0 B5R0.2 C=CCCC=C 7447AF [0,0,0,0,0,0|2,0,2]=4 1 B5R0.2 C=CCCCN 2628AB [0,0,0,0,0,0|1,0,1]=2 2 B5R0.2 CC#CCCC 7448AF [0,0,0,0,0,0|2,0,1]=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|3,0,1]=4 5 B5R0.2 CCCSSC 8846AJ [0,0,0,0,0,0|2,0,0]=2 6 B5R0.2 CC\C=C/CC 7431AL [0,0,0,0,0,0|2,0,2]=4 7 B5R0.2 CC\C=C/CO 3214AL [0,0,0,0,0,0|2,0,2]=4 8 B5R0.2 CC\C=C\CC 3771AD [0,0,0,0,0,0|2,0,2]=4 9 B5R0.2 CNCCSC 7146AJ [0,0,0,0,0,0|2,0,0]=2 10 B5R0.2 COCCNN 5901AC [0,0,0,0,0,0|1,1,0]=2 11 B5R0.2 N#CCCCBr B613 [0,0,0,0,0,0|3,0,0]=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 NOC\C=C\Cl 3995AC [0,0,0,0,0,0|3,0,1]=4 16 B5R0.2 OCCNCO 5459AL [0,0,0,0,0,0|4,0,0]=4 17 B5R0.2 S=C=NCCBr 4566AD [0,0,0,0,0,0|4,0,0]=4 18 B4R0.2 C#CCCI 6186AJ [1,0,0,0,0,0|1,0,2]=4 19 B4R0.2 C#CCCN 6476AH [1,0,0,0,0,0|0,0,2]=3 20 B4R0.2 C=CCCC 7306AF [1,0,0,0,0,0|1,0,1]=3 21 B4R0.2 C=CCCN 2362AH [1,0,0,0,0,0|0,0,2]=3 22 B4R0.2 C=CSCC 7899AL [1,0,0,0,0,0|2,0,1]=4 23 B4R0.2 CCC#CI 4805AL [1,0,0,0,0,0|1,0,2]=4 24 B4R0.2 CCCC#N A365 [1,0,0,0,0,0|0,0,2]=3 25 B4R0.2 CCCCC 8942AJ [1,0,0,0,0,0|1,0,0]=2 26 B4R0.2 CCCCN 7306AL [1,0,0,0,0,0|0,0,0]=1 27 B4R0.2 CCCCS 4787AL [1,0,0,0,0,0|1,0,0]=2 28 B4R0.2 CCNCC 7648AL [1,0,0,0,0,0|2,0,0]=3 29 B4R0.2 CCNCC 7649AL [1,0,0,0,0,0|2,0,0]=3 30 B4R0.2 CCNCC 7650AL [1,0,0,0,0,0|2,0,0]=3 31 B4R0.2 CCOC=N M412 [1,0,0,0,0,0|1,0,2]=4 32 B4R0.2 CNCCN X9276 [1,0,0,0,0,0|1,0,0]=2 33 B4R0.2 CO[Ca]OC 9618AJ [1,0,0,0,0,0|2,1,0]=4 34 B4R0.2 CSCCO U461 [1,0,0,0,0,0|1,0,0]=2 35 B4R0.2 CSSSC 8583AJ [1,0,0,0,0,0|2,0,0]=3 36 B4R0.2 C\C=C\CC 7309AF [1,0,0,0,0,0|1,0,1]=3 37 B4R0.2 C\C=C\OC 1641AL [1,0,0,0,0,0|0,1,2]=4 38 B4R0.2 ClCSCCl 7220AL [1,0,0,0,0,0|3,0,0]=4 39 B4R0.2 NCCCN 7173AL [1,0,0,0,0,0|1,0,0]=2 40 B4R0.2 NCCCO 5983AL [1,0,0,0,0,0|0,1,0]=2 41 B4R0.2 NCCON W5869 [1,0,0,0,0,0|1,1,0]=3 42 B4R0.2 NOCCO 5251AJ [1,0,0,0,0,0|1,1,0]=3 43 B6R0.1 C=CC(O)CCC I123 [0,1,0,0,0,0|2,0,1]=4 44 B6R0.1 CC(CO)CCN 2620AL [0,1,0,0,0,0|2,0,0]=3 45 B6R0.1 CCC(O)COC 4893AL [0,1,0,0,0,0|1,1,0]=3 46 B6R0.1 CCCC(C)CCl 4812AL [0,1,0,0,0,0|2,0,0]=3 47 B6R0.1 CNC(=O)CCN 4757AE [0,1,0,0,0,0|1,0,1]=3 48 B6R0.1 C[C@@H](CO)CCN 4158AL [0,1,0,0,0,0|2,0,0]=3 49 B6R0.1 ClCC(Cl)CCBr 4770AL [0,1,0,0,0,0|3,0,0]=4 50 B6R0.1 OC(CCl)CCCl 4625AL [0,1,0,0,0,0|3,0,0]=4 51 B6R0.4 CC(Br)CCCBr 9465AB [0,1,0,0,0,0|2,0,0]=3 52 B6R0.4 CC(C)SCCN 3448AF [0,1,0,0,0,0|2,0,0]=3 53 B6R0.4 CC(O)CCCO 1536AL [0,1,0,0,0,0|2,0,0]=3 54 B6R0.4 CCCCC(=N)N 1867AA [0,1,0,0,0,0|1,0,1]=3 55 B6R0.4 CCCCC(=N)N 9567AA [0,1,0,0,0,0|1,0,1]=3 56 B6R0.4 CCCNC(N)=O P685 [0,1,0,0,0,0|2,0,1]=4 57 B6R0.4 CCCOC(N)=O 9471AB [0,1,0,0,0,0|2,0,1]=4 58 B6R0.4 CCCSC(C)=O R568 [0,1,0,0,0,0|3,0,0]=4 59 B6R0.4 CCCSC(C)C 8111AL [0,1,0,0,0,0|3,0,0]=4 60 B6R0.4 CN(C)CCCBr W7153 [0,1,0,0,0,0|2,0,0]=3 61 B6R0.4 CSCCC(C)=O L760 [0,1,0,0,0,0|1,0,1]=3 62 B6R0.4 NC(=O)CCCCl Y1653 [0,1,0,0,0,0|2,0,1]=4 63 B6R0.4 NCCCC(N)=O 5556AA [0,1,0,0,0,0|2,0,0]=3 64 B6R0.4 O=[N+]([O-])CCCO V2307 [0,1,0,0,0,0|3,0,0]=4 65 B6R0.6 BrCC[NH2+]CCBr W6266 [0,1,0,0,0,0|3,0,0]=4 66 B6R0.6 C#CCCCC#C 4672AL [0,1,0,0,0,0|2,0,1]=4 67 B6R0.6 C#CCCCCBr 0285AC [0,1,0,0,0,0|2,0,1]=4 68 B6R0.6 C#CCCCCCl Z1919 [0,1,0,0,0,0|2,0,1]=4 69 B6R0.6 C#CCCCCI 1166AQ [0,1,0,0,0,0|2,0,1]=4 70 B6R0.6 C=CCCCCCl X6224 [0,1,0,0,0,0|2,0,1]=4 71 B6R0.6 CCC#CCCO 5338AH [0,1,0,0,0,0|2,0,1]=4 72 B6R0.6 CCCC#CCO V0624 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.6 CCCCSCC 7568AF [0,1,0,0,0,0|1,0,0]=2 74 B6R0.6 CCCNCCO 8316AA [0,1,0,0,0,0|2,0,0]=3 75 B6R0.6 CCSSSCC U690 [0,1,0,0,0,0|3,0,0]=4 76 B6R0.6 CNCCCCO 5794AB [0,1,0,0,0,0|2,0,0]=3 77 B6R0.6 C\C=C/CCCO 7448AL [0,1,0,0,0,0|2,0,0]=3 78 B6R0.6 ICCOCCI 4098AB [0,1,0,0,0,0|3,0,0]=4 79 B6R0.6 NCCOCCN 9093AB [0,1,0,0,0,0|2,0,0]=3 80 B6R0.6 S=C=NCCCCl 9052AD [0,1,0,0,0,0|2,0,1]=4 81 B6R0.6 SCCCCCS 7344AF [0,1,0,0,0,0|2,0,0]=3 82 B6R0.6 SCCOCCS 5152AL [0,1,0,0,0,0|3,0,0]=4 83 B6R1.1 C1=CCNCC1 V3961 [0,0,0,1,0,0|1,0,1]=3 84 B6R1.1 C1=CCOCC1 X4947 [0,0,0,1,0,0|1,1,1]=4 85 B6R1.1 C1CNCCN1 8845AL [0,0,0,1,0,0|2,0,0]=3 86 B6R1.1 C1CNCCN1 8846AL [0,0,0,1,0,0|2,0,0]=3 87 B6R1.1 C1CNCCN1 G991 [0,0,0,1,0,0|2,0,0]=3 88 B6R1.1 C1CSCCO1 7266AF [0,0,0,1,0,0|2,0,0]=3 89 B6R1.2 BrC1CCNC1 X9668 [0,0,0,1,0,0|2,0,0]=3 90 B6R1.2 BrC1CCOC1 W4135 [0,0,0,1,0,0|1,1,0]=3 91 B6R1.2 CC1=NCCN1 5706AL [0,0,0,1,0,0|2,0,0]=3 92 B6R1.2 CC1=NCCS1 5709AL [0,0,0,1,0,0|2,0,1]=4 93 B6R1.2 CC1CCCN1 2138AL [0,0,0,1,0,0|1,0,0]=2 94 B6R1.2 C[C@@H]1CCNC1 1585AB [0,0,0,1,0,0|2,0,0]=3 95 B6R1.2 C[C@H]1CCNC1 W4034 [0,0,0,1,0,0|2,0,0]=3 96 B6R1.2 ClC1CCCC1 H294 [0,0,0,1,0,0|2,0,0]=3 97 B6R1.2 ClC1CCOC1 X2032 [0,0,0,1,0,0|1,1,0]=3 98 B6R1.2 N=C1CCCS1 V6112 [0,0,0,1,0,0|3,0,0]=4 99 B6R1.2 N[C@@H]1CCOC1 X8829 [0,0,0,1,0,0|0,1,0]=2 100 B6R1.2 O=C1CCNN1 W3840 [0,0,0,1,0,0|3,0,0]=4 101 B6R1.2 O=C1CCON1 3285AA [0,0,0,1,0,0|3,0,0]=4 102 B6R1.2 O=C1CNCN1 X9977 [0,0,0,1,0,0|3,0,0]=4 103 B6R1.2 O=S1CCCC1 X4814 [0,0,0,1,0,0|2,0,1]=4 104 B6R1.2 S=C1CCCN1 7821AD [0,0,0,1,0,0|2,0,0]=3 105 B6R1.3 BrCCC1CO1 4719AJ [0,0,0,1,0,0|1,1,0]=3 106 B6R1.3 CNCC1CC1 X2042 [0,0,0,1,0,0|2,0,0]=3 107 B6R1.3 NCCC1CC1 4787AC [0,0,0,1,0,0|1,0,0]=2 108 B6R1.3 NCCC1CC1 9526AB [0,0,0,1,0,0|1,0,0]=2 109 B6R1.6 BrCC1COC1 2022AJ [0,0,0,1,0,0|1,1,0]=3 110 B6R1.6 CNC1CCC1 4414AJ [0,0,0,1,0,0|2,0,0]=3 111 B6R1.6 ICC1CCO1 1038AD [0,0,0,1,0,0|3,0,0]=4 112 B6R1.6 N#CC1CNC1 W5620 [0,0,0,1,0,0|1,0,2]=4 113 B6R1.6 NCC1CCC1 W6312 [0,0,0,1,0,0|1,0,0]=2 114 B6R1.6 NCC1CCC1 W6876 [0,0,0,1,0,0|1,0,0]=2 115 B6R1.6 NCC1CNC1 W4567 [0,0,0,1,0,0|1,0,0]=2 116 B6R1.6 NCC1COC1 4443AJ [0,0,0,1,0,0|0,1,0]=2 117 B6R1.6 NNC1CCC1 2537AA [0,0,0,1,0,0|2,0,0]=3 118 B6R1.6 NNC1CCC1 W3433 [0,0,0,1,0,0|2,0,0]=3 119 B6R1.6 OCC1CCO1 Z4942 [0,0,0,1,0,0|3,0,0]=4 120 B6R1.6 OCC1CNC1 W9563 [0,0,0,1,0,0|2,0,0]=3 121 B6R1.6 OCC1CNC1 Y5829 [0,0,0,1,0,0|2,0,0]=3 122 B3R0.1 CCCN 8883AL [2,0,0,0,0,0|0,0,0]=2 123 B3R0.1 CCCS 7738AJ [2,0,0,0,0,0|0,0,0]=2 124 B3R0.1 CCNO X5655 [2,0,0,0,0,0|1,1,0]=4 125 B3R0.1 ClCCI 4811AL [2,0,0,0,0,0|2,0,0]=4 126 B3R0.1 FCCI V7660 [2,0,0,0,0,0|2,0,0]=4 127 B3R0.1 NCCN 7518AA [2,0,0,0,0,0|1,0,0]=3 128 B3R0.1 NCCN 8659AJ [2,0,0,0,0,0|1,0,0]=3 129 B5R0.1 C#CCC(C)C 8172AJ [1,1,0,0,0,0|1,0,1]=4 130 B5R0.1 C=C(C)CCBr Z4377 [1,1,0,0,0,0|1,0,1]=4 131 B5R0.1 C=C(C)CCC 5700AL [1,1,0,0,0,0|1,0,0]=3 132 B5R0.1 CC(C)CCI X5313 [1,1,0,0,0,0|1,0,0]=3 133 B5R0.1 CC(C)CNN Z1645 [1,1,0,0,0,0|1,0,0]=3 134 B5R0.1 CC(N)CCO Z2685 [1,1,0,0,0,0|0,1,0]=3 135 B5R0.1 COCC(=N)N W4095 [1,1,0,0,0,0|0,1,1]=4 136 B5R0.1 COCC(C)=O U020 [1,1,0,0,0,0|0,1,1]=4 137 B5R0.1 COCC(C)N 0442AC [1,1,0,0,0,0|0,1,0]=3 138 B5R0.1 COC[C@@H](C)N W7467 [1,1,0,0,0,0|0,1,0]=3 139 B5R0.1 CSC=[N+](C)C 8446AL [1,1,0,0,0,0|1,0,1]=4 140 B5R0.1 CSCC(C)=O Y1373 [1,1,0,0,0,0|0,0,1]=3 141 B5R0.1 CSCS(C)=O E772 [1,1,0,0,0,0|1,0,0]=3 142 B5R0.1 C[C@H](N)CCO W7371 [1,1,0,0,0,0|0,1,0]=3 143 B5R0.1 NCCC(N)=O 6432AB [1,1,0,0,0,0|0,1,1]=4 144 B5R0.1 NCCS(=O)O 0301AQ [1,1,0,0,0,0|1,0,1]=4 145 B5R0.3 C=CC(C)CC 6094AL [1,1,0,0,0,0|1,0,1]=4 146 B5R0.3 C=CC(O)CC 7733AJ [1,1,0,0,0,0|1,0,1]=4 147 B5R0.3 CCC(=O)NC 7273AF [1,1,0,0,0,0|1,0,1]=4 148 B5R0.3 CCC(=O)NN 6023AE [1,1,0,0,0,0|1,0,1]=4 149 B5R0.3 CCC(C)C=O 7969AJ [1,1,0,0,0,0|1,0,1]=4 150 B5R0.3 CCC(C)CC 6117AL [1,1,0,0,0,0|1,0,0]=3 151 B5R0.3 CCC(C)CI 4886AL [1,1,0,0,0,0|1,0,0]=3 152 B5R0.3 CCC(C)NC 9511AE [1,1,0,0,0,0|1,0,0]=3 153 B5R0.3 CCC(C)NN 0007AD [1,1,0,0,0,0|1,0,0]=3 154 B5R0.3 CCC(O)CN 6349AA [1,1,0,0,0,0|0,0,0]=2 155 B5R0.3 CCN(C)CC 7490AH [1,1,0,0,0,0|2,0,0]=4 156 B5R0.3 CC[C@H](O)CO 1422AC [1,1,0,0,0,0|1,0,0]=3 157 B5R0.3 CS\C(O)=[SH]/C K552 [1,1,0,0,0,0|1,0,1]=4 158 B5R0.3 NC(CO)CO V0534 [1,1,0,0,0,0|1,1,0]=4 159 B5R0.3 NCC(O)CCl Z2000 [1,1,0,0,0,0|1,0,0]=3 160 B5R0.3 OCC(S)CS F878 [1,1,0,0,0,0|1,0,0]=3 161 B7R0.2 CNC(C)CC(C)C 2627AF [0,2,0,0,0,0|2,0,0]=4 162 B7R0.2 NC[C@H](O)CC(=O)O Z5048 [0,2,0,0,0,0|2,0,0]=4 163 B7R0.3 CCCCC(=O)CC 7786AF [0,2,0,0,0,0|2,0,0]=4 164 B7R0.3 CCCCC(=O)NN X5269 [0,2,0,0,0,0|1,0,1]=4 165 B7R0.3 CCCCC(Br)CC 6006AL [0,2,0,0,0,0|2,0,0]=4 166 B7R0.3 CCCC[C@@H](N)CO V7833 [0,2,0,0,0,0|1,0,0]=3 167 B7R0.3 CCCNC(=O)CN V6930 [0,2,0,0,0,0|1,0,1]=4 168 B7R0.3 CCOCC(O)CCl 5717AB [0,2,0,0,0,0|1,1,0]=4 169 B7R0.3 COC(=O)CCCN 3563AL [0,2,0,0,0,0|0,1,0]=3 170 B7R0.3 OCCCC(O)CO 4412AL [0,2,0,0,0,0|2,0,0]=4 171 B7R0.5 CC(C)C(N)CCO 5799AJ [0,2,0,0,0,0|2,0,0]=4 172 B7R0.5 CCC[C@H](N)C(N)=O Z6420 [0,2,0,0,0,0|1,0,1]=4 173 B7R0.5 CSC[C@H](N)C(=O)O V1222 [0,2,0,0,0,0|1,0,1]=4 174 B7R0.5 NCCC(N)C(=O)O X3169 [0,2,0,0,0,0|2,0,0]=4 175 B7R0.5 NCC[C@H](N)C(=O)O 0470AP [0,2,0,0,0,0|2,0,0]=4 176 B7R0.5 NCC[C@H](N)C(=O)O 7090AH [0,2,0,0,0,0|2,0,0]=4 177 B7R0.7 CCCC(C)CC=S U658 [0,2,0,0,0,0|2,0,0]=4 178 B7R0.7 CCCC(C)CCC 6609AL [0,2,0,0,0,0|2,0,0]=4 179 B7R0.7 CCCC(O)CCC 6512AL [0,2,0,0,0,0|2,0,0]=4 180 B7R0.7 CCCC(S)CCO U459 [0,2,0,0,0,0|2,0,0]=4 181 B7R0.7 CCNC(C)CCO 9482AE [0,2,0,0,0,0|2,0,0]=4 182 B7R0.7 CN(CCN)CCN 8596AL [0,2,0,0,0,0|2,0,0]=4 183 B7R0.10 CC[C@@H](C)[C@@H](N)CO G876 [0,2,0,0,0,0|2,0,0]=4 184 B7R0.4 CC(=O)CCCCCl D718 [0,2,0,0,0,0|2,0,0]=4 185 B7R0.4 CC(C)NCCCO 0839AE [0,2,0,0,0,0|2,0,0]=4 186 B7R0.4 CCCCSC(C)=O 3195AL [0,2,0,0,0,0|1,0,0]=3 187 B7R0.4 CN(C)CCCC#N X6979 [0,2,0,0,0,0|1,0,1]=4 188 B7R0.4 CNCCCC(=O)O 2115AA [0,2,0,0,0,0|2,0,0]=4 189 B7R0.4 COCCCC(=O)O 2917AB [0,2,0,0,0,0|1,1,0]=4 190 B7R0.4 COCCNC(N)=S 7626AC [0,2,0,0,0,0|0,1,1]=4 191 B7R0.4 NCCCCC(=O)O 9495AB [0,2,0,0,0,0|1,0,1]=4 192 B7R0.6 CC(Br)CCC(C)Br V1473 [0,2,0,0,0,0|2,0,0]=4 193 B7R0.6 CC(C)CCC(C)Br 5483AJ [0,2,0,0,0,0|2,0,0]=4 194 B7R0.6 CC(O)CCC(C)O Q324 [0,2,0,0,0,0|2,0,0]=4 195 B7R0.6 C[C@@H](O)CC[C@@H](C)O 4049AL [0,2,0,0,0,0|2,0,0]=4 196 B7R0.8 CC(C)(C)OCCN 4886AH [0,2,0,0,0,0|2,0,0]=4 197 B7R0.8 CCCCC(C)(C)O 7817AF [0,2,0,0,0,0|2,0,0]=4 198 B7R0.8 CCCCS(N)(=O)=O V5100 [0,2,0,0,0,0|2,0,0]=4 199 B7R0.8 CS(=O)(=O)CCCO V4240 [0,2,0,0,0,0|1,0,1]=4 200 B7R0.8 C[Si](Cl)(Cl)CCCCl P814 [0,2,0,0,0,0|2,0,0]=4 201 B7R0.8 NCCCS(=O)(=O)[O-] 2591AC [0,2,0,0,0,0|1,0,1]=4 202 B7R0.1 C=CCSSCCC O398 [0,2,0,0,0,0|2,0,0]=4 203 B7R0.1 CCCC#CCCC 7932AF [0,2,0,0,0,0|2,0,0]=4 204 B7R0.1 CCCC#CCCO 5337AH [0,2,0,0,0,0|2,0,0]=4 205 B7R0.1 CCCCC#CCO V0602 [0,2,0,0,0,0|2,0,0]=4 206 B7R0.1 CCCCCCOC 8052AL [0,2,0,0,0,0|1,1,0]=4 207 B7R0.1 CCCCCOC=O 7518AF [0,2,0,0,0,0|2,0,0]=4 208 B7R0.1 CCCCSCCO 5039AL [0,2,0,0,0,0|1,0,0]=3 209 B7R0.1 CCCNCCCN 1645AB [0,2,0,0,0,0|1,0,0]=3 210 B7R0.1 CCC\C=C/CCC 7451AL [0,2,0,0,0,0|2,0,0]=4 211 B7R0.1 CCNCCCCO 2370AE [0,2,0,0,0,0|2,0,0]=4 212 B7R0.1 CC\C=C/CCCO 7447AL [0,2,0,0,0,0|2,0,0]=4 213 B7R0.1 CNCCCCNC 8068AA [0,2,0,0,0,0|1,0,0]=3 214 B7R0.1 COCCCN=C=O X6790 [0,2,0,0,0,0|0,1,1]=4 215 B7R0.1 NCCCNCCN M698 [0,2,0,0,0,0|1,0,0]=3 216 B7R0.1 NCCCNCCO 6154AB [0,2,0,0,0,0|1,0,0]=3 217 B7R0.1 NCCNCCCO 8334AL [0,2,0,0,0,0|1,0,0]=3 218 B5R1.1 C1=CCCC1 7379AF [1,0,0,1,0,0|1,0,1]=4 219 B5R1.1 C1CCCC1 8499AJ [1,0,0,1,0,0|1,0,0]=3 220 B5R1.2 BrC1CNC1 7707AB [1,0,0,1,0,0|2,0,0]=4 221 B5R1.2 CC1CNC1 W9623 [1,0,0,1,0,0|1,0,0]=3 222 B5R1.2 ClC1CCC1 Z7366 [1,0,0,1,0,0|1,0,0]=3 223 B5R1.2 ClC1CNC1 3365AB [1,0,0,1,0,0|2,0,0]=4 224 B5R1.2 FC1CNC1 X3056 [1,0,0,1,0,0|2,0,0]=4 225 B5R1.2 NC1CNC1 0554AA [1,0,0,1,0,0|1,0,0]=3 226 B5R1.2 NC1COC1 6668AB [1,0,0,1,0,0|0,1,0]=3 227 B5R1.2 O=C1CCN1 W9581 [1,0,0,1,0,0|0,1,1]=4 228 B5R1.2 O=C1CSC1 Z4430 [1,0,0,1,0,0|1,0,1]=4 229 B5R1.2 OC1CNC1 W6360 [1,0,0,1,0,0|2,0,0]=4 230 B5R1.3 CC[C@H]1CO1 7482AJ [1,0,0,1,0,0|0,1,0]=3 231 B5R1.3 NCC1CC1 Y1835 [1,0,0,1,0,0|0,0,0]=2 232 B7R1.1 CCC1=NCCN1 5611AL [0,1,0,1,0,0|1,0,1]=4 233 B7R1.1 CNC1CCCC1 W8261 [0,1,0,1,0,0|1,0,0]=3 234 B7R1.1 CNC1CCCC1 Z4480 [0,1,0,1,0,0|1,0,0]=3 235 B7R1.1 COC1=NCCC1 7443AB [0,1,0,1,0,0|0,1,1]=4 236 B7R1.1 COC1CCNC1 Z2737 [0,1,0,1,0,0|0,1,0]=3 237 B7R1.1 CO[C@@H]1CCNC1 Z4777 [0,1,0,1,0,0|0,1,0]=3 238 B7R1.1 CO[C@H]1CCNC1 Z5035 [0,1,0,1,0,0|0,1,0]=3 239 B7R1.1 ICC1CCOC1 3884AL [0,1,0,1,0,0|1,1,0]=4 240 B7R1.1 NCC1CCCC1 W7173 [0,1,0,1,0,0|1,0,0]=3 241 B7R1.1 NCC1CCCN1 W7106 [0,1,0,1,0,0|1,0,0]=3 242 B7R1.1 NCC1CCCN1 W7375 [0,1,0,1,0,0|1,0,0]=3 243 B7R1.1 NC[C@@H]1CCCN1 0819AA [0,1,0,1,0,0|1,0,0]=3 244 B7R1.1 NC[C@H]1CCCN1 Z3950 [0,1,0,1,0,0|1,0,0]=3 245 B7R1.1 NNC1CCCC1 W7612 [0,1,0,1,0,0|1,0,0]=3 246 B7R1.1 OC[C@@H]1CCNC1 4311AA [0,1,0,1,0,0|2,0,0]=4 247 B7R1.1 OC[C@@H]1CCNC1 Z7301 [0,1,0,1,0,0|2,0,0]=4 248 B7R1.1 OC[C@@H]1CCOC1 4598AA [0,1,0,1,0,0|1,1,0]=4 249 B7R1.1 OC[C@H]1CCNC1 1914AA [0,1,0,1,0,0|2,0,0]=4 250 B7R1.2 CC1CCC(=O)N1 1659AA [0,1,0,1,0,0|1,0,1]=4 251 B7R1.2 CN1CCC(N)C1 9936AH [0,1,0,1,0,0|1,0,0]=3 252 B7R1.2 CN1CCC(N)C1 X9823 [0,1,0,1,0,0|1,0,0]=3 253 B7R1.2 CN1CC[C@@H](N)C1 3935AE [0,1,0,1,0,0|1,0,0]=3 254 B7R1.2 NC1CCC(O)C1 X9254 [0,1,0,1,0,0|1,0,0]=3 255 B7R1.2 N[C@@H]1CC[C@H](O)C1 4920AA [0,1,0,1,0,0|1,0,0]=3 256 B7R1.2 OC1CCC(O)C1 7614AJ [0,1,0,1,0,0|2,0,0]=4 257 B7R1.3 BrC1CCCOC1 X9769 [0,1,0,1,0,0|1,1,0]=4 258 B7R1.3 BrC1CCOCC1 W4892 [0,1,0,1,0,0|1,1,0]=4 259 B7R1.3 CC1=CCCNC1 V9748 [0,1,0,1,0,0|1,0,1]=4 260 B7R1.3 CC1COCCN1 W6211 [0,1,0,1,0,0|1,0,0]=3 261 B7R1.3 CN1CCNCC1 4120AB [0,1,0,1,0,0|2,0,0]=4 262 B7R1.3 C[C@@H]1CNCCO1 8974AH [0,1,0,1,0,0|2,0,0]=4 263 B7R1.3 C[C@@H]1CNCCO1 W3662 [0,1,0,1,0,0|2,0,0]=4 264 B7R1.3 C[C@@H]1COCCN1 X4857 [0,1,0,1,0,0|1,0,0]=3 265 B7R1.3 C[C@H]1CNCCO1 W8218 [0,1,0,1,0,0|2,0,0]=4 266 B7R1.3 C[C@H]1COCCN1 X4748 [0,1,0,1,0,0|1,0,0]=3 267 B7R1.3 ClC1CCNCC1 7684AB [0,1,0,1,0,0|1,0,0]=3 268 B7R1.3 ClC1CCNCC1 Q214 [0,1,0,1,0,0|1,0,0]=3 269 B7R1.3 NC1CCCNC1 5237AE [0,1,0,1,0,0|1,0,0]=3 270 B7R1.3 NC1CCCOC1 X9447 [0,1,0,1,0,0|0,1,0]=3 271 B7R1.3 NC1CCSCC1 W4711 [0,1,0,1,0,0|0,0,0]=2 272 B7R1.3 NN1CCCCC1 O184 [0,1,0,1,0,0|1,0,0]=3 273 B7R1.3 N[C@@H]1CCCOC1 5857AA [0,1,0,1,0,0|0,1,0]=3 274 B7R1.3 O=C1CCCNC1 7001AB [0,1,0,1,0,0|1,0,0]=3 275 B7R1.3 O=C1CCCSC1 Z4344 [0,1,0,1,0,0|1,0,0]=3 276 B7R1.3 O=C1CCNCC1 5781AB [0,1,0,1,0,0|1,0,1]=4 277 B7R1.3 OC1CCSCC1 W5218 [0,1,0,1,0,0|1,0,0]=3 278 B7R1.3 O[C@@H]1CCCNC1 9408AB [0,1,0,1,0,0|1,0,0]=3 279 B7R1.4 CC1CCNC1=O Y8455 [0,1,0,1,0,0|2,0,0]=4 280 B7R1.4 CC1CSCC1=O 6972AB [0,1,0,1,0,0|1,0,1]=4 281 B7R1.4 CC1SCCC1=O 6512AA [0,1,0,1,0,0|1,0,1]=4 282 B7R1.4 CN1CCCC1=S 4914AL [0,1,0,1,0,0|2,0,0]=4 283 B7R1.4 NC1CCCC1O W9232 [0,1,0,1,0,0|1,0,0]=3 284 B7R1.4 NC1CCNC1=O 0020AD [0,1,0,1,0,0|1,0,1]=4 285 B7R1.4 N[C@@H]1CCC[C@@H]1O V0969 [0,1,0,1,0,0|1,0,0]=3 286 B7R1.4 N[C@@H]1CCC[C@H]1O V0968 [0,1,0,1,0,0|1,0,0]=3 287 B7R1.4 N[C@@H]1COC[C@@H]1N X8658 [0,1,0,1,0,0|0,1,0]=3 288 B7R1.4 N[C@@H]1COC[C@H]1O 4689AJ [0,1,0,1,0,0|0,1,0]=3 289 B7R1.4 N[C@H]1CCC[C@H]1O V0971 [0,1,0,1,0,0|1,0,0]=3 290 B7R1.4 OC1CCCC1O 5008AJ [0,1,0,1,0,0|2,0,0]=4 291 B7R1.4 O[C@@H]1CCC[C@H]1O 6973AB [0,1,0,1,0,0|2,0,0]=4 292 B7R1.4 O[C@H]1CNC[C@@H]1O Z5315 [0,1,0,1,0,0|2,0,0]=4 293 B7R1.6 CCOC1CNC1 V6478 [0,1,0,1,0,0|2,0,0]=4 294 B7R1.6 COCC1CNC1 2582AD [0,1,0,1,0,0|0,1,0]=3 295 B7R1.6 COCC1CNC1 Z5376 [0,1,0,1,0,0|0,1,0]=3 296 B7R1.6 OCCC1COC1 1983AB [0,1,0,1,0,0|1,1,0]=4 297 B7R1.10 CCN1CC(N)C1 9834AH [0,1,0,1,0,0|2,0,0]=4 298 B7R1.10 OCC1CC(Cl)C1 8034AA [0,1,0,1,0,0|2,0,0]=4 299 B7R1.25 CC1(CI)COC1 Z7396 [0,1,0,1,0,0|1,1,0]=4 300 B7R1.25 CC1(CN)COC1 W3338 [0,1,0,1,0,0|0,1,0]=3 301 B7R1.25 CC1(CO)CSC1 5905AE [0,1,0,1,0,0|1,0,0]=3 302 B7R1.25 NCC1(O)CCC1 W3913 [0,1,0,1,0,0|1,0,0]=3 303 B7R1.7 CCCCC1CO1 4465AL [0,1,0,1,0,0|1,1,0]=4 304 B7R1.7 ClCCOC1CC1 Y8014 [0,1,0,1,0,0|2,0,0]=4 305 B7R1.14 CC1(C)CCCN1 W7438 [0,1,0,1,0,0|1,0,0]=3 306 B7R1.14 CC1(O)CCNC1 Y1200 [0,1,0,1,0,0|2,0,0]=4 307 B7R1.14 CC1(O)CCNC1 Y7315 [0,1,0,1,0,0|2,0,0]=4 308 B7R1.14 FC1(F)CCNC1 W3565 [0,1,0,1,0,0|2,0,0]=4 309 B7R1.18 CC(=O)C1CCC1 9513AD [0,1,0,1,0,0|2,0,0]=4 310 B7R1.18 CC(O)C1CCC1 W8263 [0,1,0,1,0,0|2,0,0]=4 311 B7R1.18 N=C(N)C1CCC1 1131AC [0,1,0,1,0,0|1,0,1]=4 312 B7R1.18 O=C(O)C1CCN1 X2014 [0,1,0,1,0,0|2,0,0]=4 313 B7R1.18 O=C(O)[C@@H]1CCN1 D297 [0,1,0,1,0,0|2,0,0]=4 314 B7R1.18 O=C(O)[C@H]1CCN1 Z4994 [0,1,0,1,0,0|2,0,0]=4