0 B9R0.45 BrCCCCCCCCBr O10358 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.45 CCCCCCCCCI D91171 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.45 CCCCCCCCCO D70513 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.45 ClCCCCCCCCCl O10360 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.45 ICCCCCCCCI F19540 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.45 ICCOCCOCCI S10654 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.45 NCCCCCCCCN F21311 [0,0,0,0,0,0|2,0,0]=2 7 B9R0.45 NCCCCCCCCO H11908 [0,0,0,0,0,0|3,0,0]=3 8 B9R0.45 NCCCCNCCCN D95527 [0,0,0,0,0,0|3,0,0]=3 9 B9R0.45 NCCNCCNCCN 78344 [0,0,0,0,0,0|0,0,0]=0 10 B9R0.45 NCCOCCOCCN 12774 [0,0,0,0,0,0|2,0,0]=2 11 B9R0.45 NCCOCCOCCO H10924 [0,0,0,0,0,0|3,0,0]=3 12 B9R0.45 OCCCCCCCCBr 54574 [0,0,0,0,0,0|4,0,0]=4 13 B9R0.45 OCCCCCCCCCl AC2187 [0,0,0,0,0,0|4,0,0]=4 14 B9R0.45 OCCCCCCCCO O12036 [0,0,0,0,0,0|4,0,0]=4 15 B9R0.45 OCCNCCNCCO AC8257 [0,0,0,0,0,0|2,0,0]=2 16 B9R0.45 OCCOCCOCCCl H11263 [0,0,0,0,0,0|4,0,0]=4 17 B9R0.45 OCCSCCSCCO D95286 [0,0,0,0,0,0|4,0,0]=4 18 B9R0.45 SCCCCCCCCS D91866 [0,0,0,0,0,0|4,0,0]=4 19 B9R0.45 SCCOCCOCCS AT13664 [0,0,0,0,0,0|4,0,0]=4 20 B8R0.4 BrCCCCCCCBr H11758 [1,0,0,0,0,0|3,0,0]=4 21 B8R0.4 CCCCCCCCCl D97411 [1,0,0,0,0,0|3,0,0]=4 22 B8R0.4 CCCCCCCCI W18672 [1,0,0,0,0,0|3,0,0]=4 23 B8R0.4 CCCCCCCCN D91873 [1,0,0,0,0,0|2,0,0]=3 24 B8R0.4 CCCCCCCCN D91878 [1,0,0,0,0,0|2,0,0]=3 25 B8R0.4 CCOCCOCCBr D97193 [1,0,0,0,0,0|3,0,0]=4 26 B8R0.4 CCOCCOCCO D72502 [1,0,0,0,0,0|3,0,0]=4 27 B8R0.4 NCCCCCCCN O11823 [1,0,0,0,0,0|1,0,0]=2 28 B8R0.4 NCCCOCCCN T70571 [1,0,0,0,0,0|2,0,0]=3 29 B8R0.4 OCCCCCCCBr 34162 [1,0,0,0,0,0|3,0,0]=4 30 B8R0.4 OCCCCCCCCl D97219 [1,0,0,0,0,0|3,0,0]=4 31 B8R0.4 OCCCCCCCO H10510 [1,0,0,0,0,0|3,0,0]=4 32 B10R0.71 CCCCCCCCCCN C93407 [0,1,0,0,0,0|3,0,0]=4 33 B10R0.71 COCCOCCOCCN 36136 [0,1,0,0,0,0|3,0,0]=4 34 B10R0.71 NCCCCCCCCCN F16023 [0,1,0,0,0,0|2,0,0]=3 35 B10R0.71 NCCNCCCNCCN D81996 [0,1,0,0,0,0|0,0,0]=1 36 B10R1.4 NCCN1CCCCC1=O D93343 [0,0,0,1,0,0|2,0,1]=4 37 B10R1.5 C=CCN1CCC[C@@H]1CN D82367 [0,0,0,1,0,0|2,0,1]=4 38 B10R1.17 NCCCC1CCCCC1 N10393 [0,0,0,1,0,0|3,0,0]=4 39 B10R1.17 NCCOC1CCCCC1 31463 [0,0,0,1,0,0|3,0,0]=4 40 B10R1.17 OCCNC1CCCCC1 D95373 [0,0,0,1,0,0|3,0,0]=4 41 B10R1.85 ClCCN1CCCCCC1 I11502 [0,0,0,1,0,0|3,0,0]=4 42 B10R1.85 OCCN1CCCCCC1 C10805 [0,0,0,1,0,0|3,0,0]=4 43 B10R1.85 OCCN1CCCNCC1 30104 [0,0,0,1,0,0|2,0,0]=3 44 B7R0.1 BrCCCCCCBr D77996 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.1 CCCCCCCBr D78084 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.1 CCCCCCCI D70828 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.1 CCCCCCCS D90781 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.1 CCCCOCCCl D89363 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.1 COCCOCCN F19842 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.1 ClCCCCCCBr AC1307 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.1 ClCCCCCCI O10399 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.1 ICCCCCCI D78160 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.1 N#CCCCCCN D92992 [2,0,0,0,0,0|0,0,2]=4 54 B7R0.1 NCCCCCCN H11757 [2,0,0,0,0,0|0,0,0]=2 55 B7R0.1 NCCCCCCO 74060 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.1 NCCCNCCBr 37146 [2,0,0,0,0,0|1,0,0]=3 57 B7R0.1 NCCCNCCO 37148 [2,0,0,0,0,0|1,0,0]=3 58 B7R0.1 NCCNCCCO H11394 [2,0,0,0,0,0|1,0,0]=3 59 B7R0.1 NCCSSCCN 28637 [2,0,0,0,0,0|2,0,0]=4 60 B7R0.1 NCC[Se][Se]CCN H10234 [2,0,0,0,0,0|2,0,0]=4 61 B7R0.1 OCCCCCCBr 34408 [2,0,0,0,0,0|2,0,0]=4 62 B7R0.1 OCCCCCCCl D70146 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.1 OCCCCCCS N11988 [2,0,0,0,0,0|2,0,0]=4 64 B7R0.1 SCCCCCCS D90840 [2,0,0,0,0,0|2,0,0]=4 65 B9R0.2 CC(=O)NCCCCCN F14796 [1,1,0,0,0,0|1,0,1]=4 66 B9R0.2 CC(C)NCCCCCO H11897 [1,1,0,0,0,0|2,0,0]=4 67 B11R0.3 CCCCCCCCNCCN 20292 [0,2,0,0,0,0|2,0,0]=4 68 B11R0.3 NCCCCCCCCCCN D78157 [0,2,0,0,0,0|2,0,0]=4 69 B11R0.3 NCCCOCCOCCCN AT11147 [0,2,0,0,0,0|2,0,0]=4 70 B9R1.8 BrCCN1CCOCC1 RB3348 [1,0,0,1,0,0|2,0,0]=4 71 B9R1.8 C#CCN1CCNCC1 A10418 [1,0,0,1,0,0|1,0,1]=4 72 B9R1.8 CCCN1CCNCC1 22995 [1,0,0,1,0,0|1,0,0]=3 73 B9R1.8 CCC[C@H]1CCCCN1 Y10685 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.8 CCO[C@H]1CCCNC1 75813 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.8 ClCCN1CCOCC1 35035 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.8 ClCCN1CCOCC1 P16570 [1,0,0,1,0,0|2,0,0]=4 77 B9R1.8 N#CC[C@H]1CNCCN1 P20054 [1,0,0,1,0,0|0,0,2]=4 78 B9R1.8 NCCC1=CCCCC1 D87820 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.8 NCCC1CCOCC1 51287 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.8 NCCN1CCCCC1 65590 [1,0,0,1,0,0|1,0,0]=3 81 B9R1.8 NCCN1CCCCC1 P10019 [1,0,0,1,0,0|1,0,0]=3 82 B9R1.8 NCCN1CCOCC1 F13469 [1,0,0,1,0,0|1,0,0]=3 83 B9R1.8 OCCC1CCNCC1 F11198 [1,0,0,1,0,0|2,0,0]=4 84 B9R1.8 OCCC1CCNCC1 S11476 [1,0,0,1,0,0|2,0,0]=4 85 B9R1.8 OCCN1CCCCC1 D70541 [1,0,0,1,0,0|2,0,0]=4 86 B9R1.8 OCCN1CCNCC1 P16516 [1,0,0,1,0,0|1,0,0]=3 87 B9R1.8 OCCN1CCOCC1 D77715 [1,0,0,1,0,0|2,0,0]=4 88 B9R1.8 OCC[C@H]1CCCCN1 36636 [1,0,0,1,0,0|2,0,0]=4 89 B9R1.8 OCC[C@H]1CCCCN1 62346 [1,0,0,1,0,0|2,0,0]=4 90 B9R1.8 OCC[C@H]1CCCCN1 P10605 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.8 OCC[C@H]1CCCNC1 65598 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.8 OCC[C@H]1CNCCN1 53864 [1,0,0,1,0,0|1,0,0]=3 93 B9R1.12 CCCC[C@H]1CCCN1 D83453 [1,0,0,1,0,0|2,0,0]=4 94 B9R1.12 NCCCC1CCCC1 P17748 [1,0,0,1,0,0|2,0,0]=4 95 B9R1.12 NCCOC1CCCC1 31471 [1,0,0,1,0,0|2,0,0]=4 96 B9R1.14 CCN1CCC[C@@H]1CN 23003 [1,0,0,1,0,0|1,0,0]=3 97 B9R1.14 CCN1CCC[C@@H]1CN 51604 [1,0,0,1,0,0|1,0,0]=3 98 B9R1.14 CCN1CCC[C@@H]1CN 51605 [1,0,0,1,0,0|1,0,0]=3 99 B9R1.14 CCN1CCC[C@@H]1CN P10007 [1,0,0,1,0,0|1,0,0]=3 100 B9R1.14 CCN1CCC[C@@H]1CN P10140 [1,0,0,1,0,0|1,0,0]=3 101 B9R1.15 OC[C@@H]1CCNC[C@@H]1O P10848 [1,0,0,1,0,0|2,0,0]=4 102 B9R1.15 OC[C@H]1CCNC[C@@H]1O P18545 [1,0,0,1,0,0|2,0,0]=4 103 B9R1.33 NCCN1CCCC1=O 60045 [1,0,0,1,0,0|1,0,1]=4 104 B9R1.33 NCCN1CCNC1=O H10573 [1,0,0,1,0,0|1,0,1]=4 105 B9R1.50 NC1CCCCCCC1 D89372 [1,0,0,1,0,0|2,0,0]=4 106 B9R1.89 CCN1CCCNCC1 72395 [1,0,0,1,0,0|1,0,0]=3 107 B9R1.103 C1CNCCNCCN1 F19546 [1,0,0,1,0,0|0,0,0]=2 108 B11R1.28 NCCCNC1CCCCC1 D84281 [0,1,0,1,0,0|2,0,0]=4 109 B11R2.20 C1CCN2CCNC[C@@H]2C1 24788 [0,0,0,2,0,0|2,0,0]=4 110 B11R2.238 C1CNC[C@@H](NC2CC2)C1 D82317 [0,0,0,2,0,0|2,0,0]=4