0 B10R0.1 CCCCCCC(O)CCO DY741139 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.1 CCOC(=O)CCCCCBr DY544671 [0,0,0,0,0,0|3,0,0]=3 2 B9R0.5 CCCCCC(=O)OCC DY822461 [1,0,0,0,0,0|1,0,0]=2 3 B9R0.5 CCCCNC(=O)CCN DY741211 [1,0,0,0,0,0|2,0,0]=3 4 B9R0.5 CCNCCC(=O)OCC DY703477 [1,0,0,0,0,0|2,0,0]=3 5 B9R0.5 CCOC(=O)CCCCBr NO13726 [1,0,0,0,0,0|2,0,0]=3 6 B9R0.5 CCOC(=O)CCCCN NO14354 [1,0,0,0,0,0|2,0,0]=3 7 B9R0.45 CCCCCCCCCI DY795411 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.45 CCCCCCCCNC NO15827 [1,0,0,0,0,0|2,0,1]=4 9 B9R0.46 COC(=O)CCCCCBr DY523155 [1,0,0,0,0,0|3,0,0]=4 10 B9R0.46 COC(=O)CCCCCN NO11662 [1,0,0,0,0,0|3,0,0]=4 11 B9R0.46 COCCCNC(=O)CN DY741265 [1,0,0,0,0,0|3,0,0]=4 12 B11R0.4 CCCCCCCC(=O)OCC NO14101 [0,1,0,0,0,0|2,0,0]=3 13 B11R0.4 CCOC(=O)CCCCCCN NO14103 [0,1,0,0,0,0|2,0,0]=3 14 B11R0.5 CCCCC(N)CC(=O)OCC DY610558 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.16 CCCC(=O)C1CCNCC1 DY604291 [0,0,0,1,0,0|2,0,0]=3 16 B11R1.16 CCOC(=O)C1CCCCN1 NO20536 [0,0,0,1,0,0|3,0,0]=4 17 B11R1.16 CCOC(=O)C1CCNCC1 NO20538 [0,0,0,1,0,0|3,0,0]=4 18 B11R1.16 CCOC(=O)N1CCNCC1 NO19631 [0,0,0,1,0,0|3,0,0]=4 19 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 DY625831 [0,0,0,1,0,0|3,0,0]=4 20 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 NO11745 [0,0,0,1,0,0|3,0,0]=4 21 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 NO14862 [0,0,0,1,0,0|3,0,0]=4 22 B11R1.16 CCOC(=O)[C@H]1CCCNC1 NO14866 [0,0,0,1,0,0|3,0,0]=4 23 B11R1.16 CCOC(=O)[C@H]1CCCNC1 NO16095 [0,0,0,1,0,0|3,0,0]=4 24 B11R1.16 N#CCC(=O)C1CCCCC1 DY446969 [0,0,0,1,0,0|2,0,1]=4 25 B11R1.16 NCCC(=O)N1CCNCC1 DY733645 [0,0,0,1,0,0|3,0,0]=4 26 B11R1.30 CCOC(=O)CC1CCCO1 DY20752 [0,0,0,1,0,0|3,0,0]=4 27 B11R1.180 CCCCCN1CCCC1=O DY584574 [0,0,0,1,0,0|1,0,0]=2 28 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1O DY543039 [0,0,0,1,0,0|3,0,0]=4 29 B11R1.199 CCOC(=O)[C@@H]1CCC[C@H]1N DY620112 [0,0,0,1,0,0|3,0,0]=4 30 B11R1.199 CCOC(=O)[C@@H]1CNC[C@H]1C DY700999 [0,0,0,1,0,0|3,0,0]=4 31 B11R1.289 CCOC(=O)\C=C\C1CCC1 DY608332 [0,0,0,1,0,0|2,0,1]=4 32 B8R0.1 C#CCCC(=O)CCC DY822712 [2,0,0,0,0,0|0,0,2]=4 33 B8R0.1 CCOC(=O)CCCCl DY822383 [2,0,0,0,0,0|2,0,0]=4 34 B8R0.1 CCOC(=O)CCCO DY111642 [2,0,0,0,0,0|2,0,0]=4 35 B8R0.1 CCOCC(=O)OCC DY461136 [2,0,0,0,0,0|2,0,0]=4 36 B8R0.4 CCCCCCCCN DY506682 [2,0,0,0,0,0|1,0,1]=4 37 B8R0.4 CCCCCCCCS DY741379 [2,0,0,0,0,0|1,0,1]=4 38 B8R0.4 CCCCNCCCC NO11229 [2,0,0,0,0,0|1,0,1]=4 39 B8R0.6 CCCCNC(=O)CCl NO11766 [2,0,0,0,0,0|2,0,0]=4 40 B8R0.7 CCCCCCC(=O)O DY822462 [2,0,0,0,0,0|2,0,0]=4 41 B8R0.7 CCOCCOC(=O)Cl DY797049 [2,0,0,0,0,0|2,0,0]=4 42 B10R0.2 CCOC(=O)CC(O)CCN DY788463 [1,1,0,0,0,0|2,0,0]=4 43 B10R0.3 CCCC(=O)SCCN(C)C DY584383 [1,1,0,0,0,0|1,1,0]=4 44 B10R0.3 CCOC(=O)CCNC(C)C DY461304 [1,1,0,0,0,0|2,0,0]=4 45 B10R0.19 CCCCC(=O)C(=O)OCC NO11379 [1,1,0,0,0,0|1,0,1]=4 46 B10R0.19 CCOC(=O)C(N)CCSC DY437954 [1,1,0,0,0,0|2,0,0]=4 47 B10R0.91 CCCCCC(=O)OCCC DY564117 [1,1,0,0,0,0|0,0,0]=2 48 B10R0.108 CCCC(=O)OCC(O)CO DY822776 [1,1,0,0,0,0|1,0,0]=3 49 B10R0.4 CCCCCCCCC(C)C NO21688 [1,1,0,0,0,0|1,0,1]=4 50 B10R0.71 CCCCCCCCCCBr DY822469 [1,1,0,0,0,0|1,0,1]=4 51 B10R0.71 ClCCCCOCCCCCl DY21038 [1,1,0,0,0,0|1,0,1]=4 52 B10R0.75 C=C(C)C(=O)OCCOCC DY822660 [1,1,0,0,0,0|1,0,1]=4 53 B12R0.4 CCCCCCCC(=O)CC(C)C DY536889 [0,2,0,0,0,0|1,0,0]=3 54 B12R0.1 CCOC(=O)CCCCCCCBr NO14864 [0,2,0,0,0,0|2,0,0]=4 55 B12R0.434 CCCS(=O)(=O)CCCCCCN DY112044 [0,2,0,0,0,0|2,0,0]=4 56 B10R1.11 CCOC(=O)C1CCNC1 NO13485 [1,0,0,1,0,0|2,0,0]=4 57 B10R1.11 CCOC(=O)[C@@H]1CCNC1 DY533325 [1,0,0,1,0,0|2,0,0]=4 58 B10R1.11 CCOC(=O)[C@@H]1CCNC1 DY628887 [1,0,0,1,0,0|2,0,0]=4 59 B10R1.19 CNC1CCCCNC1=O DY685481 [1,0,0,1,0,0|2,0,0]=4 60 B10R1.25 CCC1CNC(=O)CC1O DY639106 [1,0,0,1,0,0|2,0,0]=4 61 B10R1.29 CCCCN1CCCC1=O DY550161 [1,0,0,1,0,0|1,0,0]=3 62 B10R1.130 CCO[C@H]1OC(=O)C[C@@H]1N DY621266 [1,0,0,1,0,0|2,0,0]=4 63 B10R1.135 CCOC(=O)C1CC1CBr DY116546 [1,0,0,1,0,0|2,0,0]=4 64 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CC DY586270 [1,0,0,1,0,0|1,0,0]=3 65 B10R1.137 CCOC(=O)CC1CSC1 DY529545 [1,0,0,1,0,0|2,0,0]=4 66 B10R1.138 CCOC(=O)CNC1CC1 DY703555 [1,0,0,1,0,0|2,0,0]=4 67 B10R1.186 CCCCOC(=O)C1CN1 DY743875 [1,0,0,1,0,0|1,0,0]=3 68 B10R1.245 CC1CCNC(=O)C1CN DY637076 [1,0,0,1,0,0|2,0,0]=4 69 B10R1.406 CC1CC(=O)N1CCCO DY719800 [1,0,0,1,0,0|2,0,0]=4 70 B10R1.1 CCCN1CCC(=O)CC1 DY543021 [1,0,0,1,0,0|2,0,0]=4 71 B10R1.15 CCC(=O)N1CCSCC1 DY518595 [1,0,0,1,0,0|2,0,0]=4 72 B10R1.15 COC(=O)C1CCCCC1 NO22810 [1,0,0,1,0,0|2,0,0]=4 73 B10R1.27 COC(=O)CC1CCCC1 DY455676 [1,0,0,1,0,0|2,0,0]=4 74 B10R1.27 NCC(=O)NC1CCCC1 DY585768 [1,0,0,1,0,0|2,0,0]=4 75 B12R1.107 CC(C)CC(=O)C1CCCNC1 DY602147 [0,1,0,1,0,0|2,0,0]=4 76 B12R1.260 CC(C)NC(=O)NC1CCCC1 DY556947 [0,1,0,1,0,0|2,0,0]=4 77 B12R1.456 CCOCCN1CC(N)CC1=O DY667369 [0,1,0,1,0,0|2,0,0]=4 78 B12R1.32 CCNC(=O)OC1CCNCC1 DY641817 [0,1,0,1,0,0|1,0,0]=3 79 B12R1.32 CCOC(=O)CC1CCNCC1 NO18641 [0,1,0,1,0,0|2,0,0]=4 80 B12R1.32 COCC(=O)N[C@H]1CCCNC1 DY632006 [0,1,0,1,0,0|2,0,0]=4 81 B12R1.51 CCCC(=O)OCC1CCCO1 DY759452 [0,1,0,1,0,0|0,0,0]=2 82 B12R1.308 CCOC(=O)C1CCCCN1C NO18952 [0,1,0,1,0,0|2,0,0]=4 83 B12R1.308 CCOC(=O)C1CCCNC1C DY640249 [0,1,0,1,0,0|2,0,0]=4 84 B12R1.308 CCOC(=O)C1CCNCC1C DY586628 [0,1,0,1,0,0|2,0,0]=4 85 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1O DY756769 [0,1,0,1,0,0|2,0,0]=4 86 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@H]1O DY789729 [0,1,0,1,0,0|2,0,0]=4 87 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@H]1O NO11393 [0,1,0,1,0,0|2,0,0]=4 88 B12R1.308 CCOC(=O)[C@H]1CCCN[C@@H]1C DY425240 [0,1,0,1,0,0|2,0,0]=4 89 B12R1.308 CCOC(=O)[C@H]1CCCN[C@H]1C DY639972 [0,1,0,1,0,0|2,0,0]=4 90 B12R1.316 CCOC(=O)C1CCCN1CC DY628893 [0,1,0,1,0,0|2,0,0]=4 91 B12R1.1564 CCOC(=O)C1CCCNCC1 DY686005 [0,1,0,1,0,0|2,0,0]=4 92 B12R1.1564 CCOC(=O)N1CCCNCC1 DY685951 [0,1,0,1,0,0|2,0,0]=4 93 B12R1.53 NCCCC(=O)OC1CCCC1 DY585759 [0,1,0,1,0,0|0,0,0]=2 94 B12R1.321 CCCCC1CCCCC(=O)N1 DY743257 [0,1,0,1,0,0|1,0,0]=3 95 B12R1.17 CCCC(=O)N1CCNC(C)C1 DY733843 [0,1,0,1,0,0|2,0,0]=4 96 B12R1.17 CCOC(=O)C1CCCC(N)C1 NO16766 [0,1,0,1,0,0|2,0,0]=4 97 B12R1.17 CCOC(=O)[C@H]1CCC[C@@H](N)C1 DY585330 [0,1,0,1,0,0|2,0,0]=4 98 B12R1.30 CCCNC(=O)N1CCSCC1 DY528363 [0,1,0,1,0,0|2,0,0]=4 99 B12R1.34 CC[C@H](N)C(=O)N1CCOCC1 DY519465 [0,1,0,1,0,0|2,0,0]=4 100 B12R1.55 CCOC(=O)[C@@H](N)C1CCCC1 DY585772 [0,1,0,1,0,0|2,0,0]=4 101 B12R1.16 CCNC(=O)N1CCC(O)CC1 DY641498 [0,1,0,1,0,0|2,0,0]=4 102 B12R1.16 CCOC(=O)C1CCC(C)CC1 DY756637 [0,1,0,1,0,0|2,0,0]=4 103 B12R1.16 CCOC(=O)C1CCC(O)CC1 NO11365 [0,1,0,1,0,0|2,0,0]=4 104 B12R1.16 CCOC(=O)N1CCC(O)CC1 DY20414 [0,1,0,1,0,0|2,0,0]=4 105 B12R2.1081 O=C1CCCC2CNCCN12 DY686029 [0,0,0,2,0,0|2,0,0]=4 106 B12R2.1081 O=C1CNCC2CCCCN12 DY506112 [0,0,0,2,0,0|2,0,0]=4 107 B12R2.24 O=C1CNC2CCCCC2N1 DY686179 [0,0,0,2,0,0|2,0,0]=4 108 B12R2.5121 O=C1CCNC2(CCCC2)C1 DY585756 [0,0,0,2,0,0|2,0,0]=4 109 B12R2.5121 O=C1CCOC2(CCCC2)C1 DY574953 [0,0,0,2,0,0|2,0,0]=4 110 B12R2.246 C[C@@H]1CC(N)=N[C@@H]2CCC[C@H]12 DY572199 [0,0,0,2,0,0|2,0,0]=4 111 B12R2.1423 O=C(N[C@@H]1CCNC1)C2CC2 DY535221 [0,0,0,2,0,0|2,0,0]=4