0 B7R0.1 C#CCNCCCN AT19978 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.1 C#CCOCCNC AT20730 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.1 C#CCOCCON C70682 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.1 C=CCCCCCCl I11994 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.1 C=CCCCCCO F14745 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.1 C=CC\C=C\CCC T72633 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.1 CNCCCCCO AT11157 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.1 CNCCCCCO AT11158 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.1 COCCNCCO AT12488 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.1 COCCOCCN F50617 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.1 COCCOCCS AT10124 [0,0,0,0,0,0|1,1,0]=2 11 B7R0.1 C\C=C/CCCCC T72919 [0,0,0,0,0,0|2,0,2]=4 12 B7R0.1 ClCCSSCCCl AT21151 [0,0,0,0,0,0|3,1,0]=4 13 B7R0.1 NCCSCCCO AT25557 [0,0,0,0,0,0|2,1,0]=3 14 B7R0.1 NCCSSCCN AT21144 [0,0,0,0,0,0|3,1,0]=4 15 B7R0.1 O=CCCCCCCl 24359 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.1 OCCCCCCI AT14272 [0,0,0,0,0,0|2,0,0]=2 17 B7R0.1 OCCCNCCO FD7298 [0,0,0,0,0,0|2,0,0]=2 18 B7R0.1 OCC\C=C\CCO AT19969 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.6 C#CCCCCN D76652 [1,0,0,0,0,0|1,0,2]=4 20 B6R0.6 C#CCNCCO AT20718 [1,0,0,0,0,0|1,0,2]=4 21 B6R0.6 C#CCSCCO AT19948 [1,0,0,0,0,0|0,1,2]=4 22 B6R0.6 CCNCCSC AT25567 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.6 CCOCCNN AC6859 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.6 CCOCCON AT14482 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.6 CNCCCC#N AB10346 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.6 CNCCCOC F15969 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.6 COCCCC#N C77649 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.6 COCCCCN C77605 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.6 COCCCON AT14486 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.6 C\C=C/CCCCl T71143 [1,0,0,0,0,0|1,0,2]=4 31 B6R0.6 ClCCNCCCl AB10357 [1,0,0,0,0,0|3,0,0]=4 32 B6R0.6 N#CCCCCN AC2033 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.6 NCCOCCF AT12496 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.6 NCCSCCO AT25550 [1,0,0,0,0,0|1,1,0]=3 35 B6R0.6 O=CNCCCO AC9004 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.6 OCCNCCO AB10274 [1,0,0,0,0,0|2,0,0]=3 37 B6R0.6 OCCOCCI C77657 [1,0,0,0,0,0|1,0,0]=2 38 B6R0.6 [2H]OCCCCC D99155 [1,0,0,0,0,0|2,0,0]=3 39 B8R0.1 CCCC[C@H](N)CCO D73273 [0,1,0,0,0,0|1,0,0]=2 40 B8R0.1 CCNC(=O)NCCO AT23087 [0,1,0,0,0,0|2,0,1]=4 41 B8R0.4 C=CCCNCCOC E72576 [0,1,0,0,0,0|1,0,2]=4 42 B8R0.4 CCC#CCCCCC T72039 [0,1,0,0,0,0|2,0,1]=4 43 B8R0.4 CNCCCCCCO AT11159 [0,1,0,0,0,0|1,0,0]=2 44 B8R0.4 COCCNCCCO FD7300 [0,1,0,0,0,0|2,0,0]=3 45 B8R0.4 ClCCCCCCCCl T71360 [0,1,0,0,0,0|2,0,0]=3 46 B8R0.4 NCCCCCCCO AT22494 [0,1,0,0,0,0|1,0,0]=2 47 B8R0.4 OCCCOCCCCl D84666 [0,1,0,0,0,0|1,0,0]=2 48 B8R0.4 [N-]=[N+]=NCCOCCN C70235 [0,1,0,0,0,0|3,0,0]=4 49 B8R0.6 C#CCOC[C@@H](O)CO C14643 [0,1,0,0,0,0|2,0,1]=4 50 B8R0.6 C#C[C@@H](O)CCCCC 51060 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.6 C#C[C@@H](O)CCCCC T72294 [0,1,0,0,0,0|2,0,1]=4 52 B8R0.6 CC[C@H](C)CCCCO T72651 [0,1,0,0,0,0|1,0,0]=2 53 B8R0.6 N#C[C@@H](O)CCCCO AC4705 [0,1,0,0,0,0|2,0,1]=4 54 B8R0.7 C#CCOCCN(C)C AT20728 [0,1,0,0,0,0|2,0,1]=4 55 B8R0.7 CCCCC#CC(=O)O T71801 [0,1,0,0,0,0|1,0,2]=4 56 B8R0.7 CCCCNCC(=O)O D87235 [0,1,0,0,0,0|1,0,1]=3 57 B8R0.7 NC(=O)CCCCCO AC6170 [0,1,0,0,0,0|2,0,1]=4 58 B8R0.7 O=C(O)CCOCCBr C70446 [0,1,0,0,0,0|2,0,1]=4 59 B8R0.7 O=C(O)CCOCCO C70447 [0,1,0,0,0,0|1,0,1]=3 60 B8R0.7 OCCCCOC(F)F 89957 [0,1,0,0,0,0|3,0,0]=4 61 B8R0.7 OCCCOCC(F)F AT25477 [0,1,0,0,0,0|2,0,0]=3 62 B8R0.7 [2H][C@H](Br)CCCCCC D99523 [0,1,0,0,0,0|2,0,0]=3 63 B8R0.7 [2H][C@H](O)CCCCCC D99646 [0,1,0,0,0,0|1,0,0]=2 64 B8R1.2 BrCC1CCNCC1 30601 [0,0,0,1,0,0|3,0,0]=4 65 B8R1.2 CC[C@H]1CCCCN1 N11156 [0,0,0,1,0,0|2,0,0]=3 66 B8R1.2 CC[C@H]1CNCCO1 D75750 [0,0,0,1,0,0|1,0,0]=2 67 B8R1.2 CC[C@H]1COCCN1 F19074 [0,0,0,1,0,0|1,0,0]=2 68 B8R1.2 CNC1CCCCC1 S12279 [0,0,0,1,0,0|3,0,0]=4 69 B8R1.2 ClC[C@H]1CNCCO1 F13328 [0,0,0,1,0,0|2,0,0]=3 70 B8R1.2 ICC1CCNCC1 AC3914 [0,0,0,1,0,0|3,0,0]=4 71 B8R1.2 N#C[C@@H]1CNCCO1 F18992 [0,0,0,1,0,0|2,0,1]=4 72 B8R1.2 N#C[C@@H]1CNCCO1 F19038 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.2 N#C[C@H]1CCCOC1 94853 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.2 NC[C@H]1CCC=CO1 P10036 [0,0,0,1,0,0|1,0,2]=4 75 B8R1.2 NN[C@H]1CCCOC1 C93323 [0,0,0,1,0,0|3,0,0]=4 76 B8R1.2 NO[C@H]1CCCOC1 97661 [0,0,0,1,0,0|3,0,0]=4 77 B8R1.2 OCC1=CCCCO1 S11090 [0,0,0,1,0,0|0,0,2]=3 78 B8R1.2 OC[C@H]1CNCCN1 I11797 [0,0,0,1,0,0|2,0,0]=3 79 B8R1.2 OC[C@H]1COCCO1 D82528 [0,0,0,1,0,0|1,0,0]=2 80 B8R1.2 SCC1CCOCC1 P16932 [0,0,0,1,0,0|2,1,0]=4 81 B8R1.5 CC1CCNCC1O 38881 [0,0,0,1,0,0|1,0,0]=2 82 B8R1.5 CC1COCCC1N F13602 [0,0,0,1,0,0|2,0,0]=3 83 B8R1.5 CC1NCCCC1O W19147 [0,0,0,1,0,0|2,0,0]=3 84 B8R1.5 C[C@@H]1CCNC[C@@H]1O 38884 [0,0,0,1,0,0|1,0,0]=2 85 B8R1.5 C[C@@H]1CNCC[C@@H]1O A11539 [0,0,0,1,0,0|2,0,0]=3 86 B8R1.5 C[C@H]1CCNCC1=O P13522 [0,0,0,1,0,0|1,0,2]=4 87 B8R1.5 C[C@H]1CCNC[C@@H]1O P12384 [0,0,0,1,0,0|1,0,0]=2 88 B8R1.5 C[C@H]1CCNC[C@@H]1O W19323 [0,0,0,1,0,0|1,0,0]=2 89 B8R1.5 C[C@H]1CCOCC1=O F53480 [0,0,0,1,0,0|0,0,2]=3 90 B8R1.5 NC1CCCCC1O F13372 [0,0,0,1,0,0|2,0,0]=3 91 B8R1.5 NC1CCOCC1O AT20154 [0,0,0,1,0,0|1,0,0]=2 92 B8R1.5 N[C@@H]1CCCC[C@@H]1F AT23366 [0,0,0,1,0,0|3,0,0]=4 93 B8R1.5 N[C@@H]1CCCC[C@@H]1O F53834 [0,0,0,1,0,0|2,0,0]=3 94 B8R1.5 N[C@H]1CCNC[C@@H]1O D76889 [0,0,0,1,0,0|2,0,0]=3 95 B8R1.5 N[C@H]1CCOC[C@@H]1O AT20174 [0,0,0,1,0,0|1,0,0]=2 96 B8R1.5 N[C@H]1CCOC[C@@H]1O P19349 [0,0,0,1,0,0|1,0,0]=2 97 B8R1.5 O[C@H]1CNCC[C@H]1O 37852 [0,0,0,1,0,0|2,0,0]=3 98 B8R1.8 CCCC1=NCCO1 T72500 [0,0,0,1,0,0|1,0,1]=3 99 B8R1.8 CCC[C@H]1CCCN1 N12832 [0,0,0,1,0,0|2,0,0]=3 100 B8R1.8 CNCC1CCCC1 A11546 [0,0,0,1,0,0|3,0,0]=4 101 B8R1.8 COC[C@H]1CCCN1 C77885 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.8 N#CC[C@H]1CCCO1 35201 [0,0,0,1,0,0|2,0,1]=4 103 B8R1.8 NCCC1CCCC1 23497 [0,0,0,1,0,0|2,0,0]=3 104 B8R1.8 NCC[C@H]1CCCO1 AT11471 [0,0,0,1,0,0|2,0,0]=3 105 B8R1.8 O=CCN1CCCC1 AC9721 [0,0,0,1,0,0|1,0,2]=4 106 B8R1.8 OCC[C@H]1CCCO1 56770 [0,0,0,1,0,0|2,0,0]=3 107 B8R1.8 OCC[C@H]1CCNC1 C16745 [0,0,0,1,0,0|2,0,0]=3 108 B8R1.8 OCC[C@H]1CCNC1 D84329 [0,0,0,1,0,0|2,0,0]=3 109 B8R1.10 C#CCOC1CNC1 AT20729 [0,0,0,1,0,0|2,0,1]=4 110 B8R1.10 C#CCOC1COC1 AT20724 [0,0,0,1,0,0|2,0,1]=4 111 B8R1.10 CNCCC1CCC1 P12905 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.10 CNCC[C@H]1CCN1 F50261 [0,0,0,1,0,0|3,0,0]=4 113 B8R1.10 COCC[C@H]1CCN1 F50258 [0,0,0,1,0,0|3,0,0]=4 114 B8R1.10 COCC[C@H]1CCN1 F50334 [0,0,0,1,0,0|3,0,0]=4 115 B8R1.10 FCCOC1CNC1 AT23437 [0,0,0,1,0,0|2,0,0]=3 116 B8R1.10 OCCOC1COC1 C93352 [0,0,0,1,0,0|1,0,0]=2 117 B8R1.11 C#C[C@H]1CCC[C@@H]1O AC6480 [0,0,0,1,0,0|1,0,2]=4 118 B8R1.11 CC1COCC1CCl 50130 [0,0,0,1,0,0|2,0,0]=3 119 B8R1.11 CC1COCC1CO 50120 [0,0,0,1,0,0|2,0,0]=3 120 B8R1.11 CO[C@H]1CCC[C@@H]1N AT13762 [0,0,0,1,0,0|3,0,0]=4 121 B8R1.11 CO[C@H]1CCC[C@@H]1O AT11485 [0,0,0,1,0,0|2,0,0]=3 122 B8R1.11 CO[C@H]1CCC[C@@H]1O AT11487 [0,0,0,1,0,0|2,0,0]=3 123 B8R1.11 CO[C@H]1CCC[C@@H]1O AT11488 [0,0,0,1,0,0|2,0,0]=3 124 B8R1.11 NC[C@@H]1COC[C@@H]1O P18479 [0,0,0,1,0,0|1,0,0]=2 125 B8R1.11 NC[C@H]1COC[C@@H]1O P18478 [0,0,0,1,0,0|1,0,0]=2 126 B8R1.11 N[C@H]1CCC[C@H]1CO AT21374 [0,0,0,1,0,0|2,0,0]=3 127 B8R1.11 OC[C@H]1CNC[C@@H]1O AT10999 [0,0,0,1,0,0|2,0,0]=3 128 B8R1.11 OC[C@H]1OCC[C@@H]1O E71898 [0,0,0,1,0,0|1,0,0]=2 129 B8R1.12 C#CC1CCC1CO 58315 [0,0,0,1,0,0|1,0,2]=4 130 B8R1.12 CO[C@H]1CC[C@@H]1CO D79583 [0,0,0,1,0,0|2,0,0]=3 131 B8R1.22 CN1COCCOC1 F12615 [0,0,0,1,0,0|3,0,0]=4 132 B8R1.22 C[C@H]1CCCCCN1 AT22104 [0,0,0,1,0,0|2,0,0]=3 133 B8R1.22 C[C@H]1CCNCCN1 AT20047 [0,0,0,1,0,0|2,0,0]=3 134 B8R1.22 C[C@H]1CCNCCN1 AT20048 [0,0,0,1,0,0|2,0,0]=3 135 B8R1.22 C[C@H]1CCNCCN1 AT20119 [0,0,0,1,0,0|2,0,0]=3 136 B8R1.22 C[C@H]1CNCCCN1 70846 [0,0,0,1,0,0|3,0,0]=4 137 B8R1.22 C[C@H]1CNCCCN1 AT20050 [0,0,0,1,0,0|3,0,0]=4 138 B8R1.22 C[C@H]1COCCCN1 AT11435 [0,0,0,1,0,0|2,0,0]=3 139 B8R1.22 FC1CNCCNC1 90916 [0,0,0,1,0,0|3,0,0]=4 140 B8R1.22 F[C@H]1CCCNCC1 72531 [0,0,0,1,0,0|3,0,0]=4 141 B8R1.22 I[C@H]1CCCOCC1 55131 [0,0,0,1,0,0|2,0,0]=3 142 B8R1.22 N[C@H]1CCCCNC1 F13105 [0,0,0,1,0,0|2,0,0]=3 143 B8R1.22 O[C@H]1CCCCNC1 73004 [0,0,0,1,0,0|1,0,0]=2 144 B8R1.22 O[C@H]1CCCOCC1 55130 [0,0,0,1,0,0|2,0,0]=3 145 B8R1.22 O[C@H]1CNCCOC1 F13213 [0,0,0,1,0,0|1,0,0]=2 146 B8R1.36 CCCCC[C@H]1CO1 T72538 [0,0,0,1,0,0|1,0,0]=2 147 B8R1.49 C1CNCCCNC1 C90170 [0,0,0,1,0,0|3,0,0]=4 148 B5R0.2 C#CCCOC AC9661 [2,0,0,0,0,0|0,0,2]=4 149 B5R0.2 CCCCNN AC6660 [2,0,0,0,0,0|2,0,0]=4 150 B5R0.2 CCCCNO AT14838 [2,0,0,0,0,0|1,0,0]=3 151 B5R0.2 CCCNOC AT24927 [2,0,0,0,0,0|1,0,0]=3 152 B5R0.2 CNCCSC D87904 [2,0,0,0,0,0|1,1,0]=4 153 B5R0.2 COCCNN AC7088 [2,0,0,0,0,0|2,0,0]=4 154 B5R0.2 CONCCO AT24903 [2,0,0,0,0,0|2,0,0]=4 155 B5R0.2 NCCCNO AT14843 [2,0,0,0,0,0|2,0,0]=4 156 B5R0.2 NNCCCO W10664 [2,0,0,0,0,0|2,0,0]=4 157 B5R0.2 NOCCCO P16653 [2,0,0,0,0,0|2,0,0]=4 158 B5R0.2 [2H]OCCCC D98922 [2,0,0,0,0,0|1,0,0]=3 159 B7R0.3 CC#CC[C@@H](O)CC T72024 [1,1,0,0,0,0|1,0,1]=4 160 B7R0.3 CC#CC[C@H](N)CO D75108 [1,1,0,0,0,0|0,0,2]=4 161 B7R0.3 CCCC[C@H](N)CO D75114 [1,1,0,0,0,0|0,0,0]=2 162 B7R0.3 CCCC[C@H](N)CO H10583 [1,1,0,0,0,0|0,0,0]=2 163 B7R0.3 CC[C@H](O)CCC#N F51112 [1,1,0,0,0,0|1,0,1]=4 164 B7R0.3 CNC(=O)OCCO AT13707 [1,1,0,0,0,0|1,0,1]=4 165 B7R0.3 C[C@@H](CCCO)NN D88053 [1,1,0,0,0,0|2,0,0]=4 166 B7R0.3 C\C=C\C[C@@H](C)CC T72110 [1,1,0,0,0,0|1,0,1]=4 167 B7R0.4 CC(C)CSCCN AT25570 [1,1,0,0,0,0|1,1,0]=4 168 B7R0.4 CC(C)OCCON AT14483 [1,1,0,0,0,0|2,0,0]=4 169 B7R0.4 CCCCCC(N)=S W19000 [1,1,0,0,0,0|0,1,1]=4 170 B7R0.4 CN(C)CCCCN V10255 [1,1,0,0,0,0|2,0,0]=4 171 B7R0.4 C[S@](=O)CCCCN 13216 [1,1,0,0,0,0|2,0,0]=4 172 B7R0.4 FC(F)COCCCl AT25481 [1,1,0,0,0,0|2,0,0]=4 173 B7R0.4 NCCOCC(F)F AT25482 [1,1,0,0,0,0|2,0,0]=4 174 B7R0.4 OCCCOC(F)F 89959 [1,1,0,0,0,0|2,0,0]=4 175 B7R0.4 OCCNCC(F)F AT25468 [1,1,0,0,0,0|2,0,0]=4 176 B7R0.7 CCC[C@H](N)CCO N15481 [1,1,0,0,0,0|0,0,0]=2 177 B7R0.7 CCC[C@H](N)CCO N15482 [1,1,0,0,0,0|0,0,0]=2 178 B7R0.7 CCOC(=O)CCN F19878 [1,1,0,0,0,0|1,0,1]=4 179 B9R0.4 CCCC[C@H](N)CC(=O)O N14199 [0,2,0,0,0,0|1,0,1]=4 180 B9R0.4 CCCC[C@H](N)CC(=O)O N14200 [0,2,0,0,0,0|1,0,1]=4 181 B9R0.18 CCCCC(C)CCCC T71863 [0,2,0,0,0,0|2,0,0]=4 182 B9R0.34 CCCC(C)CC(C)CC T70352 [0,2,0,0,0,0|2,0,0]=4 183 B9R0.2 CC(C)CCCCCCO D98911 [0,2,0,0,0,0|1,0,0]=3 184 B9R0.2 CNCCCCCC(=O)O AT21580 [0,2,0,0,0,0|1,0,1]=4 185 B9R0.45 C#CCOCCOCCBr AT20726 [0,2,0,0,0,0|1,0,1]=4 186 B9R0.45 C#CCOCCOCCCl AT20725 [0,2,0,0,0,0|1,0,1]=4 187 B9R0.45 C=CCCCCCCCC T73018 [0,2,0,0,0,0|2,0,0]=4 188 B9R0.45 CC#CCCCCCCC H11435 [0,2,0,0,0,0|2,0,0]=4 189 B9R0.45 C\C=C/CCCCCCC T70533 [0,2,0,0,0,0|2,0,0]=4 190 B9R0.45 NCCCCNCCCN T72522 [0,2,0,0,0,0|2,0,0]=4 191 B9R0.45 NCCOCCOCCO D84703 [0,2,0,0,0,0|0,0,0]=2 192 B9R0.45 NCCSCCSCCN AT25576 [0,2,0,0,0,0|1,1,0]=4 193 B9R0.45 OCCOCCOCCF A10821 [0,2,0,0,0,0|0,0,0]=2 194 B9R0.45 OCCOCCOCCS C70223 [0,2,0,0,0,0|0,0,0]=2 195 B9R0.46 CCCCCC[C@@H](C)CC T72672 [0,2,0,0,0,0|2,0,0]=4 196 B9R0.46 CCCCCC[C@H](O)CO C16570 [0,2,0,0,0,0|1,0,0]=3 197 B9R0.46 CC[C@H](C)CCCCCO T71591 [0,2,0,0,0,0|1,0,0]=3 198 B9R0.46 COC(=O)COCCCO 56926 [0,2,0,0,0,0|1,0,1]=4 199 B9R0.46 OCCCCC[C@H](O)CO T72391 [0,2,0,0,0,0|1,0,0]=3 200 B9R0.1 CC[C@H](C)CCCC(C)C T70540 [0,2,0,0,0,0|2,0,0]=4 201 B9R0.1 CC[C@H](C)OCCC(C)=O T71083 [0,2,0,0,0,0|1,0,1]=4 202 B9R0.47 CCCCOC(=O)C(O)O F17058 [0,2,0,0,0,0|0,0,1]=3 203 B9R0.47 CCCCOC(=O)[C@H](C)N F52316 [0,2,0,0,0,0|1,0,1]=4 204 B9R0.50 CCN(CCCCO)N=O T72602 [0,2,0,0,0,0|2,0,0]=4 205 B9R0.38 NS(=O)(=O)CCOCCO AT20631 [0,2,0,0,0,0|2,0,0]=4 206 B7R1.1 CCC1CCCC1 T71889 [1,0,0,1,0,0|1,0,0]=3 207 B7R1.1 CC[C@H]1CCCN1 N12693 [1,0,0,1,0,0|1,0,0]=3 208 B7R1.1 CN[C@H]1CCNC1 C14692 [1,0,0,1,0,0|2,0,0]=4 209 B7R1.1 CN[C@H]1CCOC1 P13110 [1,0,0,1,0,0|1,0,0]=3 210 B7R1.1 CN[C@H]1CCOC1 P13111 [1,0,0,1,0,0|1,0,0]=3 211 B7R1.1 CN[C@H]1CCSC1 D72867 [1,0,0,1,0,0|1,1,0]=4 212 B7R1.1 ClC[C@H]1CCCN1 87778 [1,0,0,1,0,0|2,0,0]=4 213 B7R1.1 ClC[C@H]1CCCN1 D76474 [1,0,0,1,0,0|2,0,0]=4 214 B7R1.1 ClC[C@H]1CCOC1 N12624 [1,0,0,1,0,0|1,0,0]=3 215 B7R1.1 FC[C@H]1CCCN1 AT24807 [1,0,0,1,0,0|2,0,0]=4 216 B7R1.1 FC[C@H]1CCCN1 P12668 [1,0,0,1,0,0|2,0,0]=4 217 B7R1.1 NC[C@H]1CCCN1 C16283 [1,0,0,1,0,0|2,0,0]=4 218 B7R1.1 NC[C@H]1CCCN1 FD10638 [1,0,0,1,0,0|2,0,0]=4 219 B7R1.1 NC[C@H]1CCCN1 S10708 [1,0,0,1,0,0|2,0,0]=4 220 B7R1.1 NC[C@H]1CCOC1 68889 [1,0,0,1,0,0|1,0,0]=3 221 B7R1.1 NN[C@H]1CCOC1 91992 [1,0,0,1,0,0|2,0,0]=4 222 B7R1.1 NN[C@H]1CCOC1 C93321 [1,0,0,1,0,0|2,0,0]=4 223 B7R1.1 NN[C@H]1CCOC1 F15303 [1,0,0,1,0,0|2,0,0]=4 224 B7R1.1 NOC1CCCC1 97656 [1,0,0,1,0,0|2,0,0]=4 225 B7R1.1 OC[C@H]1CCCN1 11147 [1,0,0,1,0,0|1,0,0]=3 226 B7R1.1 ONC1CCCC1 33366 [1,0,0,1,0,0|1,0,0]=3 227 B7R1.1 ONC1CCCC1 33756 [1,0,0,1,0,0|1,0,0]=3 228 B7R1.3 Br[C@H]1CCCNC1 C14028 [1,0,0,1,0,0|2,0,0]=4 229 B7R1.3 CC1=CCOCC1 F17726 [1,0,0,1,0,0|0,0,2]=4 230 B7R1.3 C[C@H]1CCCCN1 N14212 [1,0,0,1,0,0|1,0,0]=3 231 B7R1.3 C[C@H]1CCCNC1 F14484 [1,0,0,1,0,0|2,0,0]=4 232 B7R1.3 C[C@H]1CNCCS1 AT10751 [1,0,0,1,0,0|1,1,0]=4 233 B7R1.3 C[C@H]1CNCCS1 AT25278 [1,0,0,1,0,0|1,1,0]=4 234 B7R1.3 C[C@H]1CSCCN1 AT10756 [1,0,0,1,0,0|1,1,0]=4 235 B7R1.3 C[C@H]1CSCCN1 AT10759 [1,0,0,1,0,0|1,1,0]=4 236 B7R1.3 N[C@H]1CCCOC1 F31015 [1,0,0,1,0,0|1,0,0]=3 237 B7R1.3 N[C@H]1CCCOC1 P11042 [1,0,0,1,0,0|1,0,0]=3 238 B7R1.3 O=S1CCOCC1 A51207 [1,0,0,1,0,0|2,0,0]=4 239 B7R1.3 S=C1CCCCC1 N16924 [1,0,0,1,0,0|0,1,1]=4 240 B7R1.4 CC1CNCC1O 72148 [1,0,0,1,0,0|1,0,0]=3 241 B7R1.4 CC1CNCC1O AT22587 [1,0,0,1,0,0|1,0,0]=3 242 B7R1.4 C[C@@H]1CCC[C@@H]1N 97379 [1,0,0,1,0,0|1,0,0]=3 243 B7R1.4 C[C@@H]1CNC[C@@H]1N AT23641 [1,0,0,1,0,0|2,0,0]=4 244 B7R1.4 C[C@@H]1CNC[C@@H]1N F13020 [1,0,0,1,0,0|2,0,0]=4 245 B7R1.4 C[C@@H]1CNC[C@@H]1N F13021 [1,0,0,1,0,0|2,0,0]=4 246 B7R1.4 C[C@H]1COCC1=O AT13358 [1,0,0,1,0,0|0,0,2]=4 247 B7R1.4 NC1CCCC1N 77840 [1,0,0,1,0,0|2,0,0]=4 248 B7R1.4 NC1COCC1O F19779 [1,0,0,1,0,0|1,0,0]=3 249 B7R1.4 N[C@@H]1CCC[C@@H]1O P12481 [1,0,0,1,0,0|1,0,0]=3 250 B7R1.4 N[C@@H]1COC[C@@H]1O F53614 [1,0,0,1,0,0|1,0,0]=3 251 B7R1.4 N[C@@H]1COC[C@@H]1O P17902 [1,0,0,1,0,0|1,0,0]=3 252 B7R1.4 N[C@H]1COC[C@@H]1O P17884 [1,0,0,1,0,0|1,0,0]=3 253 B7R1.4 OC1COCC1Br AC8201 [1,0,0,1,0,0|1,0,0]=3 254 B7R1.4 O[C@H]1CCC[C@@H]1O W19719 [1,0,0,1,0,0|1,0,0]=3 255 B7R1.4 O[C@H]1CNC[C@@H]1F P15635 [1,0,0,1,0,0|2,0,0]=4 256 B7R1.4 O[C@H]1CNC[C@@H]1O AT22802 [1,0,0,1,0,0|2,0,0]=4 257 B7R1.5 C=CC[C@H]1C[C@@H]1O F50023 [1,0,0,1,0,0|0,0,2]=4 258 B7R1.6 CCNC1COC1 F51700 [1,0,0,1,0,0|2,0,0]=4 259 B7R1.6 ICCC1COC1 AC4775 [1,0,0,1,0,0|2,0,0]=4 260 B7R1.6 NCCN1CCC1 F30399 [1,0,0,1,0,0|2,0,0]=4 261 B7R1.6 NNCC1CCC1 D87549 [1,0,0,1,0,0|2,0,0]=4 262 B7R1.6 OCC[C@H]1CCN1 D76473 [1,0,0,1,0,0|1,0,0]=3 263 B7R1.6 OCC[C@H]1CCN1 F50335 [1,0,0,1,0,0|1,0,0]=3 264 B7R1.7 NCCOC1CC1 AT11523 [1,0,0,1,0,0|1,0,0]=3 265 B7R1.7 OCCNC1CC1 AT25786 [1,0,0,1,0,0|1,0,0]=3 266 B7R1.8 CN1CC[C@@H]1CN P13167 [1,0,0,1,0,0|2,0,0]=4 267 B7R1.8 CN1CC[C@@H]1CN P13169 [1,0,0,1,0,0|2,0,0]=4 268 B7R1.8 CN1CC[C@@H]1CN P15774 [1,0,0,1,0,0|2,0,0]=4 269 B7R1.8 CN1CC[C@@H]1CN P15856 [1,0,0,1,0,0|2,0,0]=4 270 B7R1.8 OC[C@H]1CC[C@@H]1O D79582 [1,0,0,1,0,0|1,0,0]=3 271 B7R1.9 NC[C@@H]1C[C@@H]1CO AT20747 [1,0,0,1,0,0|1,0,0]=3 272 B7R1.9 OC[C@H]1C[C@@H]1CO AT12391 [1,0,0,1,0,0|1,0,0]=3 273 B7R1.24 C1CCCNCC1 D77224 [1,0,0,1,0,0|1,0,0]=3 274 B7R1.24 C1CCNNCC1 AB9014 [1,0,0,1,0,0|2,0,0]=4 275 B7R1.24 C1CNCCSC1 W16417 [1,0,0,1,0,0|1,1,0]=4 276 B9R1.2 CC1CCCC(CO)N1 P11618 [0,1,0,1,0,0|1,0,0]=3 277 B9R1.2 CC1CNCC(CO)C1 P19048 [0,1,0,1,0,0|2,0,0]=4 278 B9R1.2 CC[C@H]1CC(=O)CCN1 S10989 [0,1,0,1,0,0|2,0,0]=4 279 B9R1.2 CC[C@H]1COC[C@H](C)N1 F18905 [0,1,0,1,0,0|1,0,0]=3 280 B9R1.2 CN[C@@H]1CCC[C@H](O)C1 H11103 [0,1,0,1,0,0|2,0,0]=4 281 B9R1.7 COCC1CC(O)CN1 AT22824 [0,1,0,1,0,0|2,0,0]=4 282 B9R1.7 COC[C@@H]1C[C@H](O)CN1 AT22827 [0,1,0,1,0,0|2,0,0]=4 283 B9R1.7 COC[C@H]1C[C@H](O)CN1 AT22810 [0,1,0,1,0,0|2,0,0]=4 284 B9R1.7 C[C@H]1CCN(CCO)C1 96739 [0,1,0,1,0,0|1,0,0]=3 285 B9R1.7 NCCN1CC[C@H](O)C1 AC8419 [0,1,0,1,0,0|2,0,0]=4 286 B9R1.7 O[C@H]1CCN(CCCl)C1 E70037 [0,1,0,1,0,0|2,0,0]=4 287 B9R1.8 C=CC[C@H]1CCCCN1 A51152 [0,1,0,1,0,0|2,0,0]=4 288 B9R1.8 CCCC1CCNCC1 C75224 [0,1,0,1,0,0|2,0,0]=4 289 B9R1.8 CCC[C@H]1CCCCN1 F16887 [0,1,0,1,0,0|2,0,0]=4 290 B9R1.8 CNCC1CCCCC1 P19116 [0,1,0,1,0,0|2,0,0]=4 291 B9R1.8 CNC[C@H]1CCCCO1 F16332 [0,1,0,1,0,0|1,0,0]=3 292 B9R1.8 COC[C@H]1CCCCN1 31181 [0,1,0,1,0,0|1,0,0]=3 293 B9R1.8 COC[C@H]1CCCCN1 Y11003 [0,1,0,1,0,0|1,0,0]=3 294 B9R1.8 COC[C@H]1CCCNC1 C78400 [0,1,0,1,0,0|2,0,0]=4 295 B9R1.8 N#CC[C@H]1CCCOC1 AT23687 [0,1,0,1,0,0|1,0,1]=4 296 B9R1.8 N#CC[C@H]1COCCO1 AT10085 [0,1,0,1,0,0|0,0,1]=3 297 B9R1.8 NCCC1CCNCC1 65278 [0,1,0,1,0,0|2,0,0]=4 298 B9R1.8 NCC[C@H]1CCCCN1 D76613 [0,1,0,1,0,0|2,0,0]=4 299 B9R1.8 NCC[C@H]1CCCCO1 SC1551 [0,1,0,1,0,0|1,0,0]=3 300 B9R1.8 NCC[C@H]1CCCNC1 D76642 [0,1,0,1,0,0|2,0,0]=4 301 B9R1.8 NCC[C@H]1CCCOC1 AT23688 [0,1,0,1,0,0|1,0,0]=3 302 B9R1.8 NCC[C@H]1CCCOC1 AT23689 [0,1,0,1,0,0|1,0,0]=3 303 B9R1.8 NCC[C@H]1COCCN1 A50776 [0,1,0,1,0,0|1,0,0]=3 304 B9R1.8 NCC[C@H]1COCCN1 C77968 [0,1,0,1,0,0|1,0,0]=3 305 B9R1.8 NNCC1CCCCC1 P11239 [0,1,0,1,0,0|2,0,0]=4 306 B9R1.8 OCCN1CCCCO1 72896 [0,1,0,1,0,0|0,0,0]=2 307 B9R1.8 OCC[C@H]1CCCOC1 AT23679 [0,1,0,1,0,0|1,0,0]=3 308 B9R1.8 OCC[C@H]1CNCCN1 27756 [0,1,0,1,0,0|2,0,0]=4 309 B9R1.8 OCC[C@H]1CNCCO1 A50782 [0,1,0,1,0,0|1,0,0]=3 310 B9R1.8 OCC[C@H]1COCCN1 A50775 [0,1,0,1,0,0|1,0,0]=3 311 B9R1.8 OCC[C@H]1COCCN1 C78196 [0,1,0,1,0,0|1,0,0]=3 312 B9R1.12 BrCCCN1CCCC1 D88134 [0,1,0,1,0,0|2,0,0]=4 313 B9R1.12 C#CCCC1OCCO1 AT14280 [0,1,0,1,0,0|0,0,1]=3 314 B9R1.12 C#CCO[C@H]1CCNC1 AT22521 [0,1,0,1,0,0|1,0,1]=4 315 B9R1.12 C=CCO[C@H]1CCNC1 AT22522 [0,1,0,1,0,0|1,0,1]=4 316 B9R1.12 C=CCO[C@H]1CCNC1 AT22523 [0,1,0,1,0,0|1,0,1]=4 317 B9R1.12 C=CCO[C@H]1CCNC1 AT22524 [0,1,0,1,0,0|1,0,1]=4 318 B9R1.12 CCCC[C@H]1CCCN1 N12661 [0,1,0,1,0,0|2,0,0]=4 319 B9R1.12 CNCCC1CCCC1 P11107 [0,1,0,1,0,0|2,0,0]=4 320 B9R1.12 CNCC[C@H]1CCCO1 F20641 [0,1,0,1,0,0|1,0,0]=3 321 B9R1.12 NCCCC1CCCC1 F20043 [0,1,0,1,0,0|2,0,0]=4 322 B9R1.12 NCCOC1CCCC1 AC3097 [0,1,0,1,0,0|1,0,0]=3 323 B9R1.12 OCCO[C@H]1CCNC1 AT22525 [0,1,0,1,0,0|0,0,0]=2 324 B9R1.15 CCC1CCCCC1C T72380 [0,1,0,1,0,0|2,0,0]=4 325 B9R1.15 CCC1CCCCC1O D90497 [0,1,0,1,0,0|1,0,0]=3 326 B9R1.15 CC[C@H]1CNCCC1=O O11002 [0,1,0,1,0,0|1,0,1]=4 327 B9R1.15 CN1CCOC[C@@H]1CN 27733 [0,1,0,1,0,0|2,0,0]=4 328 B9R1.15 CN1CCOC[C@@H]1CN 77625 [0,1,0,1,0,0|2,0,0]=4 329 B9R1.15 CN[C@H]1CNCC[C@H]1C 44571 [0,1,0,1,0,0|2,0,0]=4 330 B9R1.15 COC1CCCCC1N C77572 [0,1,0,1,0,0|2,0,0]=4 331 B9R1.15 COC1CNCCC1C 33459 [0,1,0,1,0,0|1,0,0]=3 332 B9R1.15 CO[C@H]1CCCC[C@@H]1N 89668 [0,1,0,1,0,0|2,0,0]=4 333 B9R1.15 CO[C@H]1CCCC[C@@H]1O A12017 [0,1,0,1,0,0|1,0,0]=3 334 B9R1.15 CO[C@H]1CCNC[C@@H]1O P16832 [0,1,0,1,0,0|1,0,0]=3 335 B9R1.15 CO[C@H]1CCOC[C@@H]1N AT13729 [0,1,0,1,0,0|1,0,0]=3 336 B9R1.15 CO[C@H]1COCC[C@@H]1N AT20176 [0,1,0,1,0,0|1,0,0]=3 337 B9R1.15 CO[C@H]1COCC[C@@H]1N P15681 [0,1,0,1,0,0|1,0,0]=3 338 B9R1.15 C[C@@H]1OCCN[C@H]1CO 77689 [0,1,0,1,0,0|1,0,0]=3 339 B9R1.15 NCC1CCCCC1O C77667 [0,1,0,1,0,0|1,0,0]=3 340 B9R1.15 NC[C@@H]1CCNC[C@@H]1O P16189 [0,1,0,1,0,0|1,0,0]=3 341 B9R1.15 N[C@H]1CCCC[C@@H]1CO C80022 [0,1,0,1,0,0|1,0,0]=3 342 B9R1.15 O=C1CCCC[C@@H]1CO F18113 [0,1,0,1,0,0|1,0,0]=3 343 B9R1.15 OCC1CCNCC1O 33470 [0,1,0,1,0,0|1,0,0]=3 344 B9R1.15 OCC1CNCCC1O 33707 [0,1,0,1,0,0|2,0,0]=4 345 B9R1.15 OC[C@@H]1CCNC[C@@H]1O P17708 [0,1,0,1,0,0|1,0,0]=3 346 B9R1.15 OC[C@H]1CCNC[C@@H]1O P12895 [0,1,0,1,0,0|1,0,0]=3 347 B9R1.22 CN1C[C@@H](O)C[C@@H]1CO AT22831 [0,1,0,1,0,0|2,0,0]=4 348 B9R1.22 CN1C[C@@H](O)C[C@H]1CO AT22828 [0,1,0,1,0,0|2,0,0]=4 349 B9R1.33 CN1CCC[C@@H]1CCN P11249 [0,1,0,1,0,0|2,0,0]=4 350 B9R1.33 CN1CCC[C@@H]1CCN P15959 [0,1,0,1,0,0|2,0,0]=4 351 B9R1.33 CN1CCC[C@@H]1CCN P17927 [0,1,0,1,0,0|2,0,0]=4 352 B9R1.48 CN1CCCC[C@H](N)C1 AT11195 [0,1,0,1,0,0|2,0,0]=4 353 B9R1.49 OC1CCC(O)CSC1 F51867 [0,1,0,1,0,0|0,1,0]=3 354 B9R1.58 CNC1CN(CCO)C1 F50626 [0,1,0,1,0,0|2,0,0]=4 355 B9R1.134 CC1(CCI)OCCO1 AC6319 [0,1,0,1,0,0|1,0,0]=3 356 B9R1.134 NC1(CCO)CCCC1 F51936 [0,1,0,1,0,0|1,0,0]=3 357 B9R1.5 C[C@H]1CCNCCN1C AC6586 [0,1,0,1,0,0|2,0,0]=4 358 B9R1.5 NC1COCOCC1O F51261 [0,1,0,1,0,0|1,0,0]=3 359 B9R1.5 NC1COCOCC1O F51262 [0,1,0,1,0,0|1,0,0]=3 360 B9R1.5 N[C@H]1CCCCC[C@@H]1O AT10930 [0,1,0,1,0,0|1,0,0]=3 361 B9R1.14 CO[C@H]1CNC[C@@H]1OC P14094 [0,1,0,1,0,0|2,0,0]=4 362 B9R1.14 CO[C@H]1CNC[C@@H]1OC P15733 [0,1,0,1,0,0|2,0,0]=4 363 B9R1.14 CO[C@H]1CNC[C@@H]1OC P18392 [0,1,0,1,0,0|2,0,0]=4 364 B9R1.14 OC[C@@H]1CNC[C@@H]1CO AT10998 [0,1,0,1,0,0|2,0,0]=4 365 B9R1.14 OC[C@H]1CNC[C@@H]1CO AT10997 [0,1,0,1,0,0|2,0,0]=4 366 B9R1.83 OCCCOC[C@H]1CO1 AT11748 [0,1,0,1,0,0|1,0,0]=3 367 B9R1.89 CN[C@H]1CCCCNC1 97599 [0,1,0,1,0,0|2,0,0]=4 368 B9R1.89 CN[C@H]1CCCCNC1 97600 [0,1,0,1,0,0|2,0,0]=4 369 B9R1.89 O=CC1CCCCCC1 AT13628 [0,1,0,1,0,0|1,0,1]=4 370 B9R1.89 OC[C@H]1CCCNCC1 73020 [0,1,0,1,0,0|1,0,0]=3 371 B9R1.103 C1CSCCSCCS1 T72788 [0,1,0,1,0,0|0,2,0]=4 372 B9R1.1 CC1CCC(CBr)CC1 72498 [0,1,0,1,0,0|2,0,0]=4 373 B9R1.1 CC1CCC(CCl)CC1 AC2846 [0,1,0,1,0,0|2,0,0]=4 374 B9R1.1 CC1COC(CO)CN1 AT20471 [0,1,0,1,0,0|1,0,0]=3 375 B9R1.1 CC[C@H]1CC[C@H](N)CC1 AT14260 [0,1,0,1,0,0|2,0,0]=4 376 B9R1.1 CC[C@H]1CNC(=O)CO1 90060 [0,1,0,1,0,0|1,0,1]=4 377 B9R1.1 C[C@H]1CCC(CO)CN1 93005 [0,1,0,1,0,0|2,0,0]=4 378 B9R1.1 C[C@H]1CN[C@@H](CO)CN1 AT10066 [0,1,0,1,0,0|2,0,0]=4 379 B9R1.1 C[C@H]1CN[C@@H](CO)CN1 AT10068 [0,1,0,1,0,0|2,0,0]=4 380 B9R1.1 NCC1CCC(F)CC1 66265 [0,1,0,1,0,0|2,0,0]=4 381 B9R1.1 NCC1CCC(O)CC1 C77951 [0,1,0,1,0,0|2,0,0]=4 382 B9R1.3 CC1CCCC(C)C1C T71900 [0,1,0,1,0,0|2,0,0]=4 383 B9R1.11 CC[C@H](N)C1CCCC1 N12792 [0,1,0,1,0,0|2,0,0]=4 384 B9R1.11 CC[C@H](N)C1CCCC1 N14676 [0,1,0,1,0,0|2,0,0]=4 385 B9R1.11 CC[C@H](N)C1CCCC1 N14677 [0,1,0,1,0,0|2,0,0]=4 386 B9R1.11 NC[C@H](O)C1CCCC1 W15961 [0,1,0,1,0,0|2,0,0]=4 387 B9R1.11 N[C@@H](CO)C1CCCC1 N11290 [0,1,0,1,0,0|1,0,0]=3 388 B9R1.11 N[C@@H](CO)C1CCCC1 N11334 [0,1,0,1,0,0|1,0,0]=3 389 B9R1.21 CO[C@@H]1CN[C@@H](CO)C1 AT22832 [0,1,0,1,0,0|2,0,0]=4 390 B9R1.118 CC1(CN)CCCCC1 71856 [0,1,0,1,0,0|2,0,0]=4 391 B9R1.118 CC1(CO)CCNCC1 53326 [0,1,0,1,0,0|2,0,0]=4 392 B9R1.118 C[C@]1(CO)CCCNC1 55565 [0,1,0,1,0,0|2,0,0]=4 393 B9R1.118 C[C@]1(CO)CCCNC1 55575 [0,1,0,1,0,0|2,0,0]=4 394 B9R1.118 FC1(CBr)CCCCC1 C93351 [0,1,0,1,0,0|2,0,0]=4 395 B9R1.118 NC1(CO)CCCCC1 AT12680 [0,1,0,1,0,0|1,0,0]=3 396 B9R1.118 NC1(CO)CCCCC1 AT12681 [0,1,0,1,0,0|1,0,0]=3 397 B9R1.118 NC1(CO)CCCCC1 D74962 [0,1,0,1,0,0|1,0,0]=3 398 B9R1.118 NC1(CO)CCNCC1 D75162 [0,1,0,1,0,0|2,0,0]=4 399 B9R1.118 NCC1(N)CCCCC1 D73325 [0,1,0,1,0,0|2,0,0]=4 400 B9R1.118 NCC1(O)CCCCC1 C78197 [0,1,0,1,0,0|2,0,0]=4 401 B9R1.118 OCC1(F)CCCCC1 26699 [0,1,0,1,0,0|1,0,0]=3 402 B9R1.118 OCC1(F)CCNCC1 P17075 [0,1,0,1,0,0|2,0,0]=4 403 B9R1.6 CC(=O)[C@H]1CCCOC1 AT13308 [0,1,0,1,0,0|1,0,1]=4 404 B9R1.6 CC(C)[C@@H]1CNCCN1 20127 [0,1,0,1,0,0|2,0,0]=4 405 B9R1.6 CC(C)[C@@H]1CNCCN1 20129 [0,1,0,1,0,0|2,0,0]=4 406 B9R1.6 CC(C)[C@@H]1CNCCN1 AT22713 [0,1,0,1,0,0|2,0,0]=4 407 B9R1.6 CC(C)[C@@H]1CNCCN1 W18944 [0,1,0,1,0,0|2,0,0]=4 408 B9R1.6 CC(C)[C@@H]1CNCCO1 D75743 [0,1,0,1,0,0|1,0,0]=3 409 B9R1.6 CC(C)[C@@H]1CNCCO1 D75749 [0,1,0,1,0,0|1,0,0]=3 410 B9R1.6 CC(C)[C@@H]1CNCCS1 AT25277 [0,1,0,1,0,0|1,1,0]=4 411 B9R1.6 CC(C)[C@@H]1COCCN1 A50783 [0,1,0,1,0,0|1,0,0]=3 412 B9R1.6 CC(C)[C@@H]1COCCN1 F13098 [0,1,0,1,0,0|1,0,0]=3 413 B9R1.6 CC(C)[C@@H]1COCCN1 F19078 [0,1,0,1,0,0|1,0,0]=3 414 B9R1.6 CC(C)[C@H]1CCCNC1 F53728 [0,1,0,1,0,0|2,0,0]=4 415 B9R1.6 C[C@H](Br)C1CCCCC1 O10008 [0,1,0,1,0,0|2,0,0]=4 416 B9R1.6 C[C@H](N)C1CCCCC1 79907 [0,1,0,1,0,0|2,0,0]=4 417 B9R1.6 C[C@H](N)C1CCCCC1 79908 [0,1,0,1,0,0|2,0,0]=4 418 B9R1.6 C[C@H](N)C1CCCCO1 79891 [0,1,0,1,0,0|1,0,0]=3 419 B9R1.6 C[C@H](N)C1CCCOC1 79879 [0,1,0,1,0,0|1,0,0]=3 420 B9R1.6 C[C@H](N)C1CCCOC1 79880 [0,1,0,1,0,0|1,0,0]=3 421 B9R1.6 C[C@H](N)C1CCCOC1 79881 [0,1,0,1,0,0|1,0,0]=3 422 B9R1.6 C[C@H](N)C1CCCOC1 79882 [0,1,0,1,0,0|1,0,0]=3 423 B9R1.6 C[C@H](O)C1CCCCC1 D77196 [0,1,0,1,0,0|1,0,0]=3 424 B9R1.6 C[C@H](O)[C@@H]1CNCCN1 91581 [0,1,0,1,0,0|2,0,0]=4 425 B9R1.6 C[C@H](O)[C@@H]1CNCCN1 91584 [0,1,0,1,0,0|2,0,0]=4 426 B9R1.6 O=C(O)[C@@H]1CCCCS1 90959 [0,1,0,1,0,0|0,1,1]=4 427 B9R1.13 C[C@H](N)CC1CCCC1 N12947 [0,1,0,1,0,0|2,0,0]=4 428 B9R1.13 C[C@H](O)CN1CCCC1 AT24864 [0,1,0,1,0,0|1,0,0]=3 429 B9R1.13 C[C@H](O)CN1CCCC1 AT24866 [0,1,0,1,0,0|1,0,0]=3 430 B9R1.13 OB(O)CC1CCCC1 A51283 [0,1,0,1,0,0|2,0,0]=4 431 B9R1.24 CC1(C)CCC[C@@H]1CN P16858 [0,1,0,1,0,0|2,0,0]=4 432 B9R1.40 CC1(N)CCNCC1O 92292 [0,1,0,1,0,0|1,0,0]=3 433 B9R1.41 CN(C)[C@H]1CCC[C@@H]1O D79451 [0,1,0,1,0,0|2,0,0]=4 434 B9R1.77 NCCO[C@H]1CC1(F)F AT11522 [0,1,0,1,0,0|2,0,0]=4 435 B9R1.77 NCCO[C@H]1CC1(F)F AT11525 [0,1,0,1,0,0|2,0,0]=4 436 B9R1.77 OCCO[C@H]1CC1(F)F AT11521 [0,1,0,1,0,0|1,0,0]=3 437 B9R1.85 O=C(O)COCC1CC1 12497 [0,1,0,1,0,0|0,0,1]=3 438 B9R1.96 CCC1CN[C@@H]1C(=O)O P15219 [0,1,0,1,0,0|1,0,1]=4 439 B9R1.148 CC1(C)CCCNCC1 AT20041 [0,1,0,1,0,0|2,0,0]=4 440 B9R1.148 C[C@]1(O)CCCNCC1 P12010 [0,1,0,1,0,0|2,0,0]=4 441 B9R1.148 C[C@]1(O)CNCCOC1 D84909 [0,1,0,1,0,0|1,0,0]=3 442 B9R2.49 C1CC2CCC1CN2 P11101 [0,0,0,2,0,0|2,0,0]=4 443 B9R2.50 C1CCC2NCC2C1 P11106 [0,0,0,2,0,0|2,0,0]=4 444 B9R2.56 OCC12CCNC1C2 91927 [0,0,0,2,0,0|2,0,0]=4 445 B9R2.56 OC[C@]12CNC[C@H]1C2 C90730 [0,0,0,2,0,0|2,0,0]=4 446 B9R2.65 OCC1C2CNCC12 D87850 [0,0,0,2,0,0|2,0,0]=4 447 B9R2.68 C1CC2CNCC1N2 F12443 [0,0,0,2,0,0|2,0,0]=4 448 B9R2.68 C1CN2CCC(C2)N1 F30915 [0,0,0,2,0,0|2,0,0]=4 449 B9R2.39 NC1CC2CCC1C2 F30523 [0,0,0,2,0,0|2,0,0]=4 450 B9R2.39 NC1CC2CCC1O2 P12536 [0,0,0,2,0,0|2,0,0]=4 451 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 AT24377 [0,0,0,2,0,0|2,0,0]=4 452 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 AT24388 [0,0,0,2,0,0|2,0,0]=4 453 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 AT24387 [0,0,0,2,0,0|2,0,0]=4 454 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1O2 F50034 [0,0,0,2,0,0|2,0,0]=4 455 B9R2.39 O[C@H]1C[C@@H]2C[C@H]1CN2 D79090 [0,0,0,2,0,0|2,0,0]=4 456 B9R2.39 O[C@H]1C[C@H]2C[C@@H]1CN2 D79089 [0,0,0,2,0,0|2,0,0]=4 457 B9R2.3 C1C[C@@H]2CNC[C@@H]2O1 AT25846 [0,0,0,2,0,0|1,0,0]=3 458 B9R2.3 C1NC[C@@H]2COC[C@H]12 P17791 [0,0,0,2,0,0|2,0,0]=4 459 B9R2.173 C1CCC2(C1)CCN2 P10692 [0,0,0,2,0,0|2,0,0]=4 460 B9R2.173 C1COC2(CNC2)O1 AT11240 [0,0,0,2,0,0|1,0,0]=3 461 B9R2.173 C1C[C@@]2(CCO2)CN1 32927 [0,0,0,2,0,0|2,0,0]=4 462 B9R2.173 C1C[C@@]2(CCO2)CN1 CS2754 [0,0,0,2,0,0|2,0,0]=4 463 B9R2.140 O[C@H]1CCC12CCC2 84851 [0,0,0,2,0,0|1,0,0]=3 464 B9R2.5 N[C@H]1CNCC12CC2 P11657 [0,0,0,2,0,0|2,0,0]=4 465 B9R2.5 O[C@H]1CCCC12CC2 92333 [0,0,0,2,0,0|1,0,0]=3 466 B9R2.36 NC1CCC1C2CC2 84014 [0,0,0,2,0,0|2,0,0]=4