0 B7R0.12 CCCC(CO)CO AB7729 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.12 CCN(CCO)N=O T71710 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.12 CCN[C@@H](CC)CO 29377 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.1 CCC[C@@H](Br)CC D78429 [1,0,0,0,0,0|3,0,0]=4 4 B6R0.1 CC[C@H](S)CCO D84734 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.1 CNC(=O)CCO AC6610 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.1 N[C@H](CO)CCO AB10026 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.1 N[C@H](CO)CCO AB10027 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.9 CCC(C#N)CC AC1599 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.9 CCC(CBr)CBr W17735 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.9 CCN(C#N)CC A12695 [1,0,0,0,0,0|1,0,1]=3 11 B6R0.9 CC[C@@H](CN)CO Y13480 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.9 CO[C@@H](CN)CO P20679 [1,0,0,0,0,0|3,0,0]=4 13 B8R0.20 CCN(CC)C(=O)CN D95088 [0,1,0,0,0,0|1,0,1]=3 14 B8R0.31 CCC(O)(CC)COC 73811 [0,1,0,0,0,0|3,0,0]=4 15 B8R0.31 COP(=O)(CCO)OC C15969 [0,1,0,0,0,0|2,1,0]=4 16 B8R1.1 CCN1CC[C@H](N)C1 P15254 [0,0,0,1,0,0|1,0,0]=2 17 B8R1.1 CCN1CC[C@H](N)C1 P15821 [0,0,0,1,0,0|1,0,0]=2 18 B8R1.1 COC1CCC(N)C1 33463 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.1 COC1CCC(O)C1 P19125 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.1 CO[C@H]1CC[C@@H](N)C1 P19923 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.1 CO[C@H]1CC[C@H](N)C1 P17830 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.1 N#CC1CCC(O)C1 W19383 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.1 N#C[C@@H]1CC[C@H](O)C1 73072 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.1 N#C[C@H]1CC[C@H](O)C1 73073 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.1 NCC1CCC(F)C1 72980 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.1 NCC1CCC(O)C1 72949 [0,0,0,1,0,0|2,0,0]=3 27 B8R1.1 NC[C@H]1CC[C@H](F)C1 72985 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.1 OC[C@@H]1C[C@H](O)CN1 S10025 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.2 C#CC1CCOCC1 37550 [0,0,0,1,0,0|1,0,2]=4 30 B8R1.2 CCC1CCNCC1 W10090 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.2 CC[C@H]1CCCCN1 Y10457 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.2 CNC1CCNCC1 Y10435 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.2 CNC1CCSCC1 D93432 [0,0,0,1,0,0|2,1,0]=4 34 B8R1.2 ClCC1CCNCC1 P17439 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.2 ClCC1CCOCC1 C77585 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.2 FCC1CCNCC1 F10330 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.2 ICC1CCCCC1 AC1131 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.2 N#CN1CCCCC1 A12086 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.2 NCC1CCSCC1 P11855 [0,0,0,1,0,0|2,1,0]=4 40 B8R1.2 NCC1CCSCC1 P17457 [0,0,0,1,0,0|2,1,0]=4 41 B8R1.2 NNC1CCOCC1 F51905 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.2 O=CN1CCCCC1 D77795 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.2 O=NN1CCOCC1 T72681 [0,0,0,1,0,0|2,0,0]=3 44 B8R1.2 [C-]#[N+]C1CCOCC1 AC9405 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.8 BrCCC1CCCC1 C78009 [0,0,0,1,0,0|2,0,0]=3 46 B8R1.8 C#CCN1CCCC1 98376 [0,0,0,1,0,0|1,0,1]=3 47 B8R1.8 C#CCN1CCCC1 W15840 [0,0,0,1,0,0|1,0,1]=3 48 B8R1.8 ClCCC1CCCC1 AC1057 [0,0,0,1,0,0|2,0,0]=3 49 B8R1.8 NNCC1CCCC1 P11240 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.8 O=CCC1CCCC1 F11683 [0,0,0,1,0,0|1,0,2]=4 51 B8R1.8 OCCC1OCCO1 W16263 [0,0,0,1,0,0|3,0,0]=4 52 B8R1.8 OCC[C@H]1CCCN1 50275 [0,0,0,1,0,0|2,0,0]=3 53 B8R1.8 OCC[C@H]1CCCN1 62964 [0,0,0,1,0,0|2,0,0]=3 54 B8R1.12 OC[C@H]1CC[C@H]1CO W19717 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.82 COC1(CCN)CC1 P18937 [0,0,0,1,0,0|3,0,0]=4 56 B8R1.82 N#CC1(CCO)CC1 F30354 [0,0,0,1,0,0|2,0,1]=4 57 B5R0.1 CN(C)CC=O D88083 [2,0,0,0,0,0|0,0,2]=4 58 B5R0.1 CN(C)CCO D93012 [2,0,0,0,0,0|0,0,0]=2 59 B5R0.1 C[S+](C)CCCl 77752 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.2 COCCCO D77912 [2,0,0,0,0,0|2,0,0]=4 61 B5R0.3 CC[C@H](C)CN 88665 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.3 CC[PH](=O)CC C77650 [2,0,0,0,0,0|0,1,1]=4 63 B5R0.3 CN[C@@H](C)CO AC8719 [2,0,0,0,0,0|2,0,0]=4 64 B5R0.3 CN[C@@H](C)CO C77593 [2,0,0,0,0,0|2,0,0]=4 65 B5R0.3 CN[C@@H](C)CO D80042 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.3 CN[C@@H](C)CO D80344 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.3 CN[C@@H](C)CO D82586 [2,0,0,0,0,0|2,0,0]=4 68 B5R0.3 CO[C@@H](C)CO 91002 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.3 C[C@@H](CO)CBr AB3182 [2,0,0,0,0,0|2,0,0]=4 70 B7R0.2 CC[C@H](C)CC(=O)O 63986 [1,1,0,0,0,0|1,0,1]=4 71 B7R0.2 COC(C)CC(C)O 78061 [1,1,0,0,0,0|2,0,0]=4 72 B7R0.3 CCC(=O)OCCO A11774 [1,1,0,0,0,0|2,0,0]=4 73 B7R0.7 CCC[C@H](N)CCO AT20461 [1,1,0,0,0,0|2,0,0]=4 74 B7R0.7 CCC[C@H](N)CCO I11080 [1,1,0,0,0,0|2,0,0]=4 75 B7R0.7 CCC[C@H](N)CCO N12794 [1,1,0,0,0,0|2,0,0]=4 76 B7R0.7 CN(CCO)CCO A10780 [1,1,0,0,0,0|0,0,0]=2 77 B7R0.7 COC[C@@H](N)CCO AT12992 [1,1,0,0,0,0|2,0,0]=4 78 B7R0.10 CC[C@@H](C)[C@@H](N)CO 73347 [1,1,0,0,0,0|1,0,0]=3 79 B7R0.11 CC(C)(CO)CCO W16131 [1,1,0,0,0,0|2,0,0]=4 80 B7R0.11 CCC(C)(C)CCCl F50555 [1,1,0,0,0,0|2,0,0]=4 81 B7R0.11 C[N+](C)(CF)CCO W18955 [1,1,0,0,0,0|1,0,1]=4 82 B7R0.11 C[N+](C)(CI)CCO F11952 [1,1,0,0,0,0|1,0,1]=4 83 B7R0.15 CC(C)C(CO)CO 73803 [1,1,0,0,0,0|2,0,0]=4 84 B7R0.15 CCN(CC)C(=O)Cl F20301 [1,1,0,0,0,0|0,0,2]=4 85 B7R0.15 CC[C@@H](CO)C(C)C C74656 [1,1,0,0,0,0|1,0,0]=3 86 B9R0.37 CCNC(=O)N(CC)CC A10889 [0,2,0,0,0,0|1,0,1]=4 87 B9R0.43 CCC(CO)CCC(C)O D97248 [0,2,0,0,0,0|2,0,0]=4 88 B9R0.33 CC(C)N(CCS)C(C)C S10710 [0,2,0,0,0,0|0,1,0]=3 89 B9R0.41 CCN(CC)C(=O)[C@H](C)N W10028 [0,2,0,0,0,0|1,0,1]=4 90 B9R0.71 CCN(CC)C(C)(C)CO 27917 [0,2,0,0,0,0|0,0,0]=2 91 B9R0.17 OCCN(CCCl)CCCl F51434 [0,2,0,0,0,0|0,0,0]=2 92 B7R1.1 BrC[C@H]1CCOC1 84096 [1,0,0,1,0,0|2,0,0]=4 93 B7R1.1 CC[C@H]1CCNC1 P14869 [1,0,0,1,0,0|2,0,0]=4 94 B7R1.1 CN[C@H]1CCOC1 P18534 [1,0,0,1,0,0|2,0,0]=4 95 B7R1.1 CN[C@H]1CCOC1 P18535 [1,0,0,1,0,0|2,0,0]=4 96 B7R1.1 NC[C@H]1CCOC1 37316 [1,0,0,1,0,0|2,0,0]=4 97 B7R1.1 NC[C@H]1CCOC1 68891 [1,0,0,1,0,0|2,0,0]=4 98 B7R1.1 NC[C@H]1CCOC1 P12031 [1,0,0,1,0,0|2,0,0]=4 99 B7R1.1 OC[C@H]1CCOC1 37313 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.1 OC[C@H]1CCOC1 37314 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.2 CN1CCC(=O)C1 64220 [1,0,0,1,0,0|0,0,2]=4 102 B7R1.2 CN1CC[C@H](Br)C1 C14104 [1,0,0,1,0,0|1,0,0]=3 103 B7R1.2 CN1CC[C@H](N)C1 51282 [1,0,0,1,0,0|1,0,0]=3 104 B7R1.2 CN1CC[C@H](N)C1 51289 [1,0,0,1,0,0|1,0,0]=3 105 B7R1.2 CN1CC[C@H](N)C1 FD9067 [1,0,0,1,0,0|1,0,0]=3 106 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13013 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.2 NC1CCC(O)C1 21055 [1,0,0,1,0,0|2,0,0]=4 108 B7R1.2 NC1CCC(O)C1 26425 [1,0,0,1,0,0|2,0,0]=4 109 B7R1.2 N[C@@H]1CC[C@H](O)C1 27526 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.2 N[C@@H]1CC[C@H](O)C1 38967 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.2 N[C@@H]1CC[C@H](O)C1 72087 [1,0,0,1,0,0|2,0,0]=4 112 B7R1.2 N[C@@H]1CC[C@H](O)C1 72088 [1,0,0,1,0,0|2,0,0]=4 113 B7R1.2 N[C@@H]1CC[C@H](O)C1 72349 [1,0,0,1,0,0|2,0,0]=4 114 B7R1.2 N[C@@H]1CC[C@H](O)C1 W11751 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.2 N[C@H]1CC[C@H](O)C1 27518 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.2 N[C@H]1CC[C@H](O)C1 31093 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.2 N[C@H]1CC[C@H](O)C1 W11748 [1,0,0,1,0,0|2,0,0]=4 118 B7R1.2 O=C1CC[C@H](O)C1 P13127 [1,0,0,1,0,0|2,0,0]=4 119 B7R1.2 O[C@H]1CC[C@@H](O)C1 P16667 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.3 C=C1CCOCC1 84295 [1,0,0,1,0,0|1,0,1]=4 121 B7R1.3 SC1CCOCC1 AT12453 [1,0,0,1,0,0|2,0,0]=4 122 B7R1.6 NCCC1CCC1 P10851 [1,0,0,1,0,0|2,0,0]=4 123 B7R1.6 OCCC1CCC1 32129 [1,0,0,1,0,0|1,0,0]=3 124 B7R1.6 OCCC1CNC1 P16512 [1,0,0,1,0,0|2,0,0]=4 125 B7R1.6 OCCC1COC1 32759 [1,0,0,1,0,0|2,0,0]=4 126 B7R1.6 OCCN1CCC1 70839 [1,0,0,1,0,0|0,0,0]=2 127 B7R1.6 OCC[C@H]1CCO1 P17680 [1,0,0,1,0,0|2,0,0]=4 128 B7R1.8 CN1CC[C@@H]1CN P15857 [1,0,0,1,0,0|1,0,0]=3 129 B7R1.8 CN1CC[C@@H]1CO 63438 [1,0,0,1,0,0|0,0,0]=2 130 B7R1.8 CN1CC[C@@H]1CO AT17142 [1,0,0,1,0,0|0,0,0]=2 131 B7R1.8 CN1CC[C@@H]1CO P18351 [1,0,0,1,0,0|0,0,0]=2 132 B7R1.8 O=C1CC[C@@H]1CO P13853 [1,0,0,1,0,0|2,0,0]=4 133 B7R1.9 NCC1CC1CO C14991 [1,0,0,1,0,0|2,0,0]=4 134 B7R1.9 OC[C@H]1C[C@H]1CO P16470 [1,0,0,1,0,0|2,0,0]=4 135 B7R1.10 CNC1CC(O)C1 37731 [1,0,0,1,0,0|2,0,0]=4 136 B7R1.10 CN[C@H]1C[C@@H](O)C1 P13897 [1,0,0,1,0,0|2,0,0]=4 137 B7R1.10 CN[C@H]1C[C@H](O)C1 38892 [1,0,0,1,0,0|2,0,0]=4 138 B7R1.10 COC1CC(O)C1 R10063 [1,0,0,1,0,0|2,0,0]=4 139 B7R1.10 NCC1CC(O)C1 37219 [1,0,0,1,0,0|2,0,0]=4 140 B7R1.10 NC[C@H]1C[C@H](O)C1 37659 [1,0,0,1,0,0|2,0,0]=4 141 B7R1.10 OCC1CC(O)C1 N10548 [1,0,0,1,0,0|2,0,0]=4 142 B7R1.10 O[C@H]1C[C@@H](CF)C1 P21066 [1,0,0,1,0,0|2,0,0]=4 143 B7R1.21 CC1(CCO)CC1 P14058 [1,0,0,1,0,0|1,0,0]=3 144 B7R1.25 C[C@]1(CN)CCO1 D79679 [1,0,0,1,0,0|2,0,0]=4 145 B7R1.25 C[C@]1(CN)CCO1 P20357 [1,0,0,1,0,0|2,0,0]=4 146 B7R1.29 CCC1(CN)CC1 W19007 [1,0,0,1,0,0|2,0,0]=4 147 B7R1.29 COC1(CO)CC1 92149 [1,0,0,1,0,0|2,0,0]=4 148 B7R1.29 OCC1(CF)CC1 32156 [1,0,0,1,0,0|2,0,0]=4 149 B9R1.1 CCN1CCC(N)CC1 W15425 [0,1,0,1,0,0|1,0,0]=3 150 B9R1.1 CC[C@H]1CC[C@H](O)CC1 F19617 [0,1,0,1,0,0|1,0,0]=3 151 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 38918 [0,1,0,1,0,0|2,0,0]=4 152 B9R1.1 CN[C@H]1CC[C@@H](O)CC1 C77279 [0,1,0,1,0,0|2,0,0]=4 153 B9R1.1 CN[C@H]1CC[C@H](O)CC1 C77158 [0,1,0,1,0,0|2,0,0]=4 154 B9R1.1 CON1CCC(=O)CC1 92073 [0,1,0,1,0,0|1,0,1]=4 155 B9R1.1 CO[C@H]1CC[C@H](O)CC1 D84292 [0,1,0,1,0,0|2,0,0]=4 156 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 P14164 [0,1,0,1,0,0|2,0,0]=4 157 B9R1.1 NC[C@H]1CC[C@H](O)CC1 P14163 [0,1,0,1,0,0|2,0,0]=4 158 B9R1.1 OC[C@H]1CC[C@@H](O)CC1 P19128 [0,1,0,1,0,0|2,0,0]=4 159 B9R1.1 OC[C@H]1CC[C@H](O)CC1 T72373 [0,1,0,1,0,0|2,0,0]=4 160 B9R1.12 BrCCCN1CCCC1 C76980 [0,1,0,1,0,0|1,0,0]=3 161 B9R1.12 OCCOC1CCCC1 31903 [0,1,0,1,0,0|1,0,0]=3 162 B9R1.15 CCN1CCNCC1=O W18927 [0,1,0,1,0,0|1,0,1]=4 163 B9R1.15 CCN1CCNC[C@@H]1C Y13519 [0,1,0,1,0,0|1,0,0]=3 164 B9R1.21 OCC1CCC(CO)N1 CS1569 [0,1,0,1,0,0|2,0,0]=4 165 B9R1.70 CCN(CC)C1CNC1 P17686 [0,1,0,1,0,0|1,0,0]=3 166 B9R1.89 CCN1CCCCCC1 A11156 [0,1,0,1,0,0|1,0,0]=3 167 B9R1.89 CCN1CCCNCC1 I11453 [0,1,0,1,0,0|1,0,0]=3 168 B9R1.6 CC(C)C1CCNCC1 T72018 [0,1,0,1,0,0|2,0,0]=4 169 B9R1.6 CC(C)N1CCOCC1 78587 [0,1,0,1,0,0|0,0,0]=2 170 B9R1.6 C[C@H](N)C1CCCCC1 N11990 [0,1,0,1,0,0|2,0,0]=4 171 B9R1.6 C[C@H](N)C1CCOCC1 52485 [0,1,0,1,0,0|1,0,0]=3 172 B9R1.6 C[C@H](N)C1CCOCC1 52508 [0,1,0,1,0,0|1,0,0]=3 173 B9R1.6 C[C@H](N)C1CCOCC1 53162 [0,1,0,1,0,0|1,0,0]=3 174 B9R1.6 C[C@H](O)C1CCNCC1 50851 [0,1,0,1,0,0|2,0,0]=4 175 B9R1.6 C[C@H](O)C1CCOCC1 72533 [0,1,0,1,0,0|1,0,0]=3 176 B9R1.6 C[C@H](O)C1CCOCC1 D96636 [0,1,0,1,0,0|1,0,0]=3 177 B9R1.6 N=C(N)N1CCOCC1 77296 [0,1,0,1,0,0|1,0,1]=4 178 B9R1.24 CCN1CCOS1(=O)=O P12691 [0,1,0,1,0,0|2,0,0]=4 179 B9R1.33 CN1CCC[C@@H]1CCO 27869 [0,1,0,1,0,0|2,0,0]=4 180 B9R1.33 CN1CCC[C@@H]1CCO 27876 [0,1,0,1,0,0|2,0,0]=4 181 B9R1.33 NCCN1CCOC1=O C13660 [0,1,0,1,0,0|1,0,1]=4 182 B9R1.33 O=C1CCCN1CCBr C77640 [0,1,0,1,0,0|1,0,1]=4 183 B9R1.35 CC(=O)N1CC[C@H](N)C1 AT25019 [0,1,0,1,0,0|1,0,1]=4 184 B9R1.35 CC(C)N1CC[C@H](N)C1 P11086 [0,1,0,1,0,0|1,0,0]=3 185 B9R1.96 CCN1CC[C@H]1C(=O)O P15973 [0,1,0,1,0,0|0,0,1]=3 186 B9R1.2 CCN1CCNC(=O)C1 C76051 [0,1,0,1,0,0|0,0,2]=4 187 B9R1.2 CCN1CCNC(=O)C1 F52612 [0,1,0,1,0,0|0,0,2]=4 188 B9R1.2 CCN1CCN[C@@H](C)C1 Y13520 [0,1,0,1,0,0|1,0,0]=3 189 B9R1.11 NC(CO)C1CCOC1 32326 [0,1,0,1,0,0|2,0,0]=4 190 B9R1.11 NCC(=O)N1CCCC1 W18110 [0,1,0,1,0,0|1,0,1]=4 191 B9R1.11 O=C(CO)N1CCCC1 W15877 [0,1,0,1,0,0|0,0,1]=3 192 B9R1.7 CN1CC[C@H](CCN)C1 37308 [0,1,0,1,0,0|2,0,0]=4 193 B9R1.7 CN1CC[C@H](CCO)C1 37198 [0,1,0,1,0,0|1,0,0]=3 194 B9R1.7 COC[C@@H]1C[C@H](O)CN1 P20748 [0,1,0,1,0,0|2,0,0]=4 195 B9R1.8 BrCCC1CCNCC1 AC8208 [0,1,0,1,0,0|2,0,0]=4 196 B9R1.8 BrCCC1CCOCC1 56518 [0,1,0,1,0,0|1,0,0]=3 197 B9R1.8 BrCCN1CCCCC1 O10261 [0,1,0,1,0,0|1,0,0]=3 198 B9R1.8 BrCCN1CCCCO1 72888 [0,1,0,1,0,0|1,0,0]=3 199 B9R1.8 C#CCN1CCNCC1 T72562 [0,1,0,1,0,0|1,0,1]=4 200 B9R1.8 CCCN1CCOCC1 A12323 [0,1,0,1,0,0|0,0,0]=2 201 B9R1.8 CNCC1CCCCC1 F20557 [0,1,0,1,0,0|2,0,0]=4 202 B9R1.8 CNCC1CCNCC1 28113 [0,1,0,1,0,0|2,0,0]=4 203 B9R1.8 ClCCC1CCNCC1 AC3007 [0,1,0,1,0,0|2,0,0]=4 204 B9R1.8 FCCN1CCNCC1 27667 [0,1,0,1,0,0|1,0,0]=3 205 B9R1.8 N#CCC1CCOCC1 H10074 [0,1,0,1,0,0|1,0,1]=4 206 B9R1.8 NCCC1CCCCC1 24486 [0,1,0,1,0,0|2,0,0]=4 207 B9R1.8 NCCC1CCCCC1 55664 [0,1,0,1,0,0|2,0,0]=4 208 B9R1.8 NCCC1CCOCC1 71435 [0,1,0,1,0,0|1,0,0]=3 209 B9R1.8 NCCC1CCSCC1 AC3550 [0,1,0,1,0,0|1,1,0]=4 210 B9R1.8 NCCN1CCCCO1 72735 [0,1,0,1,0,0|1,0,0]=3 211 B9R1.8 NNCC1CCOCC1 P12620 [0,1,0,1,0,0|2,0,0]=4 212 B9R1.8 OCCC1CCOCC1 62381 [0,1,0,1,0,0|1,0,0]=3 213 B9R1.8 OCCN1CCSCC1 O10852 [0,1,0,1,0,0|0,0,0]=2 214 B9R1.8 OCC[C@H]1CCCCN1 62347 [0,1,0,1,0,0|1,0,0]=3 215 B9R1.8 OCC[C@H]1CCCCN1 88407 [0,1,0,1,0,0|1,0,0]=3 216 B9R1.8 OCC[C@H]1CCCCN1 F30243 [0,1,0,1,0,0|1,0,0]=3 217 B9R1.8 OCC[C@H]1CCCNC1 W17542 [0,1,0,1,0,0|1,0,0]=3 218 B9R1.8 OCC[C@H]1CNCCN1 27755 [0,1,0,1,0,0|2,0,0]=4 219 B9R1.8 OCC[C@H]1CNCCO1 F13466 [0,1,0,1,0,0|2,0,0]=4 220 B9R1.118 CC1(CO)CCOCC1 31610 [0,1,0,1,0,0|2,0,0]=4 221 B9R1.118 CCC1(N)CCCCC1 21224 [0,1,0,1,0,0|2,0,0]=4 222 B9R1.118 CCC1(N)CCOCC1 P16087 [0,1,0,1,0,0|1,0,0]=3 223 B9R1.118 FC1(CBr)CCOCC1 P18901 [0,1,0,1,0,0|2,0,0]=4 224 B9R1.118 NC1(CO)CCOCC1 30407 [0,1,0,1,0,0|2,0,0]=4 225 B9R1.118 NCC1(F)CCOCC1 38680 [0,1,0,1,0,0|2,0,0]=4 226 B9R1.118 NCC1(O)CCOCC1 27391 [0,1,0,1,0,0|2,0,0]=4 227 B9R1.118 OCC1(F)CCOCC1 38679 [0,1,0,1,0,0|2,0,0]=4 228 B9R1.134 CCC[N+]1(C)CCCC1 56141 [0,1,0,1,0,0|1,0,1]=4 229 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 F16498 [0,0,0,2,0,0|2,0,0]=4 230 B9R2.39 OC1CC2CC1CN2 P15330 [0,0,0,2,0,0|2,0,0]=4 231 B9R2.39 OC1CC2CNC1C2 P20346 [0,0,0,2,0,0|2,0,0]=4 232 B9R2.39 O[C@H]1C[C@H]2CC[C@@H]1C2 P19938 [0,0,0,2,0,0|1,0,0]=3 233 B9R2.68 C1CC2CCC(C2)N1 N13361 [0,0,0,2,0,0|2,0,0]=4 234 B9R2.68 C1CN2CCC(C2)N1 38913 [0,0,0,2,0,0|1,0,0]=3 235 B9R2.110 NC12CCC(CC1)C2 W16245 [0,0,0,2,0,0|2,0,0]=4 236 B9R2.139 N[C@H]1CCC2(CC2)C1 D84821 [0,0,0,2,0,0|2,0,0]=4 237 B9R2.65 OCC1C2COCC12 69809 [0,0,0,2,0,0|2,0,0]=4 238 B9R2.65 OC[C@@H]1[C@@H]2COC[C@@H]21 P14535 [0,0,0,2,0,0|2,0,0]=4 239 B9R2.65 OC[C@@H]1[C@H]2CNC[C@H]21 37491 [0,0,0,2,0,0|2,0,0]=4 240 B9R2.65 OC[C@H]1[C@@H]2COC[C@H]12 37929 [0,0,0,2,0,0|2,0,0]=4 241 B9R2.3 C1CC2CNCC2O1 81212 [0,0,0,2,0,0|2,0,0]=4 242 B9R2.173 C1CC2(CCO2)CN1 39215 [0,0,0,2,0,0|2,0,0]=4 243 B9R2.173 C1C[C@@]2(CCO2)CN1 32848 [0,0,0,2,0,0|2,0,0]=4