0 B9R1.8 BrCCC1CCCCN1 CBR00714 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.8 C#CCN1CCNCC1 CDS011390 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.8 CCOC1CCNCC1 CBR01194 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.8 CNCC1CCOCC1 CDS009689 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.8 ClCCN1CCCCC1 PH010519 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.8 N#CCN1CCCCC1 S409871 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.8 N#CCN1CCOCC1 S353647 [0,0,0,0,0,0|1,0,1]=2 7 B9R1.8 N1CCC(CC1)CCC S409944 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.8 NCCC1CCCCC1 CDS013643 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.8 NCCC1CCCOC1 CDS009278 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.8 NCCC1CCOCC1 CDS006180 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.8 OCCC1CCCCO1 T177393 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.8 OCCC1CNCCO1 CDS009186 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.8 SCCN1CCOCC1 CDS010625 [0,0,0,0,0,0|0,1,0]=1 14 B8R1.2 BrCC1CCOCC1 CDS013754 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.2 C#CC1CCOCC1 CDS024231 [1,0,0,0,0,0|1,0,2]=4 16 B8R1.2 CNC1CCOCC1 CDS001741 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.2 NCC1CCOCC1 CDS003651 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.2 O=CC1CCOCC1 CDS020197 [1,0,0,0,0,0|1,0,2]=4 19 B8R1.2 OCC1CCCOC1 CDS015486 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.2 ON=C1CCSCC1 SYX00364 [1,0,0,0,0,0|2,1,0]=4 21 B8R1.2 SCC1CCCCC1 CDS020661 [1,0,0,0,0,0|2,1,0]=4 22 B8R1.2 SCN1CCCCC1 S302953 [1,0,0,0,0,0|1,1,0]=3 23 B8R1.2 SCN1CCOCC1 S276588 [1,0,0,0,0,0|0,1,0]=2 24 B8R1.2 [C-]#[N+]C1CCOCC1 PH015905 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.1 C#CCN1CCC(=O)CC1 CBR02098 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.1 C=CCN1CCC(=O)CC1 CDS014282 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.1 CCCN1CCC(CC1)C S647748 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.1 CCCN1CCC(CC1)N CDS003686 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.1 CCCN1CCC(CC1)O CDS023463 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.1 CN1CCC(CC1)CCN CDS022275 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.1 CN1CCN(CC1)CC#N VBP00098 [0,1,0,0,0,0|2,0,1]=4 32 B10R1.1 CN1CCN(CC1)CCBr CDS019712 [0,1,0,0,0,0|2,0,0]=3 33 B10R1.1 CN1CCN(CC1)CCCl PH019103 [0,1,0,0,0,0|2,0,0]=3 34 B10R1.1 CN1CCN(CC1)CCN CDS003000 [0,1,0,0,0,0|2,0,0]=3 35 B10R1.1 N#CCN1CCC(CC1)O CDS023038 [0,1,0,0,0,0|2,0,1]=4 36 B10R1.1 NCCN1CCC(CC1)O CDS002685 [0,1,0,0,0,0|2,0,0]=3 37 B10R1.4 CC1CCCCN1CCN PH015207 [0,1,0,0,0,0|2,0,0]=3 38 B10R1.4 CCCC1CCCCC1O S365769 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.4 NCCN1CCCCC1=O CBR02341 [0,1,0,0,0,0|2,0,1]=4 40 B10R1.10 CC1CCCN(C1)CC#N KOB0169 [0,1,0,0,0,0|2,0,1]=4 41 B10R1.15 CC(C#N)N1CCOCC1 PH010088 [0,1,0,0,0,0|1,0,1]=3 42 B10R1.15 CC(CN)N1CCCCC1 CDS009813 [0,1,0,0,0,0|2,0,0]=3 43 B10R1.15 CC(CO)C1CCCCC1 PH015232 [0,1,0,0,0,0|2,0,0]=3 44 B10R1.15 CCC(=O)N1CCNCC1 CDS004028 [0,1,0,0,0,0|2,0,1]=4 45 B10R1.15 CCC(O)C1CCCCC1 PH000035 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.15 CCC(O)C1CCNCC1 CBR00138 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.15 CNC(=S)N1CCOCC1 TMT00165 [0,1,0,0,0,0|2,0,1]=4 48 B10R1.15 NCC(=O)N1CCCCC1 CDS002437 [0,1,0,0,0,0|2,0,1]=4 49 B10R1.15 O=C(CBr)N1CCCCC1 CBR00242 [0,1,0,0,0,0|2,0,1]=4 50 B10R1.15 O=C(CI)N1CCCCC1 PH006191 [0,1,0,0,0,0|2,0,1]=4 51 B10R1.17 BrCCCC1CCCCC1 S345016 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.17 CCCCN1CCOCC1 S551961 [0,1,0,0,0,0|1,0,0]=2 53 B10R1.17 CCCNC1CCCCC1 CDS008806 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.17 CNCCN1CCOCC1 CDS008441 [0,1,0,0,0,0|1,0,0]=2 55 B10R1.17 COCCC1CCCCN1 CBR00752 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.17 Cl/C=C/CN1CCOCC1 PH007231 [0,1,0,0,0,0|1,0,1]=3 57 B10R1.17 ClCCCC1CCCCC1 R426857 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.17 N#CCCC1CCCCC1 PH010247 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.17 N#CCCN1CCCCC1 PH016680 [0,1,0,0,0,0|2,0,0]=3 60 B10R1.17 NOCCN1CCOCC1 T160970 [0,1,0,0,0,0|0,0,0]=1 61 B10R1.17 O=CCCC1CCCCC1 CDS019184 [0,1,0,0,0,0|2,0,1]=4 62 B10R1.17 OCCCC1CCCCN1 CBR01786 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.17 OCCCC1CCCNC1 CBR00005 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.17 OCCNC1CCCCC1 T308269 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.17 [C-]#[N+]CCN1CCCCC1 PH015020 [0,1,0,0,0,0|2,0,0]=3 66 B10R1.18 CC(=CN1CCOCC1)C S353698 [0,1,0,0,0,0|1,0,2]=4 67 B10R1.18 CC(=O)CN1CCCCC1 R433675 [0,1,0,0,0,0|1,0,2]=4 68 B10R1.18 CC(=O)CN1CCOCC1 CDS006278 [0,1,0,0,0,0|0,0,2]=3 69 B10R1.18 CC(C)CC1CCCCC1 S564869 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.18 CC(C)CN1CCOCC1 S518409 [0,1,0,0,0,0|1,0,0]=2 71 B10R1.18 CC(N)CN1CCOCC1 CBR00001 [0,1,0,0,0,0|1,0,0]=2 72 B10R1.18 CC(O)CN1CCCCC1 S418854 [0,1,0,0,0,0|1,0,0]=2 73 B10R1.18 CC(O)CN1CCOCC1 S362727 [0,1,0,0,0,0|0,0,0]=1 74 B10R1.18 NC(=O)CN1CCCCC1 OTV000055 [0,1,0,0,0,0|1,0,2]=4 75 B10R1.18 NC(=O)CN1CCNCC1 CDS002931 [0,1,0,0,0,0|1,0,2]=4 76 B10R1.18 NC(=S)CN1CCOCC1 OTV000700 [0,1,0,0,0,0|0,1,1]=3 77 B10R1.18 O=C(O)CC1CCNCC1 CBR01414 [0,1,0,0,0,0|2,0,1]=4 78 B10R1.18 O=C(O)CC1CCNCC1 CDS007853 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.18 O=C(O)CC1CCNCC1 CDS021798 [0,1,0,0,0,0|2,0,1]=4 80 B10R1.18 O=C(O)CC1CCOCC1 CDS006056 [0,1,0,0,0,0|1,0,1]=3 81 B10R1.18 O=C(O)CN1CCCCC1 CDS005123 [0,1,0,0,0,0|1,0,1]=3 82 B10R1.18 O=C(O)CN1CCCCC1 L481130 [0,1,0,0,0,0|1,0,1]=3 83 B10R1.18 O=C(O)CN1CCOCC1 ANV00112 [0,1,0,0,0,0|0,0,1]=2 84 B10R1.18 O=C(O)CN1CCOCC1 CDS007579 [0,1,0,0,0,0|0,0,1]=2 85 B10R1.18 OB(O)CC1CCCCC1 CDS004056 [0,1,0,0,0,0|3,0,0]=4 86 B8R0.1 CCCCN(C)CCN PH014575 [0,0,1,0,0,0|2,0,0]=3 87 B8R0.1 CCCCN(C)CCO PH017931 [0,0,1,0,0,0|1,0,0]=2 88 B8R0.4 C(=C/CCCCCO)\C T264652 [0,0,1,0,0,0|2,0,1]=4 89 B8R0.4 CC#CCCCCCO T264709 [0,0,1,0,0,0|2,0,1]=4 90 B8R0.4 CCCCCSCCO S357928 [0,0,1,0,0,0|2,0,0]=3 91 B8R0.4 CCNCCCCCO PH007898 [0,0,1,0,0,0|2,0,0]=3 92 B8R0.4 COCCCNCCO OTV000453 [0,0,1,0,0,0|2,0,0]=3 93 B8R0.4 CSCCCCCCO S931667 [0,0,1,0,0,0|3,0,0]=4 94 B8R0.22 C(=O)N(CCO)CCO S617296 [0,0,1,0,0,0|1,0,1]=3 95 B10R2.7 C1CCC2CCCC2C1 S457272 [0,0,0,1,0,0|3,0,0]=4 96 B10R2.7 C1CCC2NCCC2C1 CDS003552 [0,0,0,1,0,0|3,0,0]=4 97 B10R2.7 C1CC[C@@H]2CCC[C@@H]2C1 R289825 [0,0,0,1,0,0|3,0,0]=4 98 B10R2.7 C1CC[C@H]2CCCC2C1 R289841 [0,0,0,1,0,0|3,0,0]=4 99 B10R2.62 OC1CC2CCC1CC2 PH008493 [0,0,0,1,0,0|2,0,0]=3 100 B8R1.8 CCNC1CCCC1 CBR00868 [0,0,0,0,1,0|3,0,0]=4 101 B8R1.8 CNCC1CCOC1 CBR01975 [0,0,0,0,1,0|3,0,0]=4 102 B8R1.8 ClCCN1CCCC1 CDS008148 [0,0,0,0,1,0|1,0,0]=2 103 B8R1.8 NCCC1CCCC1 CDS008185 [0,0,0,0,1,0|2,0,0]=3 104 B8R1.8 NCCC1CCCC1 T175072 [0,0,0,0,1,0|2,0,0]=3 105 B8R1.8 OCCN1CCOC1 PH015317 [0,0,0,0,1,0|0,0,0]=1 106 B10R1.85 CCCN1CCCNCC1 PH014388 [0,0,0,0,0,1|2,0,0]=3 107 B10R1.85 ClCCN1CCCCCC1 CDS001460 [0,0,0,0,0,1|2,0,0]=3 108 B10R1.85 N#CCN1CCCCCC1 S369071 [0,0,0,0,0,1|2,0,1]=4 109 B10R1.85 NCCC1CCCCCC1 CBR01497 [0,0,0,0,0,1|3,0,0]=4 110 B10R1.85 OCCN1CCCCCC1 S362328 [0,0,0,0,0,1|1,0,0]=2 111 B7R0.1 C/C=C\CCCCO S310700 [1,0,1,0,0,0|1,0,1]=4 112 B7R0.1 CCCCSCCC S367192 [1,0,1,0,0,0|2,0,0]=4 113 B7R0.1 CCCCSCCO S527408 [1,0,1,0,0,0|1,0,0]=3 114 B7R0.1 CCOCCCNN PH019429 [1,0,1,0,0,0|2,0,0]=4 115 B7R0.1 CCSCCSCC S347876 [1,0,1,0,0,0|1,1,0]=4 116 B7R0.1 CNCCCCCO PH007838 [1,0,1,0,0,0|2,0,0]=4 117 B7R0.1 CNCCNCCO S522449 [1,0,1,0,0,0|1,0,0]=3 118 B7R0.1 COCCCCCO PH003271 [1,0,1,0,0,0|1,0,0]=3 119 B7R0.1 COCCOCCN CDS022898 [1,0,1,0,0,0|2,0,0]=4 120 B7R0.1 COCCSCCO PH010752 [1,0,1,0,0,0|1,0,0]=3 121 B7R0.1 NCCCNCCO S446831 [1,0,1,0,0,0|1,0,0]=3 122 B7R0.1 NCCNCCCO CDS000635 [1,0,1,0,0,0|2,0,0]=4 123 B7R0.1 OCCCNCCO S408409 [1,0,1,0,0,0|1,0,0]=3 124 B7R0.7 CCCC(S)CCO CDS001520 [1,0,1,0,0,0|2,0,0]=4 125 B7R0.7 CCOC(C)CCO S322008 [1,0,1,0,0,0|2,0,0]=4 126 B7R0.12 CCN(CC)COC S433551 [1,0,1,0,0,0|2,0,0]=4 127 B7R0.12 NCCN(CC)CC S727369 [1,0,1,0,0,0|1,0,0]=3 128 B7R1.3 NC1CCOCC1 CDS006264 [2,0,0,0,0,0|2,0,0]=4 129 B7R1.3 SC1CCOCC1 CDS023754 [2,0,0,0,0,0|1,1,0]=4 130 B9R0.5 C(=C(\C)/COCOC)\CO T271403 [0,1,1,0,0,0|1,0,1]=4 131 B9R0.18 CNCCN(C)CCNC S388483 [0,1,1,0,0,0|2,0,0]=4 132 B9R0.18 COCCN(O)CCOC PH004050 [0,1,1,0,0,0|1,0,0]=3 133 B9R0.40 CCCCN(C=O)CCO PH000614 [0,1,1,0,0,0|1,0,1]=4 134 B9R0.40 CCN(CCO)CCCN PH009963 [0,1,1,0,0,0|2,0,0]=4 135 B9R0.45 CCC#CCCOCCO S722189 [0,1,1,0,0,0|2,0,0]=4 136 B9R0.45 CCCCCCCCON PH014161 [0,1,1,0,0,0|2,0,0]=4 137 B9R0.45 CCCCCCSCCO S362344 [0,1,1,0,0,0|2,0,0]=4 138 B9R0.45 CCCCCNCCC#N PH011475 [0,1,1,0,0,0|2,0,0]=4 139 B9R0.45 CCCCCNCCCC OTV000733 [0,1,1,0,0,0|2,0,0]=4 140 B9R0.45 CCCCNCCCCO PH011467 [0,1,1,0,0,0|2,0,0]=4 141 B9R0.15 C=CCN(CCO)C(C)C PH008706 [0,1,1,0,0,0|1,0,1]=4 142 B9R0.17 C=CCN(CCO)CCO S553182 [0,1,1,0,0,0|0,0,1]=3 143 B9R0.17 CCCN(CCC)CCC S429384 [0,1,1,0,0,0|2,0,0]=4 144 B9R0.17 CCCN(CCC)CCC S503630 [0,1,1,0,0,0|2,0,0]=4 145 B9R0.17 CCCN(CCC)CCN PH014853 [0,1,1,0,0,0|2,0,0]=4 146 B9R0.17 NCCN(CCO)CCO S764817 [0,1,1,0,0,0|0,0,0]=2 147 B9R0.17 OCC[S+](CCO)CCO S501964 [0,1,1,0,0,0|1,0,0]=3 148 B9R1.1 CCC1CCC(CC1)N CDS002619 [1,1,0,0,0,0|2,0,0]=4 149 B9R1.1 CCC1CCC(CC1)O S504939 [1,1,0,0,0,0|2,0,0]=4 150 B9R1.1 CCN1CCC(CC1)C S647713 [1,1,0,0,0,0|1,0,0]=3 151 B9R1.1 CCN1CCC(CC1)O CDS021469 [1,1,0,0,0,0|1,0,0]=3 152 B9R1.1 CC[C@H]1CC[C@@H](CC1)O CDS000137 [1,1,0,0,0,0|2,0,0]=4 153 B9R1.1 O=C1CCC(CC1)CO CDS017814 [1,1,0,0,0,0|2,0,0]=4 154 B9R1.1 OC[C@H]1CC[C@@H](CC1)O T184683 [1,1,0,0,0,0|2,0,0]=4 155 B9R1.1 OC[C@H]1CC[C@H](CC1)O T184624 [1,1,0,0,0,0|2,0,0]=4 156 B9R1.2 CCN1CCCC(C1)Cl S443654 [1,1,0,0,0,0|1,0,0]=3 157 B9R1.6 CC(C)C1CCNCC1 CDS000108 [1,1,0,0,0,0|2,0,0]=4 158 B9R1.6 S=C([S-])N1CCOCC1 S353620 [1,1,0,0,0,0|0,1,1]=4 159 B9R1.15 OC[C@H]1CCNC[C@H]1O CBR01689 [1,1,0,0,0,0|2,0,0]=4 160 B9R1.118 CC1(CCNCC1)CO CBR01674 [1,1,0,0,0,0|2,0,0]=4 161 B9R1.118 CCC1(CCCCC1)O S408468 [1,1,0,0,0,0|2,0,0]=4 162 B9R1.118 CCC1(CCNCC1)C CBR00049 [1,1,0,0,0,0|2,0,0]=4 163 B9R1.118 CC[N+]1(CCCCC1)C S301434 [1,1,0,0,0,0|1,0,1]=4 164 B9R1.118 NC1(CCOCC1)CO PHB00225 [1,1,0,0,0,0|1,0,0]=3 165 B9R1.118 NCC1(CCOCC1)F PHB00226 [1,1,0,0,0,0|2,0,0]=4 166 B9R1.7 CCCN1CCC(C1)N CBR01729 [0,1,0,0,1,0|1,0,0]=3 167 B9R1.11 O=C(CCl)N1CCCC1 OTV000117 [0,1,0,0,1,0|1,0,1]=4 168 B9R1.12 C=CCCN1CCCC1 S342858 [0,1,0,0,1,0|1,0,0]=3 169 B9R1.12 CCCNC1CCCC1 CBR00869 [0,1,0,0,1,0|2,0,0]=4 170 B9R1.12 NCCCC1CCCC1 CBR01730 [0,1,0,0,1,0|2,0,0]=4 171 B9R1.12 NCCCC1CCOC1 T325317 [0,1,0,0,1,0|2,0,0]=4 172 B9R1.12 NCCCN1CCCC1 CDS003189 [0,1,0,0,1,0|1,0,0]=3 173 B9R1.12 NNCCN1CCCC1 PH017235 [0,1,0,0,1,0|1,0,0]=3 174 B9R1.12 O=CCCC1CCCC1 CDS023037 [0,1,0,0,1,0|1,0,1]=4 175 B9R1.13 C=C(Cl)CN1CCCC1 PH012633 [0,1,0,0,1,0|1,0,1]=4 176 B9R1.13 CC(N)CN1CCCC1 CBR01743 [0,1,0,0,1,0|1,0,0]=3 177 B9R1.13 CC(O)CN1CCCC1 S370576 [0,1,0,0,1,0|0,0,0]=2 178 B9R1.13 O=C(O)CN1CCCC1 ANV00142 [0,1,0,0,1,0|0,0,1]=3 179 B9R1.13 O=C(O)CN1CCCC1 L481092 [0,1,0,0,1,0|0,0,1]=3 180 B9R1.33 CC1CCCN1CCO PH015834 [0,1,0,0,1,0|0,0,0]=2 181 B9R1.33 NCCN1CCOC1=O CBR01024 [0,1,0,0,1,0|1,0,1]=4 182 B9R1.33 O=C1CCCN1CCBr CDS019689 [0,1,0,0,1,0|1,0,1]=4 183 B9R1.33 O=C1OCCN1CCO CDS013723 [0,1,0,0,1,0|0,0,1]=3 184 B9R1.33 OCCN1CCNC1=S S372102 [0,1,0,0,1,0|1,0,1]=4 185 B9R1.134 CCCC1(CCCC1)O S416991 [0,1,0,0,1,0|2,0,0]=4 186 B9R1.134 NCCC1(CCCC1)O CBR00021 [0,1,0,0,1,0|2,0,0]=4 187 B11R1.135 CN1CCCN(CC1)CCN PH016273 [0,1,0,0,0,1|2,0,0]=4 188 B11R1.203 CNCCN1CCCCCC1 PH017966 [0,1,0,0,0,1|2,0,0]=4 189 B11R1.203 N#CCCN1CCCCCC1 S369098 [0,1,0,0,0,1|2,0,0]=4 190 B11R1.203 NCCCN1CCCCCC1 PH005125 [0,1,0,0,0,1|2,0,0]=4 191 B11R1.203 OCCCN1CCCCCC1 CBR00469 [0,1,0,0,0,1|1,0,0]=3 192 B11R1.742 CC(O)CN1CCCCCC1 S350524 [0,1,0,0,0,1|1,0,0]=3 193 B11R1.742 O=C(O)CN1CCCCCC1 CBR00324 [0,1,0,0,0,1|1,0,1]=4 194 B11R1.1 CC1CCN(CC1)CCCN CDS001621 [0,2,0,0,0,0|2,0,0]=4 195 B11R1.1 CCCCN1CCC(CC1)C S647756 [0,2,0,0,0,0|2,0,0]=4 196 B11R1.1 CN1CCN(CC1)CCCCl CDS014533 [0,2,0,0,0,0|2,0,0]=4 197 B11R1.1 CN1CCN(CC1)CCCO ANV00016 [0,2,0,0,0,0|1,0,0]=3 198 B11R1.1 CN1CCN(CC1)CCCO CDS004562 [0,2,0,0,0,0|1,0,0]=3 199 B11R1.1 CNCCN1CCC(CC1)C CBR00050 [0,2,0,0,0,0|2,0,0]=4 200 B11R1.1 NCCCN1CCC(CC1)O CBR01360 [0,2,0,0,0,0|2,0,0]=4 201 B11R1.20 NC1CCN(CC1)CC(=O)O CBR00672 [0,2,0,0,0,0|1,0,1]=4 202 B11R1.22 CCC(C)N1CCC(CC1)N PH019192 [0,2,0,0,0,0|2,0,0]=4 203 B11R1.82 NCCN1CCS(=O)(=O)CC1 CDS000122 [0,2,0,0,0,0|1,1,0]=4 204 B11R1.83 CCC1CCN(CC1)CCN CBR01506 [0,2,0,0,0,0|2,0,0]=4 205 B11R1.83 CCN1CCN(CC1)CCN CDS002709 [0,2,0,0,0,0|2,0,0]=4 206 B11R1.83 COC1CCN(CC1)CCN PH015467 [0,2,0,0,0,0|2,0,0]=4 207 B11R1.83 NCC1CCN(CC1)CCO CBR01881 [0,2,0,0,0,0|1,0,0]=3 208 B11R1.83 NCCN1CCC(CC1)CO CBR00284 [0,2,0,0,0,0|2,0,0]=4 209 B11R1.17 CC1CCCCN1CCCO S353426 [0,2,0,0,0,0|1,0,0]=3 210 B11R1.86 CC(O)CN1CCCCC1C PH015080 [0,2,0,0,0,0|1,0,0]=3 211 B11R1.605 CC1CCCC(N1CCN)C PH015314 [0,2,0,0,0,0|2,0,0]=4 212 B11R1.605 C[C@H]1CCC[C@H](N1CCN)C PH015712 [0,2,0,0,0,0|2,0,0]=4 213 B11R1.34 CC1CN(CC(N1)C)CCO PH015312 [0,2,0,0,0,0|1,0,0]=3 214 B11R1.34 CC1CN(CC(O1)C)CCN CBR00131 [0,2,0,0,0,0|1,0,0]=3 215 B11R1.34 CC1CN(CC(O1)C)CCO S527483 [0,2,0,0,0,0|0,0,0]=2 216 B11R1.34 C[C@H]1CN(C[C@H](O1)C)CCN CDS004749 [0,2,0,0,0,0|1,0,0]=3 217 B11R1.157 CC1CCCN(C1)CC(=O)O CBR00247 [0,2,0,0,0,0|1,0,1]=4 218 B11R1.189 NCCN1CCCC(C1)CO CBR01408 [0,2,0,0,0,0|2,0,0]=4 219 B11R1.7 CC(C)(C#N)N1CCOCC1 PH006881 [0,2,0,0,0,0|1,0,1]=4 220 B11R1.7 CC(C)(C=O)N1CCOCC1 CDS013795 [0,2,0,0,0,0|0,0,2]=4 221 B11R1.7 CC(C)(CN)N1CCCCC1 CDS001697 [0,2,0,0,0,0|2,0,0]=4 222 B11R1.7 CC(C)(CO)N1CCOCC1 CBR01801 [0,2,0,0,0,0|0,0,0]=2 223 B11R1.7 CCS(=O)(=O)N1CCOCC1 S799998 [0,2,0,0,0,0|2,0,0]=4 224 B11R1.12 CCC(CN)N1CCCCC1 CBR01332 [0,2,0,0,0,0|2,0,0]=4 225 B11R1.12 CCC(CN)N1CCOCC1 CBR00406 [0,2,0,0,0,0|1,0,0]=3 226 B11R1.12 NCC(CO)C1CCCCC1 PH015132 [0,2,0,0,0,0|2,0,0]=4 227 B11R1.16 CCCC(C)N1CCNCC1 CDS004840 [0,2,0,0,0,0|2,0,0]=4 228 B11R1.16 CCNC(=S)N1CCOCC1 TMT00068 [0,2,0,0,0,0|1,0,1]=4 229 B11R1.16 CN(CCO)C1CCNCC1 CBR00659 [0,2,0,0,0,0|2,0,0]=4 230 B11R1.16 N#CCC(=O)N1CCOCC1 S429880 [0,2,0,0,0,0|1,0,1]=4 231 B11R1.16 NC(CCO)C1CCCCC1 BBO000388 [0,2,0,0,0,0|2,0,0]=4 232 B11R1.16 NC(CCO)C1CCCCC1 BBO000750 [0,2,0,0,0,0|2,0,0]=4 233 B11R1.16 O=C(CCCl)N1CCSCC1 R305197 [0,2,0,0,0,0|1,1,0]=4 234 B11R1.36 CC(C(=O)O)N1CCOCC1 CBR00946 [0,2,0,0,0,0|0,0,1]=3 235 B11R1.36 CC(O)C(=O)N1CCCCC1 PH010530 [0,2,0,0,0,0|1,0,1]=4 236 B11R1.36 CC(O)C(C)C1CCCCC1 R228133 [0,2,0,0,0,0|2,0,0]=4 237 B11R1.36 CC(O)C(C)C1CCCCC1 S325317 [0,2,0,0,0,0|2,0,0]=4 238 B11R1.36 NC(C(=O)O)C1CCOCC1 CDS008666 [0,2,0,0,0,0|1,0,1]=4 239 B11R1.36 O=C(C(Cl)Cl)N1CCOCC1 PH009496 [0,2,0,0,0,0|1,0,1]=4 240 B11R1.36 O=C(O)C(=O)N1CCOCC1 CDS023248 [0,2,0,0,0,0|0,0,2]=4 241 B11R1.28 CCCCCN1CCNCC1 CDS004779 [0,2,0,0,0,0|2,0,0]=4 242 B11R1.28 CCNCCN1CCCCC1 CBR02321 [0,2,0,0,0,0|2,0,0]=4 243 B11R1.28 CCNCCN1CCOCC1 CBR01294 [0,2,0,0,0,0|1,0,0]=3 244 B11R1.28 CNCCCN1CCOCC1 CBR02299 [0,2,0,0,0,0|1,0,0]=3 245 B11R1.28 N#CCCCN1CCCCC1 S354856 [0,2,0,0,0,0|2,0,0]=4 246 B11R1.28 N#CCCCN1CCOCC1 S353663 [0,2,0,0,0,0|1,0,0]=3 247 B11R1.28 NCCCCN1CCCCC1 PH002408 [0,2,0,0,0,0|2,0,0]=4 248 B11R1.28 NNCCCN1CCOCC1 PH019516 [0,2,0,0,0,0|1,0,0]=3 249 B11R1.28 OCCCCN1CCNCC1 CBR00630 [0,2,0,0,0,0|1,0,0]=3 250 B11R1.28 OCCCCN1CCNCC1 PH019353 [0,2,0,0,0,0|1,0,0]=3 251 B11R1.28 [C-]#[N+]CCCN1CCOCC1 PH015485 [0,2,0,0,0,0|1,0,0]=3 252 B11R1.28 [N-]=[N+]=NCCN1CCOCC1 CDS005526 [0,2,0,0,0,0|1,0,0]=3 253 B11R1.40 CC(CCl)CN1CCCCC1 PH014097 [0,2,0,0,0,0|2,0,0]=4 254 B11R1.40 CC(CN)CN1CCCCC1 PH010487 [0,2,0,0,0,0|2,0,0]=4 255 B11R1.40 CC(CN)CN1CCOCC1 OTV000606 [0,2,0,0,0,0|1,0,0]=3 256 B11R1.40 CCC(N)CN1CCCCC1 CDS001860 [0,2,0,0,0,0|2,0,0]=4 257 B11R1.40 COC(=O)CN1CCNCC1 CBR01724 [0,2,0,0,0,0|1,0,1]=4 258 B11R1.40 NNC(=O)CN1CCOCC1 CBR01496 [0,2,0,0,0,0|0,0,2]=4 259 B11R1.40 OCC(O)CN1CCNCC1 PH015129 [0,2,0,0,0,0|1,0,0]=3 260 B11R1.91 CC(=O)CCN1CCCCC1 S429961 [0,2,0,0,0,0|1,0,1]=4 261 B11R1.91 CC(N)CCN1CCOCC1 CBR01728 [0,2,0,0,0,0|1,0,0]=3 262 B11R1.91 CC(O)CNC1CCCCC1 PH010876 [0,2,0,0,0,0|2,0,0]=4 263 B11R1.91 CC(O)CNC1CCCCC1 S509108 [0,2,0,0,0,0|2,0,0]=4 264 B11R1.91 NC(=O)CCN1CCNCC1 PH015744 [0,2,0,0,0,0|1,0,1]=4 265 B11R1.91 NC(=S)CCN1CCOCC1 OTV000115 [0,2,0,0,0,0|0,1,0]=3 266 B11R1.91 O=C(O)CCN1CCCCO1 CBR02338 [0,2,0,0,0,0|2,0,0]=4 267 B11R1.91 O=C(O)CCN1CCOCC1 L481122 [0,2,0,0,0,0|0,0,0]=2 268 B11R1.509 CC(C)(N)CN1CCOCC1 CBR01946 [0,2,0,0,0,0|1,0,0]=3 269 B11R1.509 O=P(O)(O)CN1CCOCC1 PH012838 [0,2,0,0,0,0|1,0,0]=3 270 B11R1.928 NC1(CCOCC1)CC(=O)O CBR02168 [0,2,0,0,0,0|1,0,1]=4 271 B9R1.49 CN1CCCN(CC1)C S347000 [0,0,1,1,0,0|2,0,0]=4 272 B9R1.69 CC1CN(CCN1C)C S365289 [0,0,1,1,0,0|2,0,0]=4 273 B9R1.14 CCN1CCC[C@H]1CO CBR02172 [0,0,1,1,0,0|2,0,0]=4 274 B9R1.89 CCC1CCCNCC1 CBR01788 [0,0,1,1,0,0|2,0,0]=4 275 B9R1.89 CCN1CCCNCC1 CBR02337 [0,0,1,1,0,0|2,0,0]=4 276 B9R2.68 C1CN2CCC(C2)N1 CBR01721 [1,0,0,1,0,0|1,0,0]=3 277 B9R2.123 C1(C2C1CCCC2)C T180793 [1,0,0,1,0,0|2,0,0]=4 278 B9R2.3 C1CN2CCOC2O1 S445509 [0,0,0,1,1,0|0,0,0]=2 279 B9R2.39 [C@@H]12CCN(C1)C[C@H]2O PH007931 [0,0,0,1,1,0|0,0,0]=2 280 B11R2.1242 C1=CCCC2(CC1)CCO2 T272221 [0,0,0,1,0,1|2,0,0]=4 281 B11R2.34 OC1CCN(CC1)C2CC2 CDS024119 [0,1,0,1,0,0|2,0,0]=4 282 B11R2.36 C[C@@H]1CN2CCC[C@@H]2CN1 PH018826 [0,1,0,1,0,0|2,0,0]=4 283 B11R2.164 O/N=C\1/CN2CCC1CC2 PH008412 [0,1,0,1,0,0|1,0,1]=4 284 B11R2.10 OC1CC2CCCCN2C1 CDS024575 [0,1,0,1,0,0|1,0,0]=3 285 B11R2.20 C1CCC2OCCNC2C1 CDS019792 [0,1,0,1,0,0|2,0,0]=4 286 B11R2.20 C1CCC2OCOCC2C1 S699276 [0,1,0,1,0,0|2,0,0]=4 287 B11R2.20 C1CCN2CCNCC2C1 T165344 [0,1,0,1,0,0|2,0,0]=4 288 B11R2.106 CC1NCCN2C1CCC2 CBR01507 [0,1,0,1,0,0|2,0,0]=4 289 B11R2.248 OCCC1CC2CCC1C2 S455563 [0,1,0,1,0,0|2,0,0]=4 290 B11R2.248 OCCN1CC2CCC1C2 CBR01377 [0,1,0,1,0,0|1,0,0]=3 291 B11R2.239 C1CC(C1)N2CCNCC2 CDS022254 [0,1,0,1,0,0|2,0,0]=4 292 B11R2.239 C1CCN(CC1)C2CNC2 CBR02366 [0,1,0,1,0,0|2,0,0]=4 293 B11R2.367 C12CCN(CC1)[C@H]([C@@H]2N)C PH015260 [0,1,0,1,0,0|2,0,0]=4 294 B11R2.367 CC1C(C2CCN1CC2)O S461245 [0,1,0,1,0,0|1,0,0]=3 295 B11R2.367 C[C@H]1[C@@H](C2CCN1CC2)N PH019368 [0,1,0,1,0,0|2,0,0]=4 296 B11R2.238 C1CN(CCO1)CC2CO2 CDS003115 [0,1,0,1,0,0|0,0,0]=2 297 B11R3.19 OC1CC2CC1C3C2C3 T226092 [0,0,0,2,0,0|2,0,0]=4 298 B7R1.1 BrCC1CCCC1 CDS005521 [1,0,0,0,1,0|2,0,0]=4 299 B7R1.1 CC=C1CCCC1 S431559 [1,0,0,0,1,0|1,0,1]=4 300 B7R1.1 CNC1CCCC1 CDS004583 [1,0,0,0,1,0|2,0,0]=4 301 B7R1.1 ClCC1CCOC1 CDS022549 [1,0,0,0,1,0|2,0,0]=4 302 B7R1.1 NCC1CCCC1 SYX00193 [1,0,0,0,1,0|2,0,0]=4 303 B7R1.1 OCC1CCCN1 CDS000339 [1,0,0,0,1,0|2,0,0]=4 304 B7R1.6 NCCC1CCC1 CBR02277 [0,0,0,0,2,0|2,0,0]=4