,0,0,0,0|2,0,0]=4 147 B5R0.1 CC(N)CCO Z2685 [1,1,0,0,0,0|0,0,0]=2 148 B5R0.1 CNCC(=O)O 9764AB [1,1,0,0,0,0|1,0,1]=4 149 B5R0.1 COCC(C)=O U020 [1,1,0,0,0,0|1,0,1]=4 150 B5R0.1 COCC(C)N 0442AC [1,1,0,0,0,0|1,0,0]=3 151 B5R0.1 COC[C@@H](C)N W7467 [1,1,0,0,0,0|1,0,0]=3 152 B5R0.1 CSCC(C)=O Y1373 [1,1,0,0,0,0|1,0,1]=4 153 B5R0.1 CSCS(C)=O E772 [1,1,0,0,0,0|2,0,0]=4 154 B5R0.1 C[C@H](N)CCO W7371 [1,1,0,0,0,0|0,0,0]=2 155 B5R0.1 NCCS(=O)O 0301AQ [1,1,0,0,0,0|2,0,0]=4 156 B5R0.1 O=C(O)CCI 7031AF [1,1,0,0,0,0|1,0,1]=4 157 B5R0.3 C=CC(C)CC 6094AL [1,1,0,0,0,0|0,0,2]=4 158 B5R0.3 C=CC(O)CC 7733AJ [1,1,0,0,0,0|0,0,2]=4 159 B5R0.3 C=CC(O)CO V0531 [1,1,0,0,0,0|0,0,2]=4 160 B5R0.3 C=C[C@@H](N)CO 3384AB [1,1,0,0,0,0|0,0,2]=4 161 B5R0.3 C=C[C@H](N)CO W4532 [1,1,0,0,0,0|0,0,2]=4 162 B5R0.3 CCC(=O)NC 7273AF [1,1,0,0,0,0|1,0,1]=4 163 B5R0.3 CCC(C)C=O 7969AJ [1,1,0,0,0,0|0,0,2]=4 164 B5R0.3 CCC(C)CC 6117AL [1,1,0,0,0,0|0,0,0]=2 165 B5R0.3 CCC(C)CI 4886AL [1,1,0,0,0,0|1,0,0]=3 166 B5R0.3 CCC(C)NC 9511AE [1,1,0,0,0,0|1,0,0]=3 167 B5R0.3 CCC(C)NN 0007AD [1,1,0,0,0,0|2,0,0]=4 168 B5R0.3 CCC(O)CN 6349AA [1,1,0,0,0,0|1,0,0]=3 169 B5R0.3 CCN(C)CC 7490AH [1,1,0,0,0,0|1,0,0]=3 170 B5R0.3 CC[C@H](O)CO 1422AC [1,1,0,0,0,0|0,0,0]=2 171 B5R0.3 CC\C(N)=N\O 9295AD [1,1,0,0,0,0|1,0,1]=4 172 B5R0.3 NC(CO)CO V0534 [1,1,0,0,0,0|1,0,0]=3 173 B5R0.3 NCC(O)CCl Z2000 [1,1,0,0,0,0|2,0,0]=4 174 B5R0.3 O=CC(O)CO 6635AH [1,1,0,0,0,0|1,0,1]=4 175 B5R0.3 OCC(S)CS F878 [1,1,0,0,0,0|1,0,0]=3 176 B7R0.2 CCC(=O)CC(C)C 9385AB [0,2,0,0,0,0|1,0,1]=4 177 B7R0.2 CCC(N)CC(=O)O W4035 [0,2,0,0,0,0|0,0,1]=3 178 B7R0.2 CCN(C)CC(=O)O 9048AE [0,2,0,0,0,0|1,0,1]=4 179 B7R0.2 CC[C@H](C)CC(=O)O 4847AJ [0,2,0,0,0,0|0,0,1]=3 180 B7R0.2 CNC(C)CC(C)C 2627AF [0,2,0,0,0,0|2,0,0]=4 181 B7R0.2 C\C(CC(C)C)=N/O 6599AL [0,2,0,0,0,0|1,0,1]=4 182 B7R0.2 NC[C@H](O)CC(=O)O Z5048 [0,2,0,0,0,0|1,0,1]=4 183 B7R0.2 N[C@@H](CO)CC(=O)O W3594 [0,2,0,0,0,0|1,0,1]=4 184 B7R0.2 N[C@H](CO)CC(=O)O Z5676 [0,2,0,0,0,0|1,0,1]=4 185 B7R0.3 C=CCCC(Br)CBr 4446AL [0,2,0,0,0,0|1,0,1]=4 186 B7R0.3 CCC(C)CN=C=S 3700AE [0,2,0,0,0,0|0,1,1]=4 187 B7R0.3 CCCCC(=O)CC 7786AF [0,2,0,0,0,0|1,0,0]=3 188 B7R0.3 CCCCC(=O)NN X5269 [0,2,0,0,0,0|0,0,2]=4 189 B7R0.3 CCCCC(Br)CC 6006AL [0,2,0,0,0,0|1,0,0]=3 190 B7R0.3 CCCC[C@@H](N)CO V7833 [0,2,0,0,0,0|0,0,0]=2 191 B7R0.3 CCCNC(=O)CN V6930 [0,2,0,0,0,0|1,0,1]=4 192 B7R0.3 CCCOC(=O)CBr U694 [0,2,0,0,0,0|1,0,1]=4 193 B7R0.3 CCCOC(=O)CC 7524AF [0,2,0,0,0,0|1,0,1]=4 194 B7R0.3 CCOCC(O)CCl 5717AB [0,2,0,0,0,0|1,0,0]=3 195 B7R0.3 COC(=O)CCCN 3563AL [0,2,0,0,0,0|1,0,1]=4 196 B7R0.3 NNC(=O)CCCO 2288AE [0,2,0,0,0,0|1,0,1]=4 197 B7R0.3 OCCCC(O)CO 4412AL [0,2,0,0,0,0|0,0,0]=2 198 B7R0.5 CC(=O)N(C)CCO 4889AD [0,2,0,0,0,0|1,0,1]=4 199 B7R0.5 CC(C)C(N)CCO 5799AJ [0,2,0,0,0,0|0,0,0]=2 200 B7R0.5 CCC[C@H](N)C(N)=O Z6420 [0,2,0,0,0,0|0,0,2]=4 201 B7R0.5 COCC(N)C(=O)O Z1926 [0,2,0,0,0,0|1,0,1]=4 202 B7R0.5 CSC[C@H](N)C(=O)O V1222 [0,2,0,0,0,0|1,0,1]=4 203 B7R0.5 NC(CCS)C(=O)O D600 [0,2,0,0,0,0|1,0,1]=4 204 B7R0.5 NCCC(N)C(=O)O X3169 [0,2,0,0,0,0|1,0,1]=4 205 B7R0.5 NCC[C@H](N)C(=O)O 0470AP [0,2,0,0,0,0|1,0,1]=4 206 B7R0.5 NCC[C@H](N)C(=O)O 7090AH [0,2,0,0,0,0|1,0,1]=4 207 B7R0.7 CCCC(C)CC=S U658 [0,2,0,0,0,0|0,1,0]=3 208 B7R0.7 CCCC(C)CCC 6609AL [0,2,0,0,0,0|1,0,0]=3 209 B7R0.7 CCCC(C)N=C=S 6786AD [0,2,0,0,0,0|0,1,1]=4 210 B7R0.7 CCCC(O)CCC 6512AL [0,2,0,0,0,0|1,0,0]=3 211 B7R0.7 CCCC(S)CCO U459 [0,2,0,0,0,0|0,0,0]=2 212 B7R0.7 CCNC(=O)CCCl 3193AE [0,2,0,0,0,0|1,0,1]=4 213 B7R0.7 CCNC(C)CCO 9482AE [0,2,0,0,0,0|0,0,0]=2 214 B7R0.7 CCOC(C)OCC U086 [0,2,0,0,0,0|2,0,0]=4 215 B7R0.7 CN(CCN)CCN 8596AL [0,2,0,0,0,0|2,0,0]=4 216 B7R0.7 COCC(=O)COC 9752AA [0,2,0,0,0,0|1,0,1]=4 217 B7R0.7 O=C(CCO)CCO 5879AB [0,2,0,0,0,0|0,0,1]=3 218 B7R0.10 CC[C@@H](C)[C@@H](N)CO G876 [0,2,0,0,0,0|0,0,0]=2 219 B7R0.10 COC(=O)[C@@H](O)CO X8639 [0,2,0,0,0,0|1,0,1]=4 220 B7R0.10 COC(=O)[C@H](C)CO X3275 [0,2,0,0,0,0|1,0,1]=4 221 B7R0.10 COC(=O)[C@H](O)CO 9042AH [0,2,0,0,0,0|1,0,1]=4 222 B7R0.10 O=C(CO)[C@@H](O)CO 8755AJ [0,2,0,0,0,0|1,0,1]=4 223 B7R0.10 O[C@@H](CS)[C@@H](O)CS 7309AH [0,2,0,0,0,0|1,1,0]=4 224 B7R0.11 CCS(=O)(=O)CCCl 8368AD [0,2,0,0,0,0|2,0,0]=4 225 B7R0.11 C[N+](C)(CF)CCO 3959AE [0,2,0,0,0,0|2,0,0]=4 226 B7R0.12 CCN(CCO)N=O 8548AL [0,2,0,0,0,0|1,0,0]=3 227 B7R0.4 C=CCCCB(O)O V8690 [0,2,0,0,0,0|0,0,2]=4 228 B7R0.4 CC(=O)CCCCCl D718 [0,2,0,0,0,0|1,0,0]=3 229 B7R0.4 CC(C)NCCCO 0839AE [0,2,0,0,0,0|0,0,0]=2 230 B7R0.4 CCC#CCC(C)O 6519AL [0,2,0,0,0,0|0,0,1]=3 231 B7R0.4 CCCCSC(C)=O 3195AL [0,2,0,0,0,0|0,0,2]=4 232 B7R0.4 CCCOCC(=O)O 5344AE [0,2,0,0,0,0|0,0,1]=3 233 B7R0.4 CN(C)CCCC#N X6979 [0,2,0,0,0,0|1,0,1]=4 234 B7R0.4 CNCCCC(=O)O 2115AA [0,2,0,0,0,0|0,0,1]=3 235 B7R0.4 COCCCC(=O)O 2917AB [0,2,0,0,0,0|0,0,1]=3 236 B7R0.4 N#CCCCC(=O)O W5958 [0,2,0,0,0,0|0,0,2]=4 237 B7R0.4 NC(=O)CSCCO 6778AD [0,2,0,0,0,0|1,0,1]=4 238 B7R0.4 NCCCCC(=O)O 9495AB [0,2,0,0,0,0|0,0,1]=3 239 B7R0.4 O=C(O)COCCCl Y5074 [0,2,0,0,0,0|1,0,1]=4 240 B7R0.4 OB(O)CCCCBr X0904 [0,2,0,0,0,0|1,0,0]=3 241 B7R0.6 C=C(C)CCC(=O)O 0114AA [0,2,0,0,0,0|0,0,2]=4 242 B7R0.6 CC(Br)CCC(C)Br V1473 [0,2,0,0,0,0|1,0,0]=3 243 B7R0.6 CC(C)CCC(C)Br 5483AJ [0,2,0,0,0,0|1,0,0]=3 244 B7R0.6 CC(C)OCC(=O)O 0549AE [0,2,0,0,0,0|1,0,1]=4 245 B7R0.6 CC(Cl)CCC(=O)Cl 6146AJ [0,2,0,0,0,0|0,0,2]=4 246 B7R0.6 CC(O)CCC(C)O Q324 [0,2,0,0,0,0|0,0,0]=2 247 B7R0.6 C[C@@H](O)CC[C@@H](C)O 4049AL [0,2,0,0,0,0|0,0,0]=2 248 B7R0.6 C[S+](C)CCC(=O)O 4030AL [0,2,0,0,0,0|1,0,1]=4 249 B7R0.8 CC(C)(C)OCCN 4886AH [0,2,0,0,0,0|2,0,0]=4 250 B7R0.8 CCCCC(C)(C)O 7817AF [0,2,0,0,0,0|0,0,0]=2 251 B7R0.8 CCCCS(N)(=O)=O V5100 [0,2,0,0,0,0|1,0,1]=4 252 B7R0.8 CS(=O)(=O)CCCO V4240 [0,2,0,0,0,0|1,0,0]=3 253 B7R0.8 C[Si](Cl)(Cl)CCCCl P814 [0,2,0,0,0,0|1,1,0]=4 254 B7R0.8 FC(F)(F)CCCBr 5528AB [0,2,0,0,0,0|2,0,0]=4 255 B7R0.8 FC(F)(F)CCCI 3994AE [0,2,0,0,0,0|2,0,0]=4 256 B7R0.8 OCCCC(F)(F)F 6346AB [0,2,0,0,0,0|1,0,0]=3 257 B7R0.1 C=CCC#CCCO 1165AQ [0,2,0,0,0,0|0,0,2]=4 258 B7R0.1 C=CCSSCCC O398 [0,2,0,0,0,0|1,0,1]=4 259 B7R0.1 CCCC#CCCC 7932AF [0,2,0,0,0,0|1,0,0]=3 260 B7R0.1 CCCC#CCCO 5337AH [0,2,0,0,0,0|0,0,0]=2 261 B7R0.1 CCCCC#CCO V0602 [0,2,0,0,0,0|0,0,0]=2 262 B7R0.1 CCCCCCOC 8052AL [0,2,0,0,0,0|0,0,0]=2 263 B7R0.1 CCCCCOC=O 7518AF [0,2,0,0,0,0|0,0,0]=2 264 B7R0.1 CCCCSCCO 5039AL [0,2,0,0,0,0|0,0,0]=2 265 B7R0.1 CCCNCCCN 1645AB [0,2,0,0,0,0|1,0,0]=3 266 B7R0.1 CCC\C=C/CCC 7451AL [0,2,0,0,0,0|1,0,0]=3 267 B7R0.1 CCNCCCCO 2370AE [0,2,0,0,0,0|0,0,0]=2 268 B7R0.1 CC\C=C/CCCO 7447AL [0,2,0,0,0,0|0,0,0]=2 269 B7R0.1 CC\C=C\C=C\CO 3900AB [0,2,0,0,0,0|0,0,2]=4 270 B7R0.1 CNCCCCNC 8068AA [0,2,0,0,0,0|1,0,0]=3 271 B7R0.1 COCCCN=C=O X6790 [0,2,0,0,0,0|0,0,2]=4 272 B7R0.1 NCCCNCCN M698 [0,2,0,0,0,0|1,0,0]=3 273 B7R0.1 NCCCNCCO 6154AB [0,2,0,0,0,0|0,0,0]=2 274 B7R0.1 NCCNCCCO 8334AL [0,2,0,0,0,0|0,0,0]=2 275 B7R0.1 OCCNNCCO 1925AB [0,2,0,0,0,0|1,0,0]=3 276 B5R1.1 C1=CCCC1 7379AF [1,0,0,1,0,0|0,0,2]=4 277 B5R1.1 C1CCCC1 8499AJ [1,0,0,1,0,0|0,0,0]=2 278 B5R1.2 BrC1CNC1 7707AB [1,0,0,1,0,0|2,0,0]=4 279 B5R1.2 CC1CNC1 W9623 [1,0,0,1,0,0|1,0,0]=3 280 B5R1.2 ClC1CCC1 Z7366 [1,0,0,1,0,0|1,0,0]=3 281 B5R1.2 ClC1CNC1 3365AB [1,0,0,1,0,0|2,0,0]=4 282 B5R1.2 FC1CNC1 X3056 [1,0,0,1,0,0|2,0,0]=4 283 B5R1.2 NC1CNC1 0554AA [1,0,0,1,0,0|2,0,0]=4 284 B5R1.2 NC1COC1 6668AB [1,0,0,1,0,0|2,0,0]=4 285 B5R1.2 OC1CNC1 W6360 [1,0,0,1,0,0|1,0,0]=3 286 B5R1.3 C=CC1CO1 7293AL [1,0,0,1,0,0|0,0,2]=4 287 B5R1.3 CC[C@H]1CO1 7482AJ [1,0,0,1,0,0|0,0,0]=2 288 B5R1.3 NCC1CC1 Y1835 [1,0,0,1,0,0|1,0,0]=3 289 B7R1.1 CCC1=NCCN1 5611AL [0,1,0,1,0,0|1,0,1]=4 290 B7R1.1 CNC1CCCC1 W8261 [0,1,0,1,0,0|1,0,0]=3 291 B7R1.1 CNC1CCCC1 Z4480 [0,1,0,1,0,0|1,0,0]=3 292 B7R1.1 COC1=NCCC1 7443AB [0,1,0,1,0,0|1,0,1]=4 293 B7R1.1 COC1CCNC1 Z2737 [0,1,0,1,0,0|1,0,0]=3 294 B7R1.1 CO[C@@H]1CCNC1 Z4777 [0,1,0,1,0,0|1,0,0]=3 295 B7R1.1 CO[C@H]1CCNC1 Z5035 [0,1,0,1,0,0|1,0,0]=3 296 B7R1.1 ICC1CCOC1 3884AL [0,1,0,1,0,0|1,0,0]=3 297 B7R1.1 NCC1CCCC1 W7173 [0,1,0,1,0,0|1,0,0]=3 298 B7R1.1 NCC1CCCN1 W7106 [0,1,0,1,0,0|1,0,0]=3 299 B7R1.1 NCC1CCCN1 W7375 [0,1,0,1,0,0|1,0,0]=3 300 B7R1.1 NC[C@@H]1CCCN1 0819AA [0,1,0,1,0,0|1,0,0]=3 301 B7R1.1 NC[C@H]1CCCN1 Z3950 [0,1,0,1,0,0|1,0,0]=3 302 B7R1.1 NNC1CCCC1 W7612 [0,1,0,1,0,0|1,0,0]=3 303 B7R1.1 OCC1OCCO1 2093AL [0,1,0,1,0,0|1,0,0]=3 304 B7R1.1 OC[C@@H]1CCNC1 4311AA [0,1,0,1,0,0|0,0,0]=2 305 B7R1.1 OC[C@@H]1CCNC1 Z7301 [0,1,0,1,0,0|0,0,0]=2 306 B7R1.1 OC[C@@H]1CCOC1 4598AA [0,1,0,1,0,0|0,0,0]=2 307 B7R1.1 OC[C@H]1CCNC1 1914AA [0,1,0,1,0,0|0,0,0]=2 308 B7R1.2 CC1CCC(=O)N1 1659AA [0,1,0,1,0,0|0,0,2]=4 309 B7R1.2 CN1CCC(N)C1 9936AH [0,1,0,1,0,0|2,0,0]=4 310 B7R1.2 CN1CCC(N)C1 X9823 [0,1,0,1,0,0|2,0,0]=4 311 B7R1.2 CN1CC[C@@H](N)C1 3935AE [0,1,0,1,0,0|2,0,0]=4 312 B7R1.2 NC1CCC(O)C1 X9254 [0,1,0,1,0,0|0,0,0]=2 313 B7R1.2 N[C@@H]1CC[C@H](O)C1 4920AA [0,1,0,1,0,0|0,0,0]=2 314 B7R1.2 OC1CCC(O)C1 7614AJ [0,1,0,1,0,0|0,0,0]=2 315 B7R1.3 BrC1CCCOC1 X9769 [0,1,0,1,0,0|0,0,0]=2 316 B7R1.3 BrC1CCOCC1 W4892 [0,1,0,1,0,0|0,0,0]=2 317 B7R1.3 CC1=CCCNC1 V9748 [0,1,0,1,0,0|1,0,1]=4 318 B7R1.3 CC1COCCN1 W6211 [0,1,0,1,0,0|1,0,0]=3 319 B7R1.3 CN1CCNCC1 4120AB [0,1,0,1,0,0|2,0,0]=4 320 B7R1.3 C[C@@H]1CNCCO1 8974AH [0,1,0,1,0,0|0,0,0]=2 321 B7R1.3 C[C@@H]1CNCCO1 W3662 [0,1,0,1,0,0|0,0,0]=2 322 B7R1.3 C[C@@H]1COCCN1 X4857 [0,1,0,1,0,0|1,0,0]=3 323 B7R1.3 C[C@H]1CNCCO1 W8218 [0,1,0,1,0,0|0,0,0]=2 324 B7R1.3 C[C@H]1COCCN1 X4748 [0,1,0,1,0,0|1,0,0]=3 325 B7R1.3 ClC1CCNCC1 7684AB [0,1,0,1,0,0|1,0,0]=3 326 B7R1.3 ClC1CCNCC1 Q214 [0,1,0,1,0,0|1,0,0]=3 327 B7R1.3 NC1CCCNC1 5237AE [0,1,0,1,0,0|1,0,0]=3 328 B7R1.3 NC1CCCOC1 X9447 [0,1,0,1,0,0|0,0,0]=2 329 B7R1.3 NC1CCSCC1 W4711 [0,1,0,1,0,0|0,1,0]=3 330 B7R1.3 NN1CCCCC1 O184 [0,1,0,1,0,0|1,0,0]=3 331 B7R1.3 N[C@@H]1CCCOC1 5857AA [0,1,0,1,0,0|0,0,0]=2 332 B7R1.3 O=C1CCCNC1 7001AB [0,1,0,1,0,0|0,0,2]=4 333 B7R1.3 O=C1CCCSC1 Z4344 [0,1,0,1,0,0|0,0,2]=4 334 B7R1.3 O=C1CCNCC1 5781AB [0,1,0,1,0,0|0,0,2]=4 335 B7R1.3 O=C1COCCO1 3182AB [0,1,0,1,0,0|1,0,1]=4 336 B7R1.3 OC1CCSCC1 W5218 [0,1,0,1,0,0|0,0,0]=2 337 B7R1.3 O[C@@H]1CCCNC1 9408AB [0,1,0,1,0,0|0,0,0]=2 338 B7R1.4 CC1CCNC1=O Y8455 [0,1,0,1,0,0|0,0,2]=4 339 B7R1.4 CC1CCOC1=O W3659 [0,1,0,1,0,0|0,0,2]=4 340 B7R1.4 CC1CSCC1=O 6972AB [0,1,0,1,0,0|0,0,2]=4 341 B7R1.4 CC1SCCC1=O 6512AA [0,1,0,1,0,0|0,0,2]=4 342 B7R1.4 CN1CCCC1=S 4914AL [0,1,0,1,0,0|0,1,1]=4 343 B7R1.4 NC1CCCC1O W9232 [0,1,0,1,0,0|0,0,0]=2 344 B7R1.4 N[C@@H]1CCC[C@@H]1O V0969 [0,1,0,1,0,0|0,0,0]=2 345 B7R1.4 N[C@@H]1CCC[C@H]1O V0968 [0,1,0,1,0,0|0,0,0]=2 346 B7R1.4 N[C@@H]1COC[C@@H]1N X8658 [0,1,0,1,0,0|2,0,0]=4 347 B7R1.4 N[C@@H]1COC[C@H]1O 4689AJ [0,1,0,1,0,0|1,0,0]=3 348 B7R1.4 N[C@H]1CCC[C@H]1O V0971 [0,1,0,1,0,0|0,0,0]=2 349 B7R1.4 O=C1OCCC1O 0071AB [0,1,0,1,0,0|1,0,1]=4 350 B7R1.4 O=C1OCC[C@H]1O 8329AB [0,1,0,1,0,0|1,0,1]=4 351 B7R1.4 OC1CCCC1O 5008AJ [0,1,0,1,0,0|0,0,0]=2 352 B7R1.4 O[C@@H]1CCC[C@H]1O 6973AB [0,1,0,1,0,0|0,0,0]=2 353 B7R1.4 O[C@H]1CNC[C@@H]1O Z5315 [0,1,0,1,0,0|1,0,0]=3 354 B7R1.6 CCOC1CNC1 V6478 [0,1,0,1,0,0|2,0,0]=4 355 B7R1.6 COCC1CNC1 2582AD [0,1,0,1,0,0|1,0,0]=3 356 B7R1.6 COCC1CNC1 Z5376 [0,1,0,1,0,0|1,0,0]=3 357 B7R1.6 OCCC1COC1 1983AB [0,1,0,1,0,0|0,0,0]=2 358 B7R1.10 CCN1CC(N)C1 9834AH [0,1,0,1,0,0|2,0,0]=4 359 B7R1.10 CCN1CC(O)C1 4525AB [0,1,0,1,0,0|1,0,0]=3 360 B7R1.10 OCC1CC(Cl)C1 8034AA [0,1,0,1,0,0|0,0,0]=2 361 B7R1.22 N\C(=N/O)C1CC1 W6626 [0,1,0,1,0,0|1,0,1]=4 362 B7R1.22 [C@@H]1(C(=O)OC)CO1 4453AH [0,1,0,1,0,0|1,0,1]=4 363 B7R1.25 CC1(CI)COC1 Z7396 [0,1,0,1,0,0|2,0,0]=4 364 B7R1.25 CC1(CN)COC1 W3338 [0,1,0,1,0,0|2,0,0]=4 365 B7R1.25 CC1(CO)CSC1 5905AE [0,1,0,1,0,0|1,0,0]=3 366 B7R1.25 NCC1(O)CCC1 W3913 [0,1,0,1,0,0|1,0,0]=3 367 B7R1.7 BrCC#CC1CC1 4740AJ [0,1,0,1,0,0|1,0,1]=4 368 B7R1.7 CCCCC1CO1 4465AL [0,1,0,1,0,0|0,0,0]=2 369 B7R1.7 ClCCOC1CC1 Y8014 [0,1,0,1,0,0|1,0,0]=3 370 B7R1.7 S=C=NCC1CC1 Y9597 [0,1,0,1,0,0|0,1,1]=4 371 B7R1.14 CC1(C)CCCN1 W7438 [0,1,0,1,0,0|1,0,0]=3 372 B7R1.14 CC1(O)CCNC1 Y1200 [0,1,0,1,0,0|1,0,0]=3 373 B7R1.14 CC1(O)CCNC1 Y7315 [0,1,0,1,0,0|1,0,0]=3 374 B7R1.14 FC1(F)CCNC1 W3565 [0,1,0,1,0,0|2,0,0]=4 375 B7R1.18 CC(=O)C1CCC1 9513AD [0,1,0,1,0,0|0,0,2]=4 376 B7R1.18 CC(O)C1CCC1 W8263 [0,1,0,1,0,0|0,0,0]=2 377 B7R1.18 N=C(N)C1CCC1 1131AC [0,1,0,1,0,0|1,0,1]=4 378 B7R1.18 O=C(O)C1CCN1 X2014 [0,1,0,1,0,0|1,0,1]=4 379 B7R1.18 O=C(O)C1COC1 X3417 [0,1,0,1,0,0|1,0,1]=4 380 B7R1.18 O=C(O)[C@@H]1CCN1 D297 [0,1,0,1,0,0|1,0,1]=4 381 B7R1.18 O=C(O)[C@H]1CCN1 Z4994 [0,1,0,1,0,0|1,0,1]=4