0 B11R0.148 C#CCOCCOCCC(=O)O P40283 [0,0,0,0,0,0|2,0,2]=4 1 B11R0.148 NCCOCCOCCC(=O)O P36036 [0,0,0,0,0,0|3,0,0]=3 2 B11R0.148 O=C(O)CCOCCOCCO P41642 [0,0,0,0,0,0|3,0,0]=3 3 B11R0.148 [N-]=[N+]=NCCCCCCC(=O)O P41527 [0,0,0,0,0,0|3,0,0]=3 4 B10R0.4 CCCCCCCCB(O)O Q66526 [1,0,0,0,0,0|1,0,1]=3 5 B10R0.4 NCCCCCCCC(=O)O P43125 [1,0,0,0,0,0|1,0,0]=2 6 B10R0.4 NCCOCCOCC(=O)O P41563 [1,0,0,0,0,0|3,0,0]=4 7 B10R0.4 O=C(O)COCCOCCO P37674 [1,0,0,0,0,0|3,0,0]=4 8 B10R0.4 [N-]=[N+]=NCCCCCC(=O)O 10123 [1,0,0,0,0,0|3,0,0]=4 9 B10R0.71 NCCCCCCCCCO P42705 [1,0,0,0,0,0|1,0,1]=3 10 B12R0.234 COCCOCCOCCC(=O)O P39838 [0,1,0,0,0,0|2,0,0]=3 11 B12R0.248 COC(=O)CCCCCCCCBr P36645 [0,1,0,0,0,0|1,0,0]=2 12 B12R0.248 COC(=O)CCCCCCN=[N+]=[N-] P42904 [0,1,0,0,0,0|3,0,0]=4 13 B12R0.251 C=CCCCCCC[C@@H](N)C(=O)O P41285 [0,1,0,0,0,0|0,0,2]=3 14 B12R0.251 C=CCCCCCC[C@H](N)C(=O)O P42531 [0,1,0,0,0,0|0,0,2]=3 15 B12R0.251 CCCCCCCCC(N)C(=O)O P40474 [0,1,0,0,0,0|0,0,0]=1 16 B12R0.251 CCCCCCCC[C@@H](N)C(=O)O P35862 [0,1,0,0,0,0|0,0,0]=1 17 B12R0.251 CCCCCCCC[C@H](N)C(=O)O P35861 [0,1,0,0,0,0|0,0,0]=1 18 B12R1.125 C=C(C)CNC1CCCCC1C Q59666 [0,0,0,1,0,0|3,0,0]=4 19 B12R1.130 CN1CCCC1COCC(=O)O Q60895 [0,0,0,1,0,0|2,0,0]=3 20 B12R1.130 CN1CCC[C@H]1COCC(=O)O Q60802 [0,0,0,1,0,0|2,0,0]=3 21 B12R1.252 CC(=O)NCCC1CCCNC1 Q57546 [0,0,0,1,0,0|3,0,0]=4 22 B12R1.252 CC(O)CNCC1CCCCC1 Q59649 [0,0,0,1,0,0|2,0,1]=4 23 B12R1.252 O=C(O)CCCN1CCOCC1 P37268 [0,0,0,1,0,0|2,0,0]=3 24 B12R1.252 O=C(O)CCCN1CCOCC1 P38345 [0,0,0,1,0,0|2,0,0]=3 25 B12R1.252 O=C(O)CCNC1CCNCC1 Q57557 [0,0,0,1,0,0|2,0,0]=3 26 B12R1.252 O=C(O)CCOC1CCOCC1 Q57634 [0,0,0,1,0,0|2,0,0]=3 27 B12R1.252 O=C(O)\C=C\CN1CCCCC1 K12318 [0,0,0,1,0,0|1,0,2]=4 28 B12R1.283 CCCC1OCCCC1C(=O)O Q57665 [0,0,0,1,0,0|1,0,0]=2 29 B9R0.2 CCCCCCCB(O)O N24230 [2,0,0,0,0,0|1,0,1]=4 30 B9R0.2 CNCCCCCC(=O)O P42203 [2,0,0,0,0,0|1,0,0]=3 31 B9R0.2 COCCOCCC(=O)O P41094 [2,0,0,0,0,0|2,0,0]=4 32 B9R0.2 O=C(O)CCCCCCBr P38930 [2,0,0,0,0,0|1,0,0]=3 33 B9R0.45 COCCNCCCCO Q69506 [2,0,0,0,0,0|2,0,0]=4 34 B9R0.45 NCCCCCCCCO P40196 [2,0,0,0,0,0|1,0,0]=3 35 B11R0.30 CC(C)\C=C/CCCCC(=O)O Q65978 [1,1,0,0,0,0|0,0,2]=4 36 B11R0.40 COC(=O)CCCCCCCN P36122 [1,1,0,0,0,0|1,0,0]=3 37 B11R0.42 C=CCCCCCC(N)C(=O)O P42177 [1,1,0,0,0,0|0,0,2]=4 38 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O P41284 [1,1,0,0,0,0|0,0,2]=4 39 B11R0.42 C=CCCCCC[C@H](N)C(=O)O P35069 [1,1,0,0,0,0|0,0,2]=4 40 B11R0.42 CCCCCCCC(N)C(=O)O P37523 [1,1,0,0,0,0|0,0,0]=2 41 B11R0.42 CCCCCCC[C@H](N)C(=O)O P41641 [1,1,0,0,0,0|0,0,0]=2 42 B11R0.3 NCCCCCCCCCCO P39512 [1,1,0,0,0,0|0,0,1]=3 43 B11R0.4 CCCCCCCN(C)CCO Q66065 [1,1,0,0,0,0|1,0,1]=4 44 B13R0.54 NCCOCCOCCOCC(=O)O P41562 [0,2,0,0,0,0|2,0,0]=4 45 B13R0.54 O=C(O)COCCOCCOCCO P37673 [0,2,0,0,0,0|2,0,0]=4 46 B13R0.54 [N-]=[N+]=NCCCCCCCCC(=O)O P41330 [0,2,0,0,0,0|1,0,0]=3 47 B13R0.147 COC(=O)CCCCCCCCCBr P39204 [0,2,0,0,0,0|0,0,0]=2 48 B13R0.150 CCCCCCCCC[C@@H](N)C(=O)O P41726 [0,2,0,0,0,0|0,0,0]=2 49 B13R0.150 CCCCCCCCC[C@H](N)C(=O)O P42046 [0,2,0,0,0,0|0,0,0]=2 50 B13R0.2 CCOC(=O)CCCCCCCCBr P39055 [0,2,0,0,0,0|1,0,0]=3 51 B11R1.53 CCC1CNCCC1C(N)=O Q65274 [1,0,0,1,0,0|2,0,0]=4 52 B11R1.53 COC1COCCC1C(=O)O Q61463 [1,0,0,1,0,0|2,0,0]=4 53 B11R1.57 CCN1CCCC1CC(=O)O Q59220 [1,0,0,1,0,0|1,0,0]=3 54 B11R1.57 O=C(O)CN1CCCC1CO Q60830 [1,0,0,1,0,0|2,0,0]=4 55 B11R1.57 O=C(O)CN1CCC[C@H]1CO Q60804 [1,0,0,1,0,0|2,0,0]=4 56 B11R1.86 CN1CCCCC1CC(=O)O Q60600 [1,0,0,1,0,0|1,0,0]=3 57 B11R1.86 O=C(O)C[C@@H]1CCCC[C@H]1O P45493 [1,0,0,1,0,0|1,0,0]=3 58 B11R1.90 CN1CCCC1CCC(=O)O Q60694 [1,0,0,1,0,0|1,0,0]=3 59 B11R1.91 O=C(O)CCC1CCCCN1 S72480 [1,0,0,1,0,0|1,0,0]=3 60 B11R1.91 O=C(O)CCC1CCCOC1 Q57648 [1,0,0,1,0,0|1,0,0]=3 61 B11R1.91 O=C(O)CCC1CCNCC1 P37756 [1,0,0,1,0,0|1,0,0]=3 62 B11R1.91 O=C(O)CCC1CCOCC1 Q52716 [1,0,0,1,0,0|1,0,0]=3 63 B11R1.91 O=C(O)CCC1CNCCO1 P41498 [1,0,0,1,0,0|2,0,0]=4 64 B11R1.91 O=C(O)CCN1CCOCC1 P36933 [1,0,0,1,0,0|2,0,0]=4 65 B11R1.91 O=C(O)CNC1CCNCC1 Q57556 [1,0,0,1,0,0|2,0,0]=4 66 B11R1.91 O=C(O)CNC1CCOCC1 P35022 [1,0,0,1,0,0|2,0,0]=4 67 B11R1.91 O=C(O)COC1CCCCC1 P36437 [1,0,0,1,0,0|1,0,0]=3 68 B11R1.91 O=C(O)COC1CCOCC1 P40856 [1,0,0,1,0,0|2,0,0]=4 69 B11R1.91 O=C(O)\C=C\C1CCCCC1 O30307 [1,0,0,1,0,0|0,0,2]=4 70 B11R1.172 O=C(O)CCCC1CC=CC1 Q52770 [1,0,0,1,0,0|0,0,2]=4 71 B11R1.172 O=C(O)CCCN1CCCC1 P35755 [1,0,0,1,0,0|1,0,0]=3 72 B11R1.742 O=C(O)CC1CCCCCC1 P38069 [1,0,0,1,0,0|0,0,0]=2 73 B11R1.28 CNCCCC1CCCCC1 P37923 [1,0,0,1,0,0|2,0,0]=4 74 B11R1.28 CNCCCC1CCCCC1 P40072 [1,0,0,1,0,0|2,0,0]=4 75 B13R1.158 CN1CCCCC1COCC(=O)O Q60803 [0,1,0,1,0,0|1,0,0]=3 76 B13R1.337 NC(=O)CNCCC1CCCCC1 Q59490 [0,1,0,1,0,0|1,0,0]=3 77 B13R1.4010 CCCN1C(=O)CCC1CC(=O)O Q60705 [0,1,0,1,0,0|1,0,1]=4 78 B13R1.513 NC1CCN(CCCC(=O)O)CC1 Q57582 [0,1,0,1,0,0|1,0,0]=3 79 B13R1.547 COC(=O)C1CCCCC1C(=O)O Q53557 [0,1,0,1,0,0|1,0,1]=4 80 B13R1.547 COC(=O)[C@@H]1CCCC[C@@H]1C(=O)O P44971 [0,1,0,1,0,0|1,0,1]=4 81 B13R1.547 COC(=O)[C@@H]1CCCC[C@H]1C(=O)O 10700 [0,1,0,1,0,0|1,0,1]=4 82 B13R1.643 COC1CNCC(CCC(=O)O)C1 Q59963 [0,1,0,1,0,0|2,0,0]=4 83 B13R1.2744 CCCCOC(=O)[C@H]1C[C@H]1C(=O)O L14756 [0,1,0,1,0,0|1,0,1]=4 84 B13R1.90 CCC1CCCCC1NCC(C)O Q59787 [0,1,0,1,0,0|1,0,1]=4 85 B13R1.718 COC(=O)CCCC1CCCCN1 Q65286 [0,1,0,1,0,0|1,0,0]=3 86 B13R1.718 COC(=O)CCNC1CCOCC1 Q57640 [0,1,0,1,0,0|2,0,0]=4 87 B13R1.351 N[C@@H](CCC1CCCCC1)C(=O)O P42487 [0,1,0,1,0,0|0,0,0]=2 88 B13R1.351 N[C@H](CCC1CCCCC1)C(=O)O P36394 [0,1,0,1,0,0|0,0,0]=2 89 B13R1.45 CC(NCC(=O)O)C1CCCCC1 Q59738 [0,1,0,1,0,0|1,0,0]=3 90 B13R1.45 CC(NCC(N)=O)C1CCCCC1 Q59732 [0,1,0,1,0,0|2,0,0]=4 91 B13R1.45 O=C(O)CCC(=O)N1CCCCC1 P37972 [0,1,0,1,0,0|1,0,1]=4 92 B13R2.10 O=C1NCC(C2CCNCC2)O1 L20397 [0,0,0,2,0,0|2,0,0]=4 93 B13R2.11128 O=C1CCCC2(CCNCC2)N1 I-9600 [0,0,0,2,0,0|2,0,0]=4 94 B13R2.11128 O=C1CCCC2(CCNCC2)N1 Q56272 [0,0,0,2,0,0|2,0,0]=4 95 B13R2.11128 O=C1CCNC2(CCCCC2)C1 Q54143 [0,0,0,2,0,0|2,0,0]=4 96 B13R2.11128 O=C1NCCC2(CCNCC2)O1 Q65206 [0,0,0,2,0,0|2,0,0]=4 97 B13R2.72 O=C(O)C1COC2CCCCC21 Q60597 [0,0,0,2,0,0|1,0,0]=3 98 B13R2.72 O=C(O)C1OCC2COCCC21 Q57420 [0,0,0,2,0,0|2,0,0]=4 99 B13R2.1287 O=C(O)CC1CN2CCC1CC2 P45233 [0,0,0,2,0,0|1,0,0]=3 100 B13R2.1287 O=C(O)CC1CN2CCC1CC2 P45673 [0,0,0,2,0,0|1,0,0]=3 101 B13R2.9384 N#CC1C2CCC1C(C(=O)O)C2 P48203 [0,0,0,2,0,0|1,0,1]=4 102 B13R2.435 O=C(O)C1CC2CCCCC2N1 Q68911 [0,0,0,2,0,0|1,0,0]=3 103 B13R2.435 O=C(O)C1CC2CCCCN2C1 Q59174 [0,0,0,2,0,0|1,0,0]=3 104 B13R2.435 O=C(O)C1CC2CCCCN2C1 Q59175 [0,0,0,2,0,0|1,0,0]=3 105 B13R2.435 O=C(O)C1CC2CCNCC2C1 Q61380 [0,0,0,2,0,0|1,0,0]=3 106 B13R2.435 O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1 Q54450 [0,0,0,2,0,0|1,0,0]=3 107 B13R2.435 [C@@H]12CCCC[C@@H]1N[C@H](C(=O)O)C2 P44556 [0,0,0,2,0,0|1,0,0]=3 108 B13R2.4742 CC1CN2CCN1CC2C(=O)O P48205 [0,0,0,2,0,0|2,0,0]=4 109 B13R2.4742 N[C@@H]1C[C@H]2CC[C@@H]1C[C@H]2C(=O)O P45402 [0,0,0,2,0,0|1,0,0]=3 110 B13R2.4958 NC1CC2CCC1C2CC(=O)O P48183 [0,0,0,2,0,0|1,0,0]=3 111 B13R2.35 O=C(O)C1CNCC12CCCC2 Q54140 [0,0,0,2,0,0|1,0,0]=3 112 B13R2.35 O=C(O)C1CNCC12CCOC2 Q57357 [0,0,0,2,0,0|2,0,0]=4 113 B13R2.35 O=C(O)C1CNCC12CCOC2 Q57358 [0,0,0,2,0,0|2,0,0]=4 114 B13R2.5569 O=C(O)C1NCCN2CCCC12 Q57369 [0,0,0,2,0,0|2,0,0]=4 115 B13R2.5569 O=C(O)C1NCCN2CCCC12 Q57370 [0,0,0,2,0,0|2,0,0]=4 116 B13R2.5569 [C@@H]12CCCN1CCN[C@@H]2C(=O)O Q63650 [0,0,0,2,0,0|2,0,0]=4 117 B13R2.5569 [C@H]12CCCN1CCN[C@H]2C(=O)O Q63651 [0,0,0,2,0,0|2,0,0]=4 118 B13R2.5584 O=C(O)C1COCCC12CNC2 Q54041 [0,0,0,2,0,0|2,0,0]=4 119 B13R2.5509 O=C(O)C1CN2CCCN1CC2 P48290 [0,0,0,2,0,0|2,0,0]=4 120 B13R2.13779 O=C(O)C1C2CCCC1CNC2 P44200 [0,0,0,2,0,0|1,0,0]=3 121 B13R2.13779 O=C(O)C1C2CCCC1CNC2 P49208 [0,0,0,2,0,0|1,0,0]=3 122 B13R2.13779 O=C(O)C1C2CNCC1COC2 P48246 [0,0,0,2,0,0|2,0,0]=4 123 B13R2.13779 O=C(O)C1C2CNCC1COC2 P48530 [0,0,0,2,0,0|2,0,0]=4 124 B13R2.13779 O=C(O)[C@@H]1[C@@H]2CCC[C@H]1CNC2 P48759 [0,0,0,2,0,0|1,0,0]=3 125 B13R2.13779 O=C(O)[C@H]1[C@@H]2CCC[C@H]1CNC2 P50786 [0,0,0,2,0,0|1,0,0]=3 126 B13R2.14125 O=C(O)CC12CCCN1CCC2 G-6047 [0,0,0,2,0,0|1,0,0]=3 127 B13R2.14125 O=C(O)CC12CCCN1CCC2 I-9582 [0,0,0,2,0,0|1,0,0]=3 128 B13R2.13687 O=C(O)C1CC12CCCCCC2 Q54183 [0,0,0,2,0,0|0,0,0]=2