0 B9R0.45 CCCCCCCCCI DY795411 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.45 ClCCCCCCCCCl NO20556 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.45 FCCCCCCCCF DY822303 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.45 NCCCCNCCCN DY549279 [0,0,0,0,0,0|3,0,0]=3 4 B9R0.45 NCCNCCNCCO DY822769 [0,0,0,0,0,0|1,0,0]=1 5 B9R0.45 OCCCCCCCCBr NO14609 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.45 OCCCCCCCCCl DY543033 [0,0,0,0,0,0|4,0,0]=4 7 B9R0.45 OCCCCCCCCF DY822295 [0,0,0,0,0,0|4,0,0]=4 8 B9R0.45 OCCCCCCCCO NO20567 [0,0,0,0,0,0|4,0,0]=4 9 B9R0.45 OCCOCCOCCO NO20932 [0,0,0,0,0,0|4,0,0]=4 10 B8R0.4 CCCCCCCCN DY506682 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.4 CCCCCCCCS DY741379 [1,0,0,0,0,0|3,0,0]=4 12 B8R0.4 FCCCCCCCF DY822302 [1,0,0,0,0,0|3,0,0]=4 13 B8R0.4 OCCCCCCCBr NO13415 [1,0,0,0,0,0|3,0,0]=4 14 B8R0.4 OCCCCCCCF DY822294 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.4 CCCN1CCNCC1C DY733939 [0,0,0,1,0,0|2,0,0]=3 16 B10R1.17 CCCC[C@H]1CNCCN1 DY585237 [0,0,0,1,0,0|2,0,0]=3 17 B10R1.17 NCCCC1CCCNC1 DY637160 [0,0,0,1,0,0|2,0,0]=3 18 B10R1.17 OCCCC1CCCCN1 DY602693 [0,0,0,1,0,0|3,0,0]=4 19 B10R1.29 CCCNC1CCCC1O DY509354 [0,0,0,1,0,0|3,0,0]=4 20 B10R1.85 C#CCN1CCCNCC1 DY585894 [0,0,0,1,0,0|2,0,1]=4 21 B10R1.85 N#CCN1CCCNCC1 DY743683 [0,0,0,1,0,0|1,0,2]=4 22 B7R0.1 BrCCCCCCBr NO20550 [2,0,0,0,0,0|2,0,0]=4 23 B7R0.1 CCCOCCCN DY740653 [2,0,0,0,0,0|2,0,0]=4 24 B7R0.1 ClCCCCCCI DY550149 [2,0,0,0,0,0|2,0,0]=4 25 B7R0.1 FCCCCCCF DY822301 [2,0,0,0,0,0|2,0,0]=4 26 B7R0.1 NCCCCCCN DY740617 [2,0,0,0,0,0|0,0,0]=2 27 B7R0.1 NCCCNCCBr NO13982 [2,0,0,0,0,0|1,0,0]=3 28 B7R0.1 NCCSSCCN DY557499 [2,0,0,0,0,0|2,0,0]=4 29 B7R0.1 NCCSSCCN NO11190 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.1 NCC[Se][Se]CCN DY435603 [2,0,0,0,0,0|2,0,0]=4 31 B7R0.1 OCCCCCCBr NO14335 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.1 OCCCCCCF DY822293 [2,0,0,0,0,0|2,0,0]=4 33 B7R0.1 SCCCCCCS DY741367 [2,0,0,0,0,0|2,0,0]=4 34 B9R0.2 CC(=O)NCCOCCN DY790167 [1,1,0,0,0,0|1,0,1]=4 35 B11R0.159 CCCCCCNCC(C)(C)N DY580293 [0,2,0,0,0,0|2,0,0]=4 36 B9R1.5 N[C@@H]1CCCNC[C@H]1O DY743389 [1,0,0,1,0,0|1,0,0]=3 37 B9R1.8 BrCCN1CCCCC1 NO16757 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.8 BrCCN1CCOCC1 NO16378 [1,0,0,1,0,0|2,0,0]=4 39 B9R1.8 BrCCN1CCOCC1 NO20883 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.8 CCNC1CCCCC1 NO11778 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.8 CCNC1CCCNC1 DY774573 [1,0,0,1,0,0|1,0,0]=3 42 B9R1.8 CCN[C@@H]1CCCNC1 DY631916 [1,0,0,1,0,0|1,0,0]=3 43 B9R1.8 ClCCN1CCCCC1 NO19629 [1,0,0,1,0,0|2,0,0]=4 44 B9R1.8 ClCCN1CCOCC1 NO19905 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.8 FCCC1CCCNC1 DY636868 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.8 FCCN1CCNCC1 NO17106 [1,0,0,1,0,0|1,0,0]=3 47 B9R1.8 ICCN1CCOCC1 DY731917 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.8 N#CCN1CCNCC1 DY733915 [1,0,0,1,0,0|0,0,2]=4 49 B9R1.8 NCCC1CCCCC1 NO18358 [1,0,0,1,0,0|2,0,0]=4 50 B9R1.8 NCCC1CCCCO1 DY553407 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.8 NCCC1CCCOC1 DY606573 [1,0,0,1,0,0|2,0,0]=4 52 B9R1.8 NCCC1CCOCC1 DY20509 [1,0,0,1,0,0|2,0,0]=4 53 B9R1.8 NCCC1CCOCC1 DY552609 [1,0,0,1,0,0|2,0,0]=4 54 B9R1.8 NCCN1CCCCC1 NO16099 [1,0,0,1,0,0|1,0,0]=3 55 B9R1.8 NCCN1CCNCC1 NO11705 [1,0,0,1,0,0|0,0,0]=2 56 B9R1.8 NCCN1CCOCC1 DY731839 [1,0,0,1,0,0|1,0,0]=3 57 B9R1.8 OCCC1CCCCN1 NO13732 [1,0,0,1,0,0|2,0,0]=4 58 B9R1.8 OCCC1CCCCN1 NO17564 [1,0,0,1,0,0|2,0,0]=4 59 B9R1.8 OCCN1CCNCC1 NO13442 [1,0,0,1,0,0|1,0,0]=3 60 B9R1.8 OCCN1CCOCC1 NO11708 [1,0,0,1,0,0|2,0,0]=4 61 B9R1.8 OCCN1CCSCC1 NO18622 [1,0,0,1,0,0|2,0,0]=4 62 B9R1.8 OCC[C@@H]1CCCCN1 DY571947 [1,0,0,1,0,0|2,0,0]=4 63 B9R1.8 OCC[C@@H]1CNCCN1 NO16449 [1,0,0,1,0,0|1,0,0]=3 64 B9R1.8 OCC[C@H]1CCCNC1 DY586608 [1,0,0,1,0,0|2,0,0]=4 65 B9R1.8 OCC[C@H]1CNCCN1 DY586497 [1,0,0,1,0,0|1,0,0]=3 66 B9R1.8 OCC[C@H]1CNCCN1 NO16450 [1,0,0,1,0,0|1,0,0]=3 67 B9R1.8 OCC[C@H]1COCCN1 DY624241 [1,0,0,1,0,0|2,0,0]=4 68 B9R1.12 CCCOC1CCNC1 DY585375 [1,0,0,1,0,0|2,0,0]=4 69 B9R1.12 CCNCC1CCCN1 DY717255 [1,0,0,1,0,0|1,0,0]=3 70 B9R1.12 NCCCC1CCCC1 DY562863 [1,0,0,1,0,0|2,0,0]=4 71 B9R1.12 NCCOC1CCCC1 DY585784 [1,0,0,1,0,0|2,0,0]=4 72 B9R1.14 CCN1CCCC1CN NO10140 [1,0,0,1,0,0|1,0,0]=3 73 B9R1.14 CCN1CCC[C@@H]1CN DY621338 [1,0,0,1,0,0|1,0,0]=3 74 B9R1.15 NC[C@H]1CCNC[C@H]1O DY105550 [1,0,0,1,0,0|1,0,0]=3 75 B9R1.15 OC[C@H]1CCNC[C@H]1F DY121266 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.15 OC[C@H]1CCNC[C@H]1F DY643598 [1,0,0,1,0,0|2,0,0]=4 77 B9R1.33 CCNC1COCC1O DY759554 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.89 CCN1CCCNCC1 DY584487 [1,0,0,1,0,0|1,0,0]=3 79 B9R1.103 C1CNCCNCCN1 DY20930 [1,0,0,1,0,0|0,0,0]=2 80 B11R1.24 CN1CCCC(NCCO)C1 DY634614 [0,1,0,1,0,0|2,0,0]=4 81 B11R1.127 CCCN1CCC(CCN)C1 DY665969 [0,1,0,1,0,0|2,0,0]=4 82 B11R1.180 CN1CCCC1COCCN DY665927 [0,1,0,1,0,0|2,0,0]=4 83 B11R1.180 CN1CCC[C@H]1CNCCO DY623982 [0,1,0,1,0,0|2,0,0]=4 84 B11R1.5 NCCN1CCCCCC1=O DY743161 [0,1,0,1,0,0|2,0,0]=4 85 B11R1.17 CC1CNCCN1CCC#N DY733951 [0,1,0,1,0,0|1,0,1]=4 86 B11R1.17 COCCN1CCNCC1C DY586393 [0,1,0,1,0,0|2,0,0]=4 87 B11R1.17 NCCNC1NCCNC1Cl DY533007 [0,1,0,1,0,0|0,0,0]=2 88 B11R1.28 NCCCNC1CCCCC1 DY549057 [0,1,0,1,0,0|2,0,0]=4 89 B11R1.203 CCCCN1CCCNCC1 DY685127 [0,1,0,1,0,0|2,0,0]=4 90 B11R2.10 OC1CC2CNCCN2C1 DY583101 [0,0,0,2,0,0|2,0,0]=4 91 B11R2.10 O[C@@H]1C[C@H]2CNCCN2C1 DY576963 [0,0,0,2,0,0|2,0,0]=4 92 B11R2.20 C1CN2CCOC[C@H]2CN1 DY425864 [0,0,0,2,0,0|2,0,0]=4 93 B11R2.20 C1COC2OCCNC2N1 DY517455 [0,0,0,2,0,0|2,0,0]=4 94 B11R2.20 [C@@H]12CCCN[C@@H]1CCCN2 DY104960 [0,0,0,2,0,0|2,0,0]=4 95 B11R2.106 N[C@@H]1CCCN2CCC[C@@H]12 DY608188 [0,0,0,2,0,0|2,0,0]=4 96 B11R2.106 N[C@@H]1CCCN2CCC[C@H]12 DY586098 [0,0,0,2,0,0|2,0,0]=4 97 B11R2.1261 C1CCC2(C1)CNCCN2 DY524427 [0,0,0,2,0,0|2,0,0]=4 98 B11R2.1261 C1CCC2(C1)CNCCN2 DY532149 [0,0,0,2,0,0|2,0,0]=4