0 B5R0.2 C#CCCC=C T71785 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.2 C#CCCC=O 89357 [0,0,0,0,0,0|0,0,2]=2 2 B5R0.2 C#CCCCI C78094 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.2 C#CCCCN 72839 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.2 C#CCOCC C90311 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.2 C=CCCNC W16107 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.2 CCCCON 31644 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.2 CNOCCN D97505 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.2 COCCCO D77912 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.2 NCCCCCl F19552 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.2 NNCCCO AB9423 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.2 O=CCCCO 55817 [0,0,0,0,0,0|1,0,0]=1 12 B4R0.2 BrCCCBr D77913 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.2 BrCOCBr AC2225 [1,0,0,0,0,0|3,0,0]=4 14 B4R0.2 C#CCCCl C77663 [1,0,0,0,0,0|1,0,2]=4 15 B4R0.2 C#CCCI AC1965 [1,0,0,0,0,0|1,0,2]=4 16 B4R0.2 C#CCCN 31177 [1,0,0,0,0,0|1,0,2]=4 17 B4R0.2 C#CCCN 68194 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.2 C=CCNN D79874 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.2 C=C\C=C/C T71862 [1,0,0,0,0,0|0,0,3]=4 20 B4R0.2 CCCCN T70838 [1,0,0,0,0,0|1,0,0]=2 21 B4R0.2 CCONC AT14498 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.2 COCCI A50601 [1,0,0,0,0,0|2,0,0]=3 23 B4R0.2 CSCCN D73275 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.2 NCCCF 61303 [1,0,0,0,0,0|2,0,0]=3 25 B4R0.2 NCCCN T70045 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.2 NCCCS A11074 [1,0,0,0,0,0|1,1,0]=3 27 B4R0.2 N\C=C\C=O W10858 [1,0,0,0,0,0|1,0,2]=4 28 B4R0.2 OCCCO D77845 [1,0,0,0,0,0|1,0,1]=3 29 B4R0.2 OCCCS D78398 [1,0,0,0,0,0|1,0,1]=3 30 B4R0.2 SCCCBr 77989 [1,0,0,0,0,0|1,1,0]=3 31 B6R0.1 C=CC[C@H](N)CO F16846 [0,1,0,0,0,0|2,0,0]=3 32 B6R0.1 CCC[C@@H](Br)CC D78429 [0,1,0,0,0,0|1,0,1]=3 33 B6R0.1 CCC[C@H](N)CO C13482 [0,1,0,0,0,0|0,0,2]=3 34 B6R0.1 CCO[C@@H](C)CO 91003 [0,1,0,0,0,0|1,0,2]=4 35 B6R0.1 CC[C@H](S)CCO D84734 [0,1,0,0,0,0|0,0,2]=3 36 B6R0.1 COC[C@@H](O)CN 94767 [0,1,0,0,0,0|2,0,1]=4 37 B6R0.1 NCC[C@H](O)CO F51073 [0,1,0,0,0,0|1,0,2]=4 38 B6R0.1 N[C@H](CO)CCO AB10026 [0,1,0,0,0,0|1,0,2]=4 39 B6R0.1 N[C@H](CO)CCO AB10027 [0,1,0,0,0,0|1,0,2]=4 40 B6R0.1 N[C@H](CS)CCS F52529 [0,1,0,0,0,0|1,1,1]=4 41 B6R0.4 C#CCNC(C)=O 78861 [0,1,0,0,0,0|1,0,2]=4 42 B6R0.4 C#CCOC(C)C 79308 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.4 C#CCOC(N)=O 79516 [0,1,0,0,0,0|1,0,2]=4 44 B6R0.4 C=C(C)CCCBr 71968 [0,1,0,0,0,0|2,0,0]=3 45 B6R0.4 C=CCCC(=O)Cl F16765 [0,1,0,0,0,0|0,0,2]=3 46 B6R0.4 CC(=O)CCC=O P17049 [0,1,0,0,0,0|0,0,1]=2 47 B6R0.4 CC(=O)CCCBr 25631 [0,1,0,0,0,0|1,0,0]=2 48 B6R0.4 CC(=O)OCCN W11955 [0,1,0,0,0,0|2,0,0]=3 49 B6R0.4 CC(C)CCC=O 31143 [0,1,0,0,0,0|0,0,0]=1 50 B6R0.4 CC(C)OCCBr 33996 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.4 CC(C)OCCN T71353 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.4 CCOCC(=O)O D73862 [0,1,0,0,0,0|1,0,0]=2 53 B6R0.4 CCOC[C@H](C)N 75202 [0,1,0,0,0,0|2,0,1]=4 54 B6R0.4 COC=CC(=O)O D97266 [0,1,0,0,0,0|1,0,2]=4 55 B6R0.4 C[C@H](Cl)CCCCl A11066 [0,1,0,0,0,0|1,0,1]=3 56 B6R0.4 NC(=O)OCCO A11395 [0,1,0,0,0,0|2,0,0]=3 57 B6R0.4 NCCCC(N)=O C72206 [0,1,0,0,0,0|1,0,0]=2 58 B6R0.4 O=C(O)\C=C\CCl 11303 [0,1,0,0,0,0|1,0,2]=4 59 B6R0.4 O=C([O-])CNCO F20522 [0,1,0,0,0,0|2,0,0]=3 60 B6R0.6 BrCCNCCBr 35649 [0,1,0,0,0,0|2,0,1]=4 61 B6R0.6 C#CCCCCI C74272 [0,1,0,0,0,0|1,0,1]=3 62 B6R0.6 C#CCCCCN 79352 [0,1,0,0,0,0|1,0,1]=3 63 B6R0.6 C=CCNCCO W12833 [0,1,0,0,0,0|2,0,0]=3 64 B6R0.6 C=COCCON 32359 [0,1,0,0,0,0|3,0,0]=4 65 B6R0.6 CC#CCCCO W16152 [0,1,0,0,0,0|0,0,3]=4 66 B6R0.6 CCOCCCBr A11082 [0,1,0,0,0,0|1,0,1]=3 67 B6R0.6 CCOCCON W15834 [0,1,0,0,0,0|2,0,0]=3 68 B6R0.6 CC\C=C/CCI 98107 [0,1,0,0,0,0|1,0,2]=4 69 B6R0.6 CNCCCCBr C74879 [0,1,0,0,0,0|1,0,1]=3 70 B6R0.6 CNCCCCN D80538 [0,1,0,0,0,0|1,0,1]=3 71 B6R0.6 ClCCOCCI 12079 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.6 N#CCCCCBr D77353 [0,1,0,0,0,0|1,0,1]=3 73 B6R0.6 NCCCCCBr 97997 [0,1,0,0,0,0|1,0,1]=3 74 B6R0.6 NCCNCCN D81398 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.6 O=NCNCCO D93315 [0,1,0,0,0,0|2,0,0]=3 76 B6R0.6 OCCCCCO D77911 [0,1,0,0,0,0|0,0,2]=3 77 B6R0.6 OCCOCCF AT25497 [0,1,0,0,0,0|1,0,2]=4 78 B6R1.1 C1CCNNC1 71659 [0,0,0,1,0,0|2,0,0]=3 79 B6R1.2 C=C1CCNC1 F13598 [0,0,0,1,0,0|2,0,0]=3 80 B6R1.2 C[C@H]1CCNC1 69327 [0,0,0,1,0,0|2,0,0]=3 81 B6R1.2 C[C@H]1CCSC1 70016 [0,0,0,1,0,0|2,0,0]=3 82 B6R1.2 Cl[C@H]1CCNC1 W15835 [0,0,0,1,0,0|2,0,1]=4 83 B6R1.2 Cl[C@H]1CCOC1 N12419 [0,0,0,1,0,0|2,0,1]=4 84 B6R1.2 F[C@H]1CCNC1 P10396 [0,0,0,1,0,0|2,0,1]=4 85 B6R1.2 F[C@H]1CCNC1 P10397 [0,0,0,1,0,0|2,0,1]=4 86 B6R1.2 IC1=COCC1 P19286 [0,0,0,1,0,0|2,0,1]=4 87 B6R1.2 I[C@H]1CCOC1 37310 [0,0,0,1,0,0|2,0,1]=4 88 B6R1.2 I[C@H]1CCOC1 37311 [0,0,0,1,0,0|2,0,1]=4 89 B6R1.2 NC1=NCCO1 53947 [0,0,0,1,0,0|3,0,0]=4 90 B6R1.2 NN1CCCC1 F13227 [0,0,0,1,0,0|2,0,0]=3 91 B6R1.2 NN1CCCC1 S12058 [0,0,0,1,0,0|2,0,0]=3 92 B6R1.2 N[C@H]1CCSC1 70834 [0,0,0,1,0,0|2,0,1]=4 93 B6R1.2 O=C1C=CCN1 AC1277 [0,0,0,1,0,0|1,0,2]=4 94 B6R1.2 O=C1CNCN1 25530 [0,0,0,1,0,0|2,0,0]=3 95 B6R1.2 O[C@H]1CCSC1 50208 [0,0,0,1,0,0|1,0,2]=4 96 B6R1.3 BrC#CC1CC1 31752 [0,0,0,1,0,0|1,0,2]=4 97 B6R1.3 BrCCC1CC1 32177 [0,0,0,1,0,0|1,0,1]=3 98 B6R1.3 BrCC[C@H]1CO1 F20905 [0,0,0,1,0,0|1,0,2]=4 99 B6R1.3 C#CCC1CC1 70830 [0,0,0,1,0,0|1,0,1]=3 100 B6R1.3 CNCC1CC1 P11100 [0,0,0,1,0,0|2,0,0]=3 101 B6R1.3 ICCC1CC1 73383 [0,0,0,1,0,0|1,0,1]=3 102 B6R1.3 NNCC1CC1 P11241 [0,0,0,1,0,0|2,0,0]=3 103 B6R1.3 NOCC1CC1 59190 [0,0,0,1,0,0|2,0,0]=3 104 B6R1.3 O=CCC1CC1 P10743 [0,0,0,1,0,0|0,0,0]=1 105 B6R1.4 CC1NCC1F P20228 [0,0,0,1,0,0|2,0,1]=4 106 B6R1.4 CC1OCC1O P16543 [0,0,0,1,0,0|1,0,2]=4 107 B6R1.4 C[C@@H]1OCC1=O P16003 [0,0,0,1,0,0|1,0,0]=2 108 B6R1.4 C[C@H]1CCC1=O W18267 [0,0,0,1,0,0|0,0,0]=1 109 B6R1.4 C[C@H]1CNC1=O P20594 [0,0,0,1,0,0|1,0,0]=2 110 B6R1.4 C[C@H]1NC[C@@H]1F P20392 [0,0,0,1,0,0|2,0,1]=4 111 B6R1.4 C[C@H]1NC[C@@H]1O D79131 [0,0,0,1,0,0|1,0,2]=4 112 B6R1.4 C[C@H]1NC[C@@H]1O P18430 [0,0,0,1,0,0|1,0,2]=4 113 B6R1.4 NC1CCC1F P20418 [0,0,0,1,0,0|2,0,1]=4 114 B6R1.4 NC1CCC1O 94999 [0,0,0,1,0,0|1,0,2]=4 115 B6R1.4 N[C@@H]1CC[C@@H]1O P18786 [0,0,0,1,0,0|1,0,2]=4 116 B6R1.4 O=C1CC[C@@H]1Br P18435 [0,0,0,1,0,0|1,0,0]=2 117 B6R1.4 OC1CCC1O D79179 [0,0,0,1,0,0|1,0,2]=4 118 B6R1.4 O[C@H]1CC[C@@H]1O P21043 [0,0,0,1,0,0|1,0,2]=4 119 B6R1.6 BrC[C@H]1CCO1 28585 [0,0,0,1,0,0|1,0,2]=4 120 B6R1.6 BrC[C@H]1CCO1 D97141 [0,0,0,1,0,0|1,0,2]=4 121 B6R1.6 BrC[C@H]1CCO1 P21121 [0,0,0,1,0,0|1,0,2]=4 122 B6R1.6 C#C[C@@H]1CCO1 P18800 [0,0,0,1,0,0|2,0,1]=4 123 B6R1.6 CNC1CCC1 20929 [0,0,0,1,0,0|2,0,0]=3 124 B6R1.6 CSC1CNC1 37205 [0,0,0,1,0,0|3,0,0]=4 125 B6R1.6 FCC1CNC1 86811 [0,0,0,1,0,0|2,0,1]=4 126 B6R1.6 N#CC1CNC1 CS1269 [0,0,0,1,0,0|2,0,1]=4 127 B6R1.6 N#CC1COC1 81313 [0,0,0,1,0,0|2,0,1]=4 128 B6R1.6 N#C[C@@H]1CCN1 P18399 [0,0,0,1,0,0|2,0,1]=4 129 B6R1.6 NCC1CNC1 26899 [0,0,0,1,0,0|2,0,1]=4 130 B6R1.6 NC[C@H]1CCN1 20184 [0,0,0,1,0,0|2,0,1]=4 131 B6R1.6 NC[C@H]1CCO1 P20441 [0,0,0,1,0,0|1,0,2]=4 132 B6R1.6 NNC1CCC1 AB1362 [0,0,0,1,0,0|2,0,0]=3 133 B6R1.6 NNC1CCC1 BL010353 [0,0,0,1,0,0|2,0,0]=3 134 B6R1.6 NNC1CNC1 BL010350 [0,0,0,1,0,0|3,0,0]=4 135 B6R1.6 NNC1COC1 BL010351 [0,0,0,1,0,0|3,0,0]=4 136 B6R1.6 NNC1CSC1 BL010352 [0,0,0,1,0,0|3,0,0]=4 137 B6R1.6 O=CC1COC1 84841 [0,0,0,1,0,0|1,0,0]=2 138 B6R1.6 OCC1CNC1 65945 [0,0,0,1,0,0|1,0,2]=4 139 B6R1.6 OC[C@H]1CCN1 36269 [0,0,0,1,0,0|1,0,2]=4 140 B6R1.6 OC[C@H]1CCN1 38353 [0,0,0,1,0,0|1,0,2]=4 141 B6R1.6 OC[C@H]1CCN1 38354 [0,0,0,1,0,0|1,0,2]=4 142 B6R1.6 OC[C@H]1CCO1 26540 [0,0,0,1,0,0|1,0,2]=4 143 B6R1.6 OC[C@H]1CCO1 AT10832 [0,0,0,1,0,0|1,0,2]=4 144 B6R1.6 OC[C@H]1CCO1 P19736 [0,0,0,1,0,0|1,0,2]=4 145 B6R1.8 C[C@H]1C[C@@H]1CO 72702 [0,0,0,1,0,0|0,0,2]=3 146 B6R1.8 OC[C@H]1C[C@@H]1F CS3459 [0,0,0,1,0,0|1,0,2]=4 147 B3R0.1 CCNN D79778 [2,0,0,0,0,0|2,0,0]=4 148 B3R0.1 CCON C13232 [2,0,0,0,0,0|2,0,0]=4 149 B3R0.1 C[Se][Se]C H10908 [2,0,0,0,0,0|2,0,0]=4 150 B3R0.1 ClCCI T71139 [2,0,0,0,0,0|2,0,0]=4 151 B3R0.1 NCCN A12036 [2,0,0,0,0,0|2,0,0]=4 152 B3R0.1 NCCN T72722 [2,0,0,0,0,0|2,0,0]=4 153 B5R0.1 C=CC[C@H](C)O 71459 [1,1,0,0,0,0|0,0,1]=3 154 B5R0.1 C=CC[C@H](C)O A12634 [1,1,0,0,0,0|0,0,1]=3 155 B5R0.1 CCC[C@H](C)N P14575 [1,1,0,0,0,0|0,0,1]=3 156 B5R0.1 CCC[C@H](C)N Y10887 [1,1,0,0,0,0|0,0,1]=3 157 B5R0.1 CCOC(N)=S A11227 [1,1,0,0,0,0|1,1,0]=4 158 B5R0.1 CN(C)CC=O D88083 [1,1,0,0,0,0|1,0,0]=3 159 B5R0.1 CN(C)CCO D93012 [1,1,0,0,0,0|1,0,1]=4 160 B5R0.1 CNCC(=O)[O-] F20742 [1,1,0,0,0,0|1,0,0]=3 161 B5R0.1 CNCC(F)F D86102 [1,1,0,0,0,0|2,0,0]=4 162 B5R0.1 CNC[C@H](C)O AC1157 [1,1,0,0,0,0|1,0,1]=4 163 B5R0.1 CNC[C@H](C)O N12528 [1,1,0,0,0,0|1,0,1]=4 164 B5R0.1 COC[C@H](C)Br 78860 [1,1,0,0,0,0|1,0,1]=4 165 B5R0.1 COC[C@H](C)N 25526 [1,1,0,0,0,0|1,0,1]=4 166 B5R0.1 COC[C@H](C)N D95458 [1,1,0,0,0,0|1,0,1]=4 167 B5R0.1 COC[C@H](C)N W17998 [1,1,0,0,0,0|1,0,1]=4 168 B5R0.1 C[C@H](N)CC#N 12486 [1,1,0,0,0,0|1,0,1]=4 169 B5R0.1 C[C@H](O)CC#N 87623 [1,1,0,0,0,0|1,0,1]=4 170 B5R0.1 C[C@H](O)CCN 83616 [1,1,0,0,0,0|1,0,0]=3 171 B5R0.1 C[C@H](O)CON O10313 [1,1,0,0,0,0|2,0,0]=4 172 B5R0.1 C[S+](C)CCCl 77752 [1,1,0,0,0,0|2,0,0]=4 173 B5R0.1 N#CCC(=O)[O-] D70707 [1,1,0,0,0,0|1,0,1]=4 174 B5R0.1 NCCC(F)F D77085 [1,1,0,0,0,0|2,0,0]=4 175 B5R0.1 OCCC(F)F P18054 [1,1,0,0,0,0|1,0,1]=4 176 B5R0.3 C=C[C@@H](N)CO 52208 [1,1,0,0,0,0|1,0,1]=4 177 B5R0.3 C=C[C@@H](N)CO 52209 [1,1,0,0,0,0|1,0,1]=4 178 B5R0.3 C=C[C@@H](N)CO 52211 [1,1,0,0,0,0|1,0,1]=4 179 B5R0.3 C=C[C@@H](O)CO 56500 [1,1,0,0,0,0|1,0,1]=4 180 B5R0.3 CCC(=O)CN S11993 [1,1,0,0,0,0|1,0,1]=4 181 B5R0.3 CC[C@H](C)CN 88665 [1,1,0,0,0,0|1,0,0]=3 182 B5R0.3 CC[C@H](N)C#N 98383 [1,1,0,0,0,0|1,0,1]=4 183 B5R0.3 CC[PH](=O)CC C77650 [1,1,0,0,0,0|1,0,1]=4 184 B5R0.3 CN[C@@H](C)CO AC8719 [1,1,0,0,0,0|1,0,1]=4 185 B5R0.3 CN[C@@H](C)CO C77593 [1,1,0,0,0,0|1,0,1]=4 186 B5R0.3 CN[C@@H](C)CO D80042 [1,1,0,0,0,0|1,0,1]=4 187 B5R0.3 CN[C@@H](C)CO D80344 [1,1,0,0,0,0|1,0,1]=4 188 B5R0.3 CN[C@@H](C)CO D82586 [1,1,0,0,0,0|1,0,1]=4 189 B5R0.3 CO[C@@H](C)CN 91001 [1,1,0,0,0,0|2,0,0]=4 190 B5R0.3 CO[C@@H](C)CO 91002 [1,1,0,0,0,0|1,0,1]=4 191 B5R0.3 C[C@@H](CN)CCl 72948 [1,1,0,0,0,0|2,0,0]=4 192 B5R0.3 C[C@@H](CO)CBr AB3182 [1,1,0,0,0,0|1,0,1]=4 193 B5R0.3 FCC(I)CF AC4509 [1,1,0,0,0,0|2,0,0]=4 194 B5R0.3 NC[C@H](Br)CBr AC1488 [1,1,0,0,0,0|2,0,0]=4 195 B5R0.3 NC[C@H](F)CO 94841 [1,1,0,0,0,0|1,0,1]=4 196 B5R0.3 NC[C@H](F)CO 94845 [1,1,0,0,0,0|1,0,1]=4 197 B5R0.3 NC[C@H](F)CO 94846 [1,1,0,0,0,0|1,0,1]=4 198 B5R0.3 NC[C@H](O)CCl C10413 [1,1,0,0,0,0|2,0,0]=4 199 B5R0.3 NC[C@H](O)CF 94771 [1,1,0,0,0,0|2,0,0]=4 200 B5R0.3 OC[C@H](O)CF 65949 [1,1,0,0,0,0|1,0,1]=4 201 B5R0.3 OC[C@H](O)CF F14582 [1,1,0,0,0,0|1,0,1]=4 202 B7R0.2 C=C[C@@H](O)CC(C)C A12558 [0,2,0,0,0,0|1,0,0]=3 203 B7R0.2 CC(C)CN(C)N=O D93466 [0,2,0,0,0,0|2,0,0]=4 204 B7R0.2 CC[C@H](C)CC(=O)O 63986 [0,2,0,0,0,0|0,0,0]=2 205 B7R0.2 CC[C@H](C)CC(C)=O A11862 [0,2,0,0,0,0|0,0,0]=2 206 B7R0.2 CC[C@H](N)CC(=O)O 51922 [0,2,0,0,0,0|0,0,0]=2 207 B7R0.2 CC[C@H](N)CC(=O)O 52000 [0,2,0,0,0,0|0,0,0]=2 208 B7R0.2 CC[C@H](O)CC(=O)O C14017 [0,2,0,0,0,0|0,0,0]=2 209 B7R0.2 COC(C)CC(C)O 78061 [0,2,0,0,0,0|2,0,0]=4 210 B7R0.2 N[C@H](CO)CC(=O)O D95019 [0,2,0,0,0,0|1,0,0]=3 211 B7R0.2 N[C@H](CO)CC(=O)O F14029 [0,2,0,0,0,0|1,0,0]=3 212 B7R0.3 C#CCCC(=O)OC AT21755 [0,2,0,0,0,0|0,0,2]=4 213 B7R0.3 C=CC(=O)NCCC AB9941 [0,2,0,0,0,0|1,0,0]=3 214 B7R0.3 C=CCCC(=O)OC AT23749 [0,2,0,0,0,0|0,0,2]=4 215 B7R0.3 CCC(=O)OCCO A11774 [0,2,0,0,0,0|2,0,0]=4 216 B7R0.3 CNCCC(=O)OC AB11809 [0,2,0,0,0,0|1,0,0]=3 217 B7R0.3 COC(=O)CCCI F19766 [0,2,0,0,0,0|1,0,0]=3 218 B7R0.5 C#CC[C@H](N)C(=O)O C73254 [0,2,0,0,0,0|0,0,2]=4 219 B7R0.5 C#CC[C@H](N)C(=O)O F12349 [0,2,0,0,0,0|0,0,2]=4 220 B7R0.5 C=CC[C@H](N)C(=O)O 67602 [0,2,0,0,0,0|0,0,2]=4 221 B7R0.5 CC(=O)[C@@H](Cl)CCO 74627 [0,2,0,0,0,0|1,0,0]=3 222 B7R0.5 CC(C)[C@@H](O)CCN 83602 [0,2,0,0,0,0|1,0,1]=4 223 B7R0.5 CCCC(Br)C(C)Br D81745 [0,2,0,0,0,0|1,0,1]=4 224 B7R0.5 CCC[C@H](O)C(=O)O 77792 [0,2,0,0,0,0|0,0,0]=2 225 B7R0.5 CNC[C@H](N)C(=O)O N10392 [0,2,0,0,0,0|1,0,0]=3 226 B7R0.5 COC[C@H](Br)C(=O)O C76037 [0,2,0,0,0,0|1,0,0]=3 227 B7R0.5 COC[C@H](Cl)C(=O)O T70661 [0,2,0,0,0,0|1,0,0]=3 228 B7R0.5 C[Se]C[C@H](N)C(=O)O D95282 [0,2,0,0,0,0|1,0,0]=3 229 B7R0.5 NCC[C@H](F)C(=O)O D71941 [0,2,0,0,0,0|1,0,0]=3 230 B7R0.5 NCC[C@H](N)C(=O)O FD1070 [0,2,0,0,0,0|1,0,0]=3 231 B7R0.5 N[C@@H](CCS)C(=O)O C11384 [0,2,0,0,0,0|1,0,0]=3 232 B7R0.5 N[C@@H](CCS)C(=O)O I11579 [0,2,0,0,0,0|1,0,0]=3 233 B7R0.7 CCC[C@H](Br)CCBr D94373 [0,2,0,0,0,0|1,0,1]=4 234 B7R0.7 CCC[C@H](N)CCO AT20461 [0,2,0,0,0,0|0,0,2]=4 235 B7R0.7 CCC[C@H](N)CCO I11080 [0,2,0,0,0,0|0,0,2]=4 236 B7R0.7 CCC[C@H](N)CCO N12794 [0,2,0,0,0,0|0,0,2]=4 237 B7R0.7 COC[C@@H](N)CCO AT12992 [0,2,0,0,0,0|0,0,2]=4 238 B7R0.10 CCC(C)[C@H](N)C#N AR2444 [0,2,0,0,0,0|1,0,1]=4 239 B7R0.10 CC[C@@H](C)[C@@H](N)CO 73347 [0,2,0,0,0,0|0,0,2]=4 240 B7R0.11 CCC(C)(C)CCCl F50555 [0,2,0,0,0,0|1,0,1]=4 241 B7R0.11 CCCC(C)(C)C#N T70545 [0,2,0,0,0,0|1,0,1]=4 242 B7R0.11 CCC[C@](C)(N)C#N 20848 [0,2,0,0,0,0|1,0,1]=4 243 B7R0.12 CCCC(CO)CO AB7729 [0,2,0,0,0,0|0,0,2]=4 244 B7R0.4 C=CCNCC(F)F W17677 [0,2,0,0,0,0|2,0,0]=4 245 B7R0.4 CC(=O)CCCCBr O11558 [0,2,0,0,0,0|0,0,0]=2 246 B7R0.4 CC(=O)OCCCBr C75766 [0,2,0,0,0,0|1,0,0]=3 247 B7R0.4 CC(C)CCCCBr C74820 [0,2,0,0,0,0|1,0,1]=4 248 B7R0.4 CCCNCC(C)C AC1640 [0,2,0,0,0,0|1,0,1]=4 249 B7R0.4 CCCOCC(=O)O AC1647 [0,2,0,0,0,0|0,0,0]=2 250 B7R0.4 CCNCCC(N)=O AT24732 [0,2,0,0,0,0|0,0,0]=2 251 B7R0.4 CN(C)CCCCCl W16936 [0,2,0,0,0,0|1,0,1]=4 252 B7R0.4 CNCCCC(N)=O 21232 [0,2,0,0,0,0|0,0,0]=2 253 B7R0.4 COCCCC(=O)O 78063 [0,2,0,0,0,0|0,0,0]=2 254 B7R0.4 COCCNC(N)=S T71533 [0,2,0,0,0,0|1,1,0]=4 255 B7R0.4 C[C@H](Cl)CCCCCl A12620 [0,2,0,0,0,0|1,0,1]=4 256 B7R0.4 NCCNCC(=O)O FD21628 [0,2,0,0,0,0|1,0,0]=3 257 B7R0.4 O=C([O-])COCCO A11454 [0,2,0,0,0,0|1,0,0]=3 258 B7R0.6 CC(=O)NNC(C)C F19849 [0,2,0,0,0,0|2,0,0]=4 259 B7R0.6 CC(C)=CCC(=O)O 24307 [0,2,0,0,0,0|0,0,2]=4 260 B7R0.6 CC(C)CC[N+](=O)[O-] AC1797 [0,2,0,0,0,0|1,0,0]=3 261 B7R0.6 C[C@H](Cl)CCC(=O)Cl W17602 [0,2,0,0,0,0|0,0,0]=2 262 B7R0.6 C[C@H](O)CCC(=O)[O-] AC8853 [0,2,0,0,0,0|0,0,0]=2 263 B7R0.6 C[C@H](O)CC[C@H](C)O F17009 [0,2,0,0,0,0|0,0,2]=4 264 B7R0.6 C[S+](C)CCC(=O)O T70554 [0,2,0,0,0,0|1,0,0]=3 265 B7R0.6 O=C(O)CCC(=O)O D85169 [0,2,0,0,0,0|1,0,1]=4 266 B7R0.8 CC(C)(O)CCCN 31824 [0,2,0,0,0,0|1,0,1]=4 267 B7R0.8 CC(C)(O)CCCO AB7595 [0,2,0,0,0,0|0,0,2]=4 268 B7R0.8 CNCCS(=O)(=O)O A10810 [0,2,0,0,0,0|2,0,0]=4 269 B7R0.8 CS(=O)(=O)CCCCl Y14711 [0,2,0,0,0,0|2,0,0]=4 270 B7R0.8 CS(=O)(=O)CCCN D70786 [0,2,0,0,0,0|2,0,0]=4 271 B7R0.8 NCCCS(N)(=O)=O AC1738 [0,2,0,0,0,0|2,0,0]=4 272 B7R0.8 O=P(O)(O)CCCBr T70133 [0,2,0,0,0,0|2,0,0]=4 273 B7R0.1 C=CCCCCNC R10008 [0,2,0,0,0,0|1,0,0]=3 274 B7R0.1 C=CCCCN=C=S T71958 [0,2,0,0,0,0|1,0,1]=4 275 B7R0.1 CCCNCCCO AB4057 [0,2,0,0,0,0|0,0,2]=4 276 B7R0.1 CNCCOCCO C70229 [0,2,0,0,0,0|0,0,2]=4 277 B7R0.1 COCCOCCI AT13077 [0,2,0,0,0,0|1,0,1]=4 278 B7R0.1 COCOCCC=O 32199 [0,2,0,0,0,0|0,0,0]=2 279 B7R0.1 FCCCCCCBr A50948 [0,2,0,0,0,0|1,0,1]=4 280 B7R0.1 N#CCCNCCO D94844 [0,2,0,0,0,0|1,0,1]=4 281 B7R0.1 N#CCCOCCO Y11313 [0,2,0,0,0,0|1,0,1]=4 282 B7R0.1 NCCCCCCBr D83295 [0,2,0,0,0,0|1,0,1]=4 283 B7R0.1 NCCCCCCS F31196 [0,2,0,0,0,0|0,1,1]=4 284 B7R0.1 NCCCNCCS W12623 [0,2,0,0,0,0|0,1,1]=4 285 B7R0.1 NCCCOCCO W11222 [0,2,0,0,0,0|0,0,2]=4 286 B7R0.1 O=CNCCNC=O D86921 [0,2,0,0,0,0|1,0,1]=4 287 B5R1.1 C1=CCSC1 F20684 [1,0,0,1,0,0|1,0,1]=4 288 B5R1.1 C1CNNC1 26256 [1,0,0,1,0,0|2,0,0]=4 289 B5R1.1 C1COCN1 A51210 [1,0,0,1,0,0|1,0,1]=4 290 B5R1.2 C=C1COC1 P17999 [1,0,0,1,0,0|1,0,1]=4 291 B5R1.2 C[C@H]1CCN1 98100 [1,0,0,1,0,0|1,0,0]=3 292 B5R1.2 C[C@H]1CCN1 P21034 [1,0,0,1,0,0|1,0,0]=3 293 B5R1.2 ClC1CCC1 T70092 [1,0,0,1,0,0|1,0,0]=3 294 B5R1.2 ClC1CNC1 37968 [1,0,0,1,0,0|2,0,0]=4 295 B5R1.2 ClC1COC1 CS1986 [1,0,0,1,0,0|2,0,0]=4 296 B5R1.2 FC1CNC1 SC2901 [1,0,0,1,0,0|2,0,0]=4 297 B5R1.2 IC1CCC1 P17114 [1,0,0,1,0,0|1,0,0]=3 298 B5R1.2 NC1CSC1 39038 [1,0,0,1,0,0|2,0,0]=4 299 B5R1.2 SC1CNC1 38596 [1,0,0,1,0,0|1,1,0]=4 300 B5R1.2 SC1COC1 32902 [1,0,0,1,0,0|1,1,0]=4 301 B5R1.3 ICC1CC1 P19124 [1,0,0,1,0,0|1,0,0]=3 302 B5R1.3 NNC1CC1 26649 [1,0,0,1,0,0|2,0,0]=4 303 B5R1.3 NNC1CC1 BL010354 [1,0,0,1,0,0|2,0,0]=4 304 B5R1.4 CC1CC1N 72192 [1,0,0,1,0,0|1,0,0]=3 305 B5R1.4 CC1CC1N 72742 [1,0,0,1,0,0|1,0,0]=3 306 B5R1.4 N[C@@H]1C[C@@H]1F D79320 [1,0,0,1,0,0|2,0,0]=4 307 B5R1.4 N[C@@H]1C[C@@H]1F P17919 [1,0,0,1,0,0|2,0,0]=4 308 B5R1.4 N[C@@H]1C[C@@H]1O C93526 [1,0,0,1,0,0|1,0,1]=4 309 B5R1.4 N[C@H]1C[C@@H]1F CS3399 [1,0,0,1,0,0|2,0,0]=4 310 B5R1.4 N[C@H]1C[C@@H]1N P18270 [1,0,0,1,0,0|2,0,0]=4 311 B7R1.1 BrCC1=CCCC1 37275 [0,1,0,1,0,0|1,0,1]=4 312 B7R1.1 BrC[C@H]1CCOC1 84096 [0,1,0,1,0,0|1,0,1]=4 313 B7R1.1 C=CC1CCCC1 T72385 [0,1,0,1,0,0|1,0,0]=3 314 B7R1.1 CC[C@H]1CCCN1 F16886 [0,1,0,1,0,0|1,0,1]=4 315 B7R1.1 CC[C@H]1CCNC1 P14869 [0,1,0,1,0,0|1,0,1]=4 316 B7R1.1 CN[C@H]1CCOC1 P18534 [0,1,0,1,0,0|2,0,0]=4 317 B7R1.1 CN[C@H]1CCOC1 P18535 [0,1,0,1,0,0|2,0,0]=4 318 B7R1.1 COC1=CCCC1 D93350 [0,1,0,1,0,0|0,0,2]=4 319 B7R1.1 CO[C@H]1CCNC1 26935 [0,1,0,1,0,0|2,0,0]=4 320 B7R1.1 CO[C@H]1CCNC1 P10862 [0,1,0,1,0,0|2,0,0]=4 321 B7R1.1 FC[C@H]1CCCN1 37688 [0,1,0,1,0,0|1,0,1]=4 322 B7R1.1 FC[C@H]1CCCN1 P11073 [0,1,0,1,0,0|1,0,1]=4 323 B7R1.1 FC[C@H]1CCNC1 P18731 [0,1,0,1,0,0|1,0,1]=4 324 B7R1.1 N#C[C@@H]1CCCN1 37678 [0,1,0,1,0,0|1,0,1]=4 325 B7R1.1 N#C[C@@H]1CCCN1 68253 [0,1,0,1,0,0|1,0,1]=4 326 B7R1.1 N#C[C@@H]1CCCN1 68254 [0,1,0,1,0,0|1,0,1]=4 327 B7R1.1 N#C[C@@H]1CCCO1 31513 [0,1,0,1,0,0|1,0,1]=4 328 B7R1.1 N#C[C@H]1CCNC1 81493 [0,1,0,1,0,0|1,0,1]=4 329 B7R1.1 N#C[C@H]1CCNC1 81538 [0,1,0,1,0,0|1,0,1]=4 330 B7R1.1 N#C[C@H]1CCNC1 82703 [0,1,0,1,0,0|1,0,1]=4 331 B7R1.1 N#C[C@H]1CCOC1 39230 [0,1,0,1,0,0|1,0,1]=4 332 B7R1.1 N#C[C@H]1CCOC1 P12891 [0,1,0,1,0,0|1,0,1]=4 333 B7R1.1 NCC1CCCC1 P10292 [0,1,0,1,0,0|1,0,1]=4 334 B7R1.1 NC[C@H]1CCCN1 83159 [0,1,0,1,0,0|1,0,1]=4 335 B7R1.1 NC[C@H]1CCCO1 83007 [0,1,0,1,0,0|0,0,2]=4 336 B7R1.1 NC[C@H]1CCCO1 S11127 [0,1,0,1,0,0|0,0,2]=4 337 B7R1.1 NC[C@H]1CCOC1 37316 [0,1,0,1,0,0|1,0,1]=4 338 B7R1.1 NC[C@H]1CCOC1 68891 [0,1,0,1,0,0|1,0,1]=4 339 B7R1.1 NC[C@H]1CCOC1 P12031 [0,1,0,1,0,0|1,0,1]=4 340 B7R1.1 NNC1CCCC1 BL010355 [0,1,0,1,0,0|1,0,1]=4 341 B7R1.1 NOC1CCCC1 97655 [0,1,0,1,0,0|0,0,2]=4 342 B7R1.1 O=CC1=CCCC1 26227 [0,1,0,1,0,0|0,0,1]=3 343 B7R1.1 O=CC1=CCCO1 D79895 [0,1,0,1,0,0|0,0,2]=4 344 B7R1.1 OC[C@H]1CCCO1 66575 [0,1,0,1,0,0|0,0,2]=4 345 B7R1.1 OC[C@H]1CCNC1 24481 [0,1,0,1,0,0|0,0,2]=4 346 B7R1.1 OC[C@H]1CCNC1 29239 [0,1,0,1,0,0|0,0,2]=4 347 B7R1.1 OC[C@H]1CCNC1 30959 [0,1,0,1,0,0|0,0,2]=4 348 B7R1.1 OC[C@H]1CCOC1 37313 [0,1,0,1,0,0|0,0,2]=4 349 B7R1.1 OC[C@H]1CCOC1 37314 [0,1,0,1,0,0|0,0,2]=4 350 B7R1.1 [C-]#[N+]C1CCCC1 T71226 [0,1,0,1,0,0|1,0,1]=4 351 B7R1.2 C=C1CCC(=O)O1 T71516 [0,1,0,1,0,0|0,0,2]=4 352 B7R1.2 CC1=CC(=O)CO1 Y10351 [0,1,0,1,0,0|1,0,1]=4 353 B7R1.2 CN1CCC(=O)C1 64220 [0,1,0,1,0,0|1,0,0]=3 354 B7R1.2 CN1CC[C@H](Br)C1 C14104 [0,1,0,1,0,0|2,0,0]=4 355 B7R1.2 CN1CC[C@H](N)C1 51282 [0,1,0,1,0,0|2,0,0]=4 356 B7R1.2 CN1CC[C@H](N)C1 51289 [0,1,0,1,0,0|2,0,0]=4 357 B7R1.2 CN1CC[C@H](N)C1 FD9067 [0,1,0,1,0,0|2,0,0]=4 358 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [0,1,0,1,0,0|1,0,0]=3 359 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13013 [0,1,0,1,0,0|1,0,1]=4 360 B7R1.2 C[C@H]1C=CC(=O)O1 A10829 [0,1,0,1,0,0|0,0,2]=4 361 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [0,1,0,1,0,0|0,0,0]=2 362 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [0,1,0,1,0,0|0,0,0]=2 363 B7R1.2 C[C@H]1CC[C@@H](C)N1 P17782 [0,1,0,1,0,0|1,0,1]=4 364 B7R1.2 C[C@H]1CC[C@H](C)N1 P19223 [0,1,0,1,0,0|1,0,1]=4 365 B7R1.2 C[C@H]1CNC(=O)O1 90054 [0,1,0,1,0,0|1,0,0]=3 366 B7R1.2 C[C@H]1COC(=O)N1 O10180 [0,1,0,1,0,0|1,0,0]=3 367 B7R1.2 C[C@H]1COC(=O)N1 W17357 [0,1,0,1,0,0|1,0,0]=3 368 B7R1.2 C[C@H]1COC(=O)O1 D77722 [0,1,0,1,0,0|1,0,0]=3 369 B7R1.2 NC1=CC(=O)CC1 90005 [0,1,0,1,0,0|0,0,2]=4 370 B7R1.2 NC1CCC(N)C1 D79385 [0,1,0,1,0,0|1,0,1]=4 371 B7R1.2 NC1CCC(O)C1 21055 [0,1,0,1,0,0|0,0,2]=4 372 B7R1.2 NC1CCC(O)C1 26425 [0,1,0,1,0,0|0,0,2]=4 373 B7R1.2 N[C@@H]1CC[C@H](F)C1 P18588 [0,1,0,1,0,0|1,0,1]=4 374 B7R1.2 N[C@@H]1CC[C@H](F)C1 P20484 [0,1,0,1,0,0|1,0,1]=4 375 B7R1.2 N[C@@H]1CC[C@H](O)C1 27526 [0,1,0,1,0,0|0,0,2]=4 376 B7R1.2 N[C@@H]1CC[C@H](O)C1 38967 [0,1,0,1,0,0|0,0,2]=4 377 B7R1.2 N[C@@H]1CC[C@H](O)C1 72087 [0,1,0,1,0,0|0,0,2]=4 378 B7R1.2 N[C@@H]1CC[C@H](O)C1 72088 [0,1,0,1,0,0|0,0,2]=4 379 B7R1.2 N[C@@H]1CC[C@H](O)C1 72349 [0,1,0,1,0,0|0,0,2]=4 380 B7R1.2 N[C@@H]1CC[C@H](O)C1 W11751 [0,1,0,1,0,0|0,0,2]=4 381 B7R1.2 N[C@@H]1CNC(=O)C1 N10626 [0,1,0,1,0,0|1,0,0]=3 382 B7R1.2 N[C@@H]1CNC(=O)C1 P12720 [0,1,0,1,0,0|1,0,0]=3 383 B7R1.2 N[C@@H]1COC(=O)C1 FD1175 [0,1,0,1,0,0|1,0,0]=3 384 B7R1.2 N[C@@H]1COC(=O)C1 W11179 [0,1,0,1,0,0|1,0,0]=3 385 B7R1.2 N[C@H]1CC[C@H](N)C1 F53332 [0,1,0,1,0,0|1,0,1]=4 386 B7R1.2 N[C@H]1CC[C@H](O)C1 27518 [0,1,0,1,0,0|0,0,2]=4 387 B7R1.2 N[C@H]1CC[C@H](O)C1 31093 [0,1,0,1,0,0|0,0,2]=4 388 B7R1.2 N[C@H]1CC[C@H](O)C1 W11748 [0,1,0,1,0,0|0,0,2]=4 389 B7R1.2 O=C1C=C(Br)CC1 W19329 [0,1,0,1,0,0|0,0,2]=4 390 B7R1.2 O=C1C=C(I)CC1 A12694 [0,1,0,1,0,0|0,0,2]=4 391 B7R1.2 O=C1CC[C@H](O)C1 P13127 [0,1,0,1,0,0|0,0,0]=2 392 B7R1.2 O=C1CNC(=O)C1 76756 [0,1,0,1,0,0|1,0,1]=4 393 B7R1.2 O=C1C[C@H](O)CO1 12464 [0,1,0,1,0,0|1,0,0]=3 394 B7R1.2 O[C@@H]1C=C[C@H](O)C1 P10067 [0,1,0,1,0,0|2,0,0]=4 395 B7R1.2 O[C@H]1CC[C@@H](O)C1 P16667 [0,1,0,1,0,0|0,0,2]=4 396 B7R1.3 BrC1=CCCNC1 D97153 [0,1,0,1,0,0|1,0,1]=4 397 B7R1.3 BrC1=CCOCC1 C90119 [0,1,0,1,0,0|1,0,1]=4 398 B7R1.3 C=C1CCNCC1 88914 [0,1,0,1,0,0|1,0,0]=3 399 B7R1.3 C=C1CCOCC1 84295 [0,1,0,1,0,0|1,0,0]=3 400 B7R1.3 CC1=CCNCC1 A11257 [0,1,0,1,0,0|1,0,1]=4 401 B7R1.3 C[C@H]1CCCCN1 C73894 [0,1,0,1,0,0|1,0,1]=4 402 B7R1.3 C[C@H]1CCCNC1 36405 [0,1,0,1,0,0|1,0,1]=4 403 B7R1.3 C[C@H]1CNCCO1 24564 [0,1,0,1,0,0|0,0,2]=4 404 B7R1.3 C[C@H]1CNCCO1 27729 [0,1,0,1,0,0|0,0,2]=4 405 B7R1.3 C[C@H]1CNCCO1 F13460 [0,1,0,1,0,0|0,0,2]=4 406 B7R1.3 C[C@H]1CNCCO1 P11013 [0,1,0,1,0,0|0,0,2]=4 407 B7R1.3 C[C@H]1COCCN1 72593 [0,1,0,1,0,0|1,0,1]=4 408 B7R1.3 FC1=CCNCC1 P20375 [0,1,0,1,0,0|1,0,1]=4 409 B7R1.3 F[C@H]1CCCNC1 37161 [0,1,0,1,0,0|1,0,1]=4 410 B7R1.3 F[C@H]1CCCNC1 37162 [0,1,0,1,0,0|1,0,1]=4 411 B7R1.3 NC1=NCCCN1 AC1271 [0,1,0,1,0,0|2,0,0]=4 412 B7R1.3 N[C@@H]1C=CCCC1 D84435 [0,1,0,1,0,0|1,0,0]=3 413 B7R1.3 N[C@H]1CCCNC1 C72133 [0,1,0,1,0,0|1,0,1]=4 414 B7R1.3 N[C@H]1CCCOC1 F10442 [0,1,0,1,0,0|0,0,2]=4 415 B7R1.3 O=C1C=CCCN1 88830 [0,1,0,1,0,0|0,0,2]=4 416 B7R1.3 O=C1C=CCOC1 O10790 [0,1,0,1,0,0|0,0,2]=4 417 B7R1.3 O=C1CCCCS1 D95162 [0,1,0,1,0,0|0,0,0]=2 418 B7R1.3 O=C1CNCCO1 RB3226 [0,1,0,1,0,0|1,0,0]=3 419 B7R1.3 O=C1CSCCN1 23643 [0,1,0,1,0,0|1,0,0]=3 420 B7R1.3 O[C@@H]1C=CCNC1 S11183 [0,1,0,1,0,0|2,0,0]=4 421 B7R1.3 O[C@H]1CCCOC1 P10754 [0,1,0,1,0,0|0,0,2]=4 422 B7R1.3 O[C@H]1CCCOC1 P10755 [0,1,0,1,0,0|0,0,2]=4 423 B7R1.3 SC1CCNCC1 39018 [0,1,0,1,0,0|0,1,1]=4 424 B7R1.3 SC1CCOCC1 AT12453 [0,1,0,1,0,0|0,0,2]=4 425 B7R1.3 S[C@H]1CCCNC1 P11853 [0,1,0,1,0,0|0,1,1]=4 426 B7R1.4 BrC1=C(Br)CCC1 79351 [0,1,0,1,0,0|1,0,1]=4 427 B7R1.4 Br[C@H]1CCC[C@@H]1Br D97021 [0,1,0,1,0,0|1,0,1]=4 428 B7R1.4 CC1=CCOC1=O T72100 [0,1,0,1,0,0|0,0,2]=4 429 B7R1.4 CC1CNCC1C P18713 [0,1,0,1,0,0|1,0,1]=4 430 B7R1.4 CN1CCN=C1N W16176 [0,1,0,1,0,0|2,0,0]=4 431 B7R1.4 CN1CCNC1=O 81682 [0,1,0,1,0,0|1,0,0]=3 432 B7R1.4 C[C@@H]1CCC[C@@H]1N 72991 [0,1,0,1,0,0|1,0,1]=4 433 B7R1.4 C[C@@H]1CCC[C@@H]1O 72407 [0,1,0,1,0,0|0,0,2]=4 434 B7R1.4 C[C@@H]1CNC[C@@H]1F 73104 [0,1,0,1,0,0|1,0,1]=4 435 B7R1.4 C[C@@H]1CNC[C@@H]1N F13008 [0,1,0,1,0,0|1,0,1]=4 436 B7R1.4 C[C@@H]1CNC[C@@H]1O 72981 [0,1,0,1,0,0|0,0,2]=4 437 B7R1.4 C[C@H]1CCC[C@@H]1O 71002 [0,1,0,1,0,0|0,0,2]=4 438 B7R1.4 C[C@H]1CNC[C@@H]1O 72668 [0,1,0,1,0,0|0,0,2]=4 439 B7R1.4 C[C@H]1COC[C@@H]1N P16382 [0,1,0,1,0,0|1,0,1]=4 440 B7R1.4 C[C@H]1COC[C@@H]1O 73077 [0,1,0,1,0,0|0,0,2]=4 441 B7R1.4 NC1CCCC1N F16273 [0,1,0,1,0,0|1,0,1]=4 442 B7R1.4 NN1CCOC1=O S10190 [0,1,0,1,0,0|2,0,0]=4 443 B7R1.4 N[C@@H]1CCC[C@@H]1O P10925 [0,1,0,1,0,0|0,0,2]=4 444 B7R1.4 N[C@H]1CCC[C@@H]1F P17786 [0,1,0,1,0,0|1,0,1]=4 445 B7R1.4 N[C@H]1CCC[C@@H]1N F16352 [0,1,0,1,0,0|1,0,1]=4 446 B7R1.4 N[C@H]1CCC[C@@H]1O 71753 [0,1,0,1,0,0|0,0,2]=4 447 B7R1.4 N[C@H]1CCC[C@H]1N I12005 [0,1,0,1,0,0|1,0,1]=4 448 B7R1.4 N[C@H]1CCNC1=O 51276 [0,1,0,1,0,0|1,0,0]=3 449 B7R1.4 N[C@H]1CCNC1=O 51277 [0,1,0,1,0,0|1,0,0]=3 450 B7R1.4 N[C@H]1CCNC1=O 51278 [0,1,0,1,0,0|1,0,0]=3 451 B7R1.4 N[C@H]1CCNC1=O F14678 [0,1,0,1,0,0|1,0,0]=3 452 B7R1.4 N[C@H]1CCSC1=O O10218 [0,1,0,1,0,0|1,0,0]=3 453 B7R1.4 N[C@H]1CONC1=O FD3007 [0,1,0,1,0,0|2,0,0]=4 454 B7R1.4 O=C1NCC[C@@H]1Br 78555 [0,1,0,1,0,0|1,0,0]=3 455 B7R1.4 O=C1OCC[C@@H]1O F14291 [0,1,0,1,0,0|1,0,0]=3 456 B7R1.4 O[C@H]1CCC=C1Br D79898 [0,1,0,1,0,0|1,0,1]=4 457 B7R1.6 C=CCC1CNC1 P14594 [0,1,0,1,0,0|1,0,0]=3 458 B7R1.6 CCNC1CCC1 W19308 [0,1,0,1,0,0|1,0,1]=4 459 B7R1.6 CCNC1COC1 32797 [0,1,0,1,0,0|2,0,0]=4 460 B7R1.6 CCOC1CNC1 C16603 [0,1,0,1,0,0|2,0,0]=4 461 B7R1.6 CNCC1COC1 32854 [0,1,0,1,0,0|2,0,0]=4 462 B7R1.6 CNC[C@H]1CCO1 D96714 [0,1,0,1,0,0|0,0,2]=4 463 B7R1.6 COCC1CNC1 36064 [0,1,0,1,0,0|2,0,0]=4 464 B7R1.6 COCC1CNC1 37073 [0,1,0,1,0,0|2,0,0]=4 465 B7R1.6 COC[C@H]1CCN1 38829 [0,1,0,1,0,0|1,0,1]=4 466 B7R1.6 COC[C@H]1CCN1 P15803 [0,1,0,1,0,0|1,0,1]=4 467 B7R1.6 N#CC=C1CCC1 P11568 [0,1,0,1,0,0|1,0,1]=4 468 B7R1.6 N#CCC1CCC1 55430 [0,1,0,1,0,0|1,0,1]=4 469 B7R1.6 N#CCC1CNC1 P14687 [0,1,0,1,0,0|1,0,1]=4 470 B7R1.6 N#CCC1COC1 D79136 [0,1,0,1,0,0|1,0,1]=4 471 B7R1.6 NCCC1CCC1 P10851 [0,1,0,1,0,0|1,0,1]=4 472 B7R1.6 NCCC1COC1 85783 [0,1,0,1,0,0|1,0,1]=4 473 B7R1.6 NNCC1CCC1 P12716 [0,1,0,1,0,0|1,0,1]=4 474 B7R1.6 O=CCC1CCC1 55432 [0,1,0,1,0,0|0,0,0]=2 475 B7R1.6 O=CCC1COC1 CS2316 [0,1,0,1,0,0|0,0,0]=2 476 B7R1.6 OCCC1CCC1 32129 [0,1,0,1,0,0|0,0,2]=4 477 B7R1.6 OCCC1CNC1 P16512 [0,1,0,1,0,0|0,0,2]=4 478 B7R1.6 OCCC1COC1 32759 [0,1,0,1,0,0|0,0,2]=4 479 B7R1.6 OCCN1CCC1 70839 [0,1,0,1,0,0|0,0,2]=4 480 B7R1.6 OCC[C@H]1CCO1 P17680 [0,1,0,1,0,0|0,0,2]=4 481 B7R1.8 CC1NCC1C#N D96740 [0,1,0,1,0,0|1,0,1]=4 482 B7R1.8 CN1CC[C@@H]1CN P15857 [0,1,0,1,0,0|1,0,1]=4 483 B7R1.8 CN1CC[C@@H]1CO 63438 [0,1,0,1,0,0|0,0,2]=4 484 B7R1.8 CN1CC[C@@H]1CO AT17142 [0,1,0,1,0,0|0,0,2]=4 485 B7R1.8 CN1CC[C@@H]1CO P18351 [0,1,0,1,0,0|0,0,2]=4 486 B7R1.8 CO[C@H]1CCC1=O P17941 [0,1,0,1,0,0|0,0,0]=2 487 B7R1.8 O=C1CC[C@@H]1CO P13853 [0,1,0,1,0,0|0,0,0]=2 488 B7R1.9 NCC1CC1CO C14991 [0,1,0,1,0,0|0,0,2]=4 489 B7R1.9 NC[C@H]1C[C@@H]1CN D79389 [0,1,0,1,0,0|1,0,1]=4 490 B7R1.9 OC[C@H]1C[C@H]1CO P16470 [0,1,0,1,0,0|0,0,2]=4 491 B7R1.10 C=C1CC(CO)C1 D79070 [0,1,0,1,0,0|2,0,0]=4 492 B7R1.10 CC1CC(CN)C1 72944 [0,1,0,1,0,0|1,0,1]=4 493 B7R1.10 CNC1CC(C)C1 72947 [0,1,0,1,0,0|2,0,0]=4 494 B7R1.10 CNC1CC(O)C1 37731 [0,1,0,1,0,0|2,0,0]=4 495 B7R1.10 CN[C@H]1C[C@@H](O)C1 P13897 [0,1,0,1,0,0|2,0,0]=4 496 B7R1.10 CN[C@H]1C[C@H](O)C1 38892 [0,1,0,1,0,0|2,0,0]=4 497 B7R1.10 COC1CC(=O)C1 P12741 [0,1,0,1,0,0|1,0,0]=3 498 B7R1.10 COC1CC(N)C1 37221 [0,1,0,1,0,0|2,0,0]=4 499 B7R1.10 COC1CC(O)C1 R10063 [0,1,0,1,0,0|2,0,0]=4 500 B7R1.10 CO[C@H]1C[C@@H](N)C1 39167 [0,1,0,1,0,0|2,0,0]=4 501 B7R1.10 CO[C@H]1C[C@H](N)C1 39168 [0,1,0,1,0,0|2,0,0]=4 502 B7R1.10 N#CC1CC(I)C1 AT12394 [0,1,0,1,0,0|1,0,1]=4 503 B7R1.10 N#CC1CC(N)C1 37826 [0,1,0,1,0,0|1,0,1]=4 504 B7R1.10 N#C[C@H]1C[C@@H](N)C1 P16656 [0,1,0,1,0,0|1,0,1]=4 505 B7R1.10 N#C[C@H]1C[C@@H](O)C1 39462 [0,1,0,1,0,0|1,0,1]=4 506 B7R1.10 N#C[C@H]1C[C@H](N)C1 P17914 [0,1,0,1,0,0|1,0,1]=4 507 B7R1.10 NCC1CC(F)C1 38649 [0,1,0,1,0,0|1,0,1]=4 508 B7R1.10 NCC1CC(O)C1 37219 [0,1,0,1,0,0|1,0,1]=4 509 B7R1.10 NC[C@H]1C[C@H](O)C1 37659 [0,1,0,1,0,0|1,0,1]=4 510 B7R1.10 N[C@H]1C[C@@H](CO)C1 29808 [0,1,0,1,0,0|0,0,2]=4 511 B7R1.10 N[C@H]1C[C@@H](CO)C1 37494 [0,1,0,1,0,0|0,0,2]=4 512 B7R1.10 N[C@H]1C[C@H](CO)C1 37495 [0,1,0,1,0,0|0,0,2]=4 513 B7R1.10 O=C1CC(CBr)C1 39031 [0,1,0,1,0,0|1,0,0]=3 514 B7R1.10 O=C1CC(CCl)C1 P11243 [0,1,0,1,0,0|1,0,0]=3 515 B7R1.10 O=C1C[C@H](CO)N1 P17668 [0,1,0,1,0,0|1,0,0]=3 516 B7R1.10 OCC1CC(F)C1 72453 [0,1,0,1,0,0|0,0,2]=4 517 B7R1.10 OCC1CC(O)C1 N10548 [0,1,0,1,0,0|0,0,2]=4 518 B7R1.10 O[C@H]1C[C@@H](CF)C1 P21066 [0,1,0,1,0,0|1,0,1]=4 519 B7R1.21 CC1(CCO)CC1 P14058 [0,1,0,1,0,0|0,0,2]=4 520 B7R1.22 N[C@@H](CO)C1CC1 N11217 [0,1,0,1,0,0|0,0,2]=4 521 B7R1.22 N[C@@H](CO)C1CC1 P18914 [0,1,0,1,0,0|0,0,2]=4 522 B7R1.22 N[C@@H](CO)C1CC1 Y14567 [0,1,0,1,0,0|0,0,2]=4 523 B7R1.25 CC1(CO)CCC1 90942 [0,1,0,1,0,0|0,0,2]=4 524 B7R1.25 CCC1(C)CNC1 D79218 [0,1,0,1,0,0|2,0,0]=4 525 B7R1.25 CCC1(F)CNC1 D79682 [0,1,0,1,0,0|2,0,0]=4 526 B7R1.25 CCC1(N)COC1 32880 [0,1,0,1,0,0|2,0,0]=4 527 B7R1.25 CCC1(O)COC1 69107 [0,1,0,1,0,0|2,0,0]=4 528 B7R1.25 N#CC1(N)CCC1 72155 [0,1,0,1,0,0|1,0,1]=4 529 B7R1.25 N#CC1(O)CCC1 F50564 [0,1,0,1,0,0|1,0,1]=4 530 B7R1.25 NC1(CO)CCC1 P11244 [0,1,0,1,0,0|0,0,2]=4 531 B7R1.25 NCC1(F)CCC1 85743 [0,1,0,1,0,0|1,0,1]=4 532 B7R1.25 NCC1(O)CCC1 27372 [0,1,0,1,0,0|1,0,1]=4 533 B7R1.25 OCC1(F)CCC1 85746 [0,1,0,1,0,0|0,0,2]=4 534 B7R1.25 OCC1(O)CCC1 AT20135 [0,1,0,1,0,0|0,0,2]=4 535 B7R1.7 C=CCC[C@H]1CO1 61994 [0,1,0,1,0,0|1,0,0]=3 536 B7R1.7 OCCCC1CC1 F52480 [0,1,0,1,0,0|0,0,2]=4 537 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P12613 [0,1,0,1,0,0|0,0,0]=2 538 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 72828 [0,1,0,1,0,0|0,0,0]=2 539 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3201 [0,1,0,1,0,0|1,0,0]=3 540 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P15680 [0,1,0,1,0,0|1,0,0]=3 541 B7R1.14 CC1(Br)CCCC1 P19649 [0,1,0,1,0,0|1,0,1]=4 542 B7R1.14 CC1(C)CCCN1 71736 [0,1,0,1,0,0|1,0,1]=4 543 B7R1.14 CC1(C)CCCN1 71895 [0,1,0,1,0,0|1,0,1]=4 544 B7R1.14 CC1(C)CCNC1 28371 [0,1,0,1,0,0|2,0,0]=4 545 B7R1.14 CC1(N)CCCC1 90423 [0,1,0,1,0,0|1,0,1]=4 546 B7R1.14 C[C@]1(F)CCNC1 P15373 [0,1,0,1,0,0|2,0,0]=4 547 B7R1.14 C[C@]1(N)CCOC1 38927 [0,1,0,1,0,0|2,0,0]=4 548 B7R1.14 C[C@]1(O)CCNC1 D96498 [0,1,0,1,0,0|2,0,0]=4 549 B7R1.14 C[C@]1(O)CCOC1 69114 [0,1,0,1,0,0|2,0,0]=4 550 B7R1.14 O=S1(=O)CCCO1 D77717 [0,1,0,1,0,0|2,0,0]=4 551 B7R1.17 CC1(C)CC[C@@H]1N AT10475 [0,1,0,1,0,0|1,0,1]=4 552 B7R1.18 CC(=O)C1COC1 79962 [0,1,0,1,0,0|1,0,0]=3 553 B7R1.18 CC(C)C1CNC1 D79219 [0,1,0,1,0,0|2,0,0]=4 554 B7R1.18 C[C@H](N)C1CCC1 93060 [0,1,0,1,0,0|1,0,1]=4 555 B7R1.18 C[C@H](N)C1CCC1 93062 [0,1,0,1,0,0|1,0,1]=4 556 B7R1.18 C[C@H](O)C1COC1 P18451 [0,1,0,1,0,0|2,0,0]=4 557 B7R1.18 NC(=O)C1CCC1 20365 [0,1,0,1,0,0|0,0,0]=2 558 B7R1.18 NC(=O)[C@@H]1CCN1 20741 [0,1,0,1,0,0|1,0,0]=3 559 B7R1.18 NC(=O)[C@@H]1CCN1 21273 [0,1,0,1,0,0|1,0,0]=3 560 B7R1.18 O=C(O)C1=CCC1 P16818 [0,1,0,1,0,0|0,0,2]=4 561 B7R1.18 O=C(O)C1COC1 81314 [0,1,0,1,0,0|1,0,0]=3 562 B7R1.18 O=C(O)C1CSC1 P12604 [0,1,0,1,0,0|1,0,0]=3 563 B7R1.18 O=C(O)[C@@H]1CCO1 32900 [0,1,0,1,0,0|1,0,0]=3 564 B7R1.18 O=[N+]([O-])C1CCC1 30647 [0,1,0,1,0,0|1,0,0]=3 565 B7R1.20 C[C@H](O)CC1CC1 79072 [0,1,0,1,0,0|0,0,2]=4 566 B7R1.20 O=C(Cl)CC1CC1 P19146 [0,1,0,1,0,0|0,0,0]=2 567 B7R1.20 O=C(O)C[C@H]1CO1 P18471 [0,1,0,1,0,0|1,0,0]=3 568 B7R1.24 C1CNCCOC1 80062 [0,1,0,1,0,0|0,0,2]=4 569 B7R2.13 C1CC2CC2N1 33368 [0,0,0,2,0,0|1,0,1]=4 570 B7R2.13 C1NCC2CC12 80426 [0,0,0,2,0,0|1,0,1]=4 571 B7R2.11 C1NC2CC1C2 37897 [0,0,0,2,0,0|1,0,1]=4 572 B7R2.16 C1CC12CNC2 87106 [0,0,0,2,0,0|2,0,0]=4