0 B9R0.2 CC(C)CCCCCCO D98911 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.2 CNCCCCCC(=O)O AT21580 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.2 NCCCCCCC(N)=O AC7480 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.2 [N-]=[N+]=NCCCCC(=O)O D88530 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.4 C=CCCNCCOC E72576 [1,0,0,0,0,0|3,0,0]=4 5 B8R0.4 CNCCCCCCO AT11159 [1,0,0,0,0,0|1,0,1]=3 6 B8R0.4 COCCNCCCO FD7300 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.4 ClCCCCCCCCl T71360 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.4 NCCCCCCCO AT22494 [1,0,0,0,0,0|1,0,1]=3 9 B8R0.4 OCCCOCCCCl D84666 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.7 CC(=O)NCCCCN S12336 [1,0,0,0,0,0|3,0,0]=4 11 B8R0.7 CCCCC#CC(=O)O T71801 [1,0,0,0,0,0|0,0,2]=3 12 B8R0.7 CCCCNCC(=O)O D87235 [1,0,0,0,0,0|1,0,0]=2 13 B8R0.7 CNCCCNC(C)=O C78307 [1,0,0,0,0,0|3,0,0]=4 14 B8R0.7 NC(=O)CCCCCO AC6170 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.7 O=C(O)CCOCCBr C70446 [1,0,0,0,0,0|2,0,0]=3 16 B8R0.7 O=C(O)CCOCCO C70447 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.7 O=CNCCCC(=O)O AB3831 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.7 [2H][C@H](Br)CCCCCC D99523 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.7 [2H][C@H](O)CCCCCC D99646 [1,0,0,0,0,0|1,0,1]=3 20 B10R0.3 NCCC(=O)NCCC(=O)O 71048 [0,1,0,0,0,0|2,0,1]=4 21 B10R0.4 C=CCCCCCOC(C)=O T72533 [0,1,0,0,0,0|1,0,2]=4 22 B10R0.4 CC(C)CCCCCCCO D98228 [0,1,0,0,0,0|2,0,1]=4 23 B10R0.4 CCCCCC\C=C\C(=O)O A11728 [0,1,0,0,0,0|0,0,1]=2 24 B10R0.4 O=C(O)COCCOCCBr C90635 [0,1,0,0,0,0|2,0,0]=3 25 B10R0.4 O=C(O)COCCOCCCl D71995 [0,1,0,0,0,0|2,0,0]=3 26 B10R0.6 CCCCC[C@H](N)CC(=O)O D88166 [0,1,0,0,0,0|0,0,0]=1 27 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10271 [0,1,0,0,0,0|1,0,0]=2 28 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10272 [0,1,0,0,0,0|1,0,0]=2 29 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10302 [0,1,0,0,0,0|1,0,0]=2 30 B10R0.22 [2H]C([2H])(I)CCCCCCC D98871 [0,1,0,0,0,0|2,0,1]=4 31 B10R0.22 [2H]C([2H])(O)CCCCCCC D98285 [0,1,0,0,0,0|1,0,1]=3 32 B10R0.55 NCC(=O)NCCCC(=O)O T72296 [0,1,0,0,0,0|2,0,1]=4 33 B10R0.74 CCCCCCC[C@H](O)CO T72466 [0,1,0,0,0,0|0,0,2]=3 34 B10R0.74 COC(=O)CCCCCC=O A51072 [0,1,0,0,0,0|1,0,1]=3 35 B10R0.74 COC(=O)CCCCCCN F19219 [0,1,0,0,0,0|1,0,0]=2 36 B10R0.74 OCCCCCC[C@H](O)CO T72401 [0,1,0,0,0,0|1,0,2]=4 37 B10R0.97 CC(=O)NCSCCC(=O)O F19967 [0,1,0,0,0,0|2,0,1]=4 38 B10R1.10 CCCN1CCC[C@H](O)C1 AC5777 [0,0,0,1,0,0|2,0,1]=4 39 B10R1.10 CCC[C@H]1CC(=O)CCN1 C75784 [0,0,0,1,0,0|2,0,0]=3 40 B10R1.18 CC(=O)CN1CCOCC1 F30141 [0,0,0,1,0,0|3,0,0]=4 41 B10R1.18 CC(=O)OC1CCNCC1 95803 [0,0,0,1,0,0|3,0,0]=4 42 B10R1.18 C[C@H](N)CC1CCCCC1 N13140 [0,0,0,1,0,0|2,0,1]=4 43 B10R1.18 NC(=O)CC1CCNCC1 AC9776 [0,0,0,1,0,0|2,0,0]=3 44 B10R1.18 NC(=O)CC1CCOCC1 C14576 [0,0,0,1,0,0|2,0,0]=3 45 B10R1.18 NC(=O)CN1CCNCC1 O10537 [0,0,0,1,0,0|3,0,0]=4 46 B10R1.18 NC(=O)NC1CCNCC1 AT22990 [0,0,0,1,0,0|3,0,0]=4 47 B10R1.18 O=C(Cl)OC1CCOCC1 C77597 [0,0,0,1,0,0|3,0,0]=4 48 B10R1.18 O=C(O)CN1CCSCC1 AT25287 [0,0,0,1,0,0|2,0,0]=3 49 B10R1.18 O=C(O)CN1CCSCC1 W18219 [0,0,0,1,0,0|2,0,0]=3 50 B10R1.18 O=C(O)C[C@H]1CCCCN1 AC1465 [0,0,0,1,0,0|1,0,0]=2 51 B10R1.18 O=C(O)C[C@H]1CCCNC1 AC3441 [0,0,0,1,0,0|1,0,0]=2 52 B10R1.18 O=C(O)C[C@H]1CNCCN1 S11349 [0,0,0,1,0,0|2,0,0]=3 53 B10R1.18 O=C(O)C[C@H]1COCCN1 77662 [0,0,0,1,0,0|2,0,0]=3 54 B10R1.18 O=C(O)C[C@H]1COCCN1 77663 [0,0,0,1,0,0|2,0,0]=3 55 B10R1.18 O=C(O)C[C@H]1COCCN1 77664 [0,0,0,1,0,0|2,0,0]=3 56 B10R1.18 O=C(O)C[C@H]1COCCO1 39095 [0,0,0,1,0,0|2,0,0]=3 57 B10R1.39 CCN1CCC[C@H]1C(N)=O T72395 [0,0,0,1,0,0|2,0,0]=3 58 B10R1.61 CC1=C(C(=O)O)CCCO1 H11485 [0,0,0,1,0,0|1,0,2]=4 59 B10R1.61 CC1CCCCC1B(O)O D96319 [0,0,0,1,0,0|1,0,1]=3 60 B10R1.61 CC1CNCCC1C(=O)O 33568 [0,0,0,1,0,0|1,0,0]=2 61 B10R1.61 CN1CCNC[C@H]1C(=O)O C14452 [0,0,0,1,0,0|2,0,0]=3 62 B10R1.61 CN1CCNC[C@H]1C(=O)O F13276 [0,0,0,1,0,0|2,0,0]=3 63 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O 92901 [0,0,0,1,0,0|1,0,0]=2 64 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O AT11559 [0,0,0,1,0,0|1,0,0]=2 65 B10R1.61 C[C@@H]1NCCC[C@@H]1C(=O)O AT23064 [0,0,0,1,0,0|1,0,0]=2 66 B10R1.61 C[C@H]1CCCC=C1C(=O)O AT26703 [0,0,0,1,0,0|0,0,2]=3 67 B10R1.61 NC(=O)C1CCCCC1N AT21040 [0,0,0,1,0,0|2,0,0]=3 68 B10R1.61 NC1CCCCC1C(=O)O 71292 [0,0,0,1,0,0|1,0,0]=2 69 B10R1.61 N[C@H]1COCC[C@H]1C(=O)O AT19404 [0,0,0,1,0,0|2,0,0]=3 70 B10R1.64 CC(=O)CN1CCC[C@@H]1C F50240 [0,0,0,1,0,0|2,0,0]=3 71 B10R1.64 CC(=O)CN1CCC[C@@H]1C F50307 [0,0,0,1,0,0|2,0,0]=3 72 B10R1.64 CC(=O)CN1CCC[C@@H]1C F50425 [0,0,0,1,0,0|2,0,0]=3 73 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O AC4019 [0,0,0,1,0,0|3,0,0]=4 74 B10R1.64 O=C(O)C[C@H]1CCNC1=O AT19070 [0,0,0,1,0,0|2,0,1]=4 75 B10R1.66 NC(=O)COC1CCCC1 AC6964 [0,0,0,1,0,0|2,0,0]=3 76 B10R1.348 O=C(O)[C@@H]1CCCCCN1 98384 [0,0,0,1,0,0|1,0,0]=2 77 B10R1.348 O=C(O)[C@H]1CCCNCC1 98343 [0,0,0,1,0,0|1,0,0]=2 78 B7R0.1 C=CCCCCCCl I11994 [2,0,0,0,0,0|1,0,1]=4 79 B7R0.1 C=CCCCCCO F14745 [2,0,0,0,0,0|0,0,2]=4 80 B7R0.1 CNCCCCCO AT11157 [2,0,0,0,0,0|1,0,0]=3 81 B7R0.1 CNCCCCCO AT11158 [2,0,0,0,0,0|1,0,0]=3 82 B7R0.1 COCCNCCO AT12488 [2,0,0,0,0,0|2,0,0]=4 83 B7R0.1 C\C=C/CCCCC T72919 [2,0,0,0,0,0|1,0,1]=4 84 B7R0.1 NCCSCCCO AT25557 [2,0,0,0,0,0|2,0,0]=4 85 B7R0.1 O=CCCCCCCl 24359 [2,0,0,0,0,0|1,0,0]=3 86 B7R0.1 OCCCCCCI AT14272 [2,0,0,0,0,0|1,0,0]=3 87 B7R0.1 OCCCNCCO FD7298 [2,0,0,0,0,0|2,0,0]=4 88 B7R0.4 CCCCCC(N)=S W19000 [2,0,0,0,0,0|1,1,0]=4 89 B7R0.4 CCNCCC(N)=O A11725 [2,0,0,0,0,0|2,0,0]=4 90 B7R0.4 CC\C=C/CC(=O)O F18341 [2,0,0,0,0,0|0,0,2]=4 91 B7R0.4 CNCCCC(N)=O AB11605 [2,0,0,0,0,0|2,0,0]=4 92 B7R0.4 NC(=O)CCCCBr AC9465 [2,0,0,0,0,0|2,0,0]=4 93 B7R0.4 NC(=O)CCCCCl AC5718 [2,0,0,0,0,0|2,0,0]=4 94 B7R0.4 NCCCCC(N)=O AC3685 [2,0,0,0,0,0|2,0,0]=4 95 B7R0.4 NCCSCC(=O)O AT25571 [2,0,0,0,0,0|2,0,0]=4 96 B9R0.18 CCCCC(C)CCCC T71863 [1,1,0,0,0,0|1,0,1]=4 97 B9R0.45 C=CCCCCCCCC T73018 [1,1,0,0,0,0|1,0,0]=3 98 B9R0.45 CC#CCCCCCCC H11435 [1,1,0,0,0,0|1,0,1]=4 99 B9R0.45 C\C=C/CCCCCCC T70533 [1,1,0,0,0,0|1,0,0]=3 100 B9R0.46 CCCCCC[C@@H](C)CC T72672 [1,1,0,0,0,0|1,0,1]=4 101 B9R0.46 CCCCCC[C@H](O)CO C16570 [1,1,0,0,0,0|0,0,1]=3 102 B9R0.46 CC[C@H](C)CCCCCO T71591 [1,1,0,0,0,0|0,0,1]=3 103 B9R0.46 OCCCCC[C@H](O)CO T72391 [1,1,0,0,0,0|1,0,1]=4 104 B9R0.1 CC[C@H](C)OCCC(C)=O T71083 [1,1,0,0,0,0|2,0,0]=4 105 B9R0.4 CCCC[C@H](N)CC(=O)O N14199 [1,1,0,0,0,0|0,0,0]=2 106 B9R0.4 CCCC[C@H](N)CC(=O)O N14200 [1,1,0,0,0,0|0,0,0]=2 107 B9R0.47 CCCCCC(=O)C(=O)O A11260 [1,1,0,0,0,0|0,0,1]=3 108 B9R0.47 NCCCC[C@H]([15NH2])C(=O)O D98677 [1,1,0,0,0,0|1,0,0]=3 109 B9R0.55 O=C(O)CCCC[13C](=O)O D98793 [1,1,0,0,0,0|1,0,1]=4 110 B11R0.148 NCCOCCOCCC(=O)O E72611 [0,2,0,0,0,0|1,0,0]=3 111 B11R0.176 CCOC(=O)CCCCC(=O)Cl S10472 [0,2,0,0,0,0|1,0,1]=4 112 B11R0.176 CCOC(=O)NCCCC(=O)O D77267 [0,2,0,0,0,0|1,0,1]=4 113 B11R0.154 CCCCCC(=O)CC(=O)OC A11017 [0,2,0,0,0,0|0,0,1]=3 114 B11R0.29 CC(C)C(=O)NCCCC(=O)O F21044 [0,2,0,0,0,0|1,0,1]=4 115 B11R0.29 CN(C)CCCC[C@H](N)C(=O)O F10776 [0,2,0,0,0,0|1,0,0]=3 116 B11R0.4 CCC\C=C\CCC(=O)OCC E70248 [0,2,0,0,0,0|0,0,2]=4 117 B11R0.4 CCOC(=O)COCCCCO AT19862 [0,2,0,0,0,0|2,0,0]=4 118 B11R0.125 [2H]C([2H])(CCCCCC)C(=O)O D98979 [0,2,0,0,0,0|0,0,0]=2 119 B9R1.5 CN1CCNCCC1=O AT20060 [1,0,0,1,0,0|2,0,0]=4 120 B9R1.5 C[C@@H]1OCCCNC1=O 73063 [1,0,0,1,0,0|2,0,0]=4 121 B9R1.5 N[C@H]1CCCCC[C@@H]1O AT10930 [1,0,0,1,0,0|1,0,1]=4 122 B9R1.5 O=C1CCCCC[C@@H]1Br AT20921 [1,0,0,1,0,0|1,0,0]=3 123 B9R1.5 O=C1CCCCC[C@@H]1Cl T71318 [1,0,0,1,0,0|1,0,0]=3 124 B9R1.5 O=C1CCNCC[C@@H]1Br C90706 [1,0,0,1,0,0|2,0,0]=4 125 B9R1.5 O=C1NCCCC[C@@H]1Br F50955 [1,0,0,1,0,0|2,0,0]=4 126 B9R1.8 C=CC[C@H]1CCCCN1 A51152 [1,0,0,1,0,0|2,0,0]=4 127 B9R1.8 CCC[C@H]1CCCCN1 F16887 [1,0,0,1,0,0|1,0,1]=4 128 B9R1.8 CNCC1CCCCC1 P19116 [1,0,0,1,0,0|2,0,0]=4 129 B9R1.8 CNC[C@H]1CCCCO1 F16332 [1,0,0,1,0,0|1,0,1]=4 130 B9R1.8 NCC[C@H]1CCCCO1 SC1551 [1,0,0,1,0,0|1,0,1]=4 131 B9R1.8 NNCC1CCCCC1 P11239 [1,0,0,1,0,0|2,0,0]=4 132 B9R1.8 O=CCN1CCOCC1 F17543 [1,0,0,1,0,0|2,0,0]=4 133 B9R1.8 OCC[C@H]1CCCOC1 AT23679 [1,0,0,1,0,0|1,0,1]=4 134 B9R1.12 CCCC[C@H]1CCCN1 N12661 [1,0,0,1,0,0|1,0,1]=4 135 B9R1.12 CNCCC1CCCC1 P11107 [1,0,0,1,0,0|2,0,0]=4 136 B9R1.12 CNCC[C@H]1CCCO1 F20641 [1,0,0,1,0,0|1,0,1]=4 137 B9R1.12 NCCCC1CCCC1 F20043 [1,0,0,1,0,0|1,0,1]=4 138 B9R1.15 CCC1CCCCC1C T72380 [1,0,0,1,0,0|1,0,1]=4 139 B9R1.15 CCC1CCCCC1O D90497 [1,0,0,1,0,0|0,0,1]=3 140 B9R1.15 CCN1CCCNC1=O AT26678 [1,0,0,1,0,0|2,0,0]=4 141 B9R1.15 CC[C@H]1CNCCC1=O O11002 [1,0,0,1,0,0|1,0,0]=3 142 B9R1.15 CO[C@H]1CCCC[C@@H]1O A12017 [1,0,0,1,0,0|1,0,1]=4 143 B9R1.15 NCC1CCCCC1O C77667 [1,0,0,1,0,0|1,0,1]=4 144 B9R1.15 N[C@H]1CCCC[C@@H]1CO C80022 [1,0,0,1,0,0|1,0,1]=4 145 B9R1.15 O=C1CCCC[C@@H]1CO F18113 [1,0,0,1,0,0|1,0,0]=3 146 B9R1.15 O=C[C@@H]1CCCCC1=O AT23975 [1,0,0,1,0,0|1,0,1]=4 147 B9R1.33 COC[C@H]1CCNC1=O AT19084 [1,0,0,1,0,0|2,0,0]=4 148 B9R1.33 O=C1NCC[C@@H]1CCO AT19068 [1,0,0,1,0,0|2,0,0]=4 149 B9R1.89 O=CC1CCCCCC1 AT13628 [1,0,0,1,0,0|0,0,0]=2 150 B9R1.89 OC[C@H]1CCCNCC1 73020 [1,0,0,1,0,0|1,0,1]=4 151 B9R1.2 CC[C@H]1CC(=O)CCN1 S10989 [1,0,0,1,0,0|2,0,0]=4 152 B9R1.6 CC(=O)[C@@H]1CCCCN1 F16683 [1,0,0,1,0,0|2,0,0]=4 153 B9R1.6 CC(=O)[C@H]1CCCNC1 P11325 [1,0,0,1,0,0|2,0,0]=4 154 B9R1.6 CC(=O)[C@H]1CCCOC1 AT13308 [1,0,0,1,0,0|2,0,0]=4 155 B9R1.6 C[C@H](O)C1CCCCC1 D77196 [1,0,0,1,0,0|1,0,1]=4 156 B9R1.6 NC(=O)[C@@H]1CCCCN1 CS3415 [1,0,0,1,0,0|2,0,0]=4 157 B9R1.6 O=C(O)[C@@H]1CCCCS1 90959 [1,0,0,1,0,0|1,0,0]=3 158 B9R1.6 O=C(O)[C@@H]1CCCNN1 50467 [1,0,0,1,0,0|2,0,0]=4 159 B9R1.6 O=C(O)[C@@H]1CSCCN1 77694 [1,0,0,1,0,0|2,0,0]=4 160 B9R1.7 CNC[C@H]1CCC(=O)N1 AT13580 [1,0,0,1,0,0|2,0,0]=4 161 B9R1.7 O=C1CC[C@H](CCO)N1 AT10892 [1,0,0,1,0,0|2,0,0]=4 162 B9R1.13 CC(=O)CC1CCCC1 N12760 [1,0,0,1,0,0|1,0,0]=3 163 B9R1.13 CC(=O)CN1CCCC1 F50500 [1,0,0,1,0,0|2,0,0]=4 164 B9R1.13 O=C(O)CC1SCCS1 AT15646 [1,0,0,1,0,0|2,0,0]=4 165 B9R1.13 O=C(O)C[C@H]1CCNC1 P11648 [1,0,0,1,0,0|1,0,0]=3 166 B9R1.13 OB(O)CC1CCCC1 A51283 [1,0,0,1,0,0|1,0,1]=4 167 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O W10213 [1,0,0,1,0,0|1,0,0]=3 168 B9R1.41 C[C@H]1CNC[C@@H]1C(=O)O AT17205 [1,0,0,1,0,0|1,0,0]=3 169 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O AT13997 [1,0,0,1,0,0|1,0,0]=3 170 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13975 [1,0,0,1,0,0|1,0,0]=3 171 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F D97117 [1,0,0,1,0,0|2,0,0]=4 172 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O P14778 [1,0,0,1,0,0|2,0,0]=4 173 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O P16430 [1,0,0,1,0,0|2,0,0]=4 174 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P14685 [1,0,0,1,0,0|2,0,0]=4 175 B9R1.84 O=[N+]([O-])CCC1CCC1 FD10612 [1,0,0,1,0,0|1,0,1]=4 176 B9R1.85 O=C(O)CCNC1CC1 AC5323 [1,0,0,1,0,0|1,0,0]=3 177 B9R1.85 O=C(O)COCC1CC1 12497 [1,0,0,1,0,0|1,0,0]=3 178 B9R1.96 CCC1CN[C@@H]1C(=O)O P15219 [1,0,0,1,0,0|1,0,0]=3 179 B11R1.64 CCC1=C(C(=O)O)CC[C@@H]1O 97944 [0,1,0,1,0,0|0,0,2]=4 180 B11R1.157 O=C(O)C[C@H]1CCCC(=O)C1 97098 [0,1,0,1,0,0|0,0,1]=3 181 B11R1.157 O=C(O)C[C@H]1CCCC(=O)C1 97101 [0,1,0,1,0,0|0,0,1]=3 182 B11R1.166 CC1CC(=O)CCC1C(=O)O AT19934 [0,1,0,1,0,0|0,0,1]=3 183 B11R1.172 O=C(O)CCC[C@H]1CCSS1 AT18213 [0,1,0,1,0,0|1,0,0]=3 184 B11R1.720 O=C(O)CCNC(=O)C1CC1 F21195 [0,1,0,1,0,0|1,0,1]=4 185 B11R1.24 CCCC[C@H]1CC(=O)CCN1 S11327 [0,1,0,1,0,0|1,0,0]=3 186 B11R1.86 C[C@H]1CNCCN1CC(=O)O AC2825 [0,1,0,1,0,0|1,0,0]=3 187 B11R1.91 CC(=O)CCN1CCNCC1 W15258 [0,1,0,1,0,0|2,0,0]=4 188 B11R1.91 NC(=O)COC1CCNCC1 77435 [0,1,0,1,0,0|2,0,0]=4 189 B11R1.91 O=C(O)CC[C@H]1CCCCN1 70380 [0,1,0,1,0,0|0,0,0]=2 190 B11R1.91 O=C(O)CNC1CCCCC1 W15240 [0,1,0,1,0,0|0,0,0]=2 191 B11R1.91 O=C(O)\C=N\N1CCCCC1 E72490 [0,1,0,1,0,0|1,0,1]=4 192 B11R1.271 CC(=O)OC[C@H]1CC[C@@H]1CO P17684 [0,1,0,1,0,0|2,0,0]=4 193 B11R1.742 NC(=O)CN1CCCNCC1 D87056 [0,1,0,1,0,0|2,0,0]=4 194 B11R1.742 O=C(O)C[C@H]1CCCNCC1 AT11731 [0,1,0,1,0,0|0,0,0]=2 195 B11R1.34 CCCC1CC(=O)CC(=O)C1 F16230 [0,1,0,1,0,0|1,0,1]=4 196 B11R1.77 N[C@@H](CC(=O)O)C1CCCC1 AC6602 [0,1,0,1,0,0|0,0,0]=2 197 B11R1.77 N[C@@H](CC(=O)O)C1CCCC1 N14303 [0,1,0,1,0,0|0,0,0]=2 198 B11R1.928 NC1(CC(=O)O)CCNCC1 W15976 [0,1,0,1,0,0|1,0,0]=3 199 B11R1.20 CN1CCC(CC(=O)O)CC1 C78395 [0,1,0,1,0,0|1,0,0]=3 200 B11R1.20 NC1CCC(CC(=O)O)CC1 D76125 [0,1,0,1,0,0|0,0,0]=2 201 B11R1.20 O=C(O)CN1CCC(O)CC1 C80012 [0,1,0,1,0,0|1,0,0]=3 202 B11R1.20 O=C(O)C[C@H]1CC[C@@H](O)CC1 A11165 [0,1,0,1,0,0|0,0,0]=2 203 B11R1.75 CC(C)NC[C@H]1CCC(=O)N1 AT19167 [0,1,0,1,0,0|2,0,0]=4 204 B11R1.313 CN1C(=O)CC[C@@H]1CC(=O)O AT19055 [0,1,0,1,0,0|1,0,1]=4 205 B11R1.849 COC(=O)[C@H]1C[C@@H]1CC(=O)O AT10295 [0,1,0,1,0,0|1,0,1]=4 206 B11R1.849 COC(=O)[C@H]1C[C@@H]1CC(=O)O F50589 [0,1,0,1,0,0|1,0,1]=4 207 B11R1.25 COC(=O)CCN1CCCC1 D72568 [0,1,0,1,0,0|1,0,0]=3 208 B11R1.25 COC(=O)CNC1CCCC1 AB10047 [0,1,0,1,0,0|1,0,0]=3 209 B11R1.25 COC(=O)CO[C@H]1CCNC1 F13057 [0,1,0,1,0,0|2,0,0]=4 210 B11R1.40 COC(=O)C[C@H]1CCCNC1 AB9802 [0,1,0,1,0,0|1,0,0]=3 211 B11R1.40 COC(=O)C[C@H]1CNCCN1 D79031 [0,1,0,1,0,0|2,0,0]=4 212 B11R1.40 COC(=O)C[C@H]1CNCCN1 S11350 [0,1,0,1,0,0|2,0,0]=4 213 B11R1.40 COC(=O)C[C@H]1CNCCO1 F17624 [0,1,0,1,0,0|2,0,0]=4 214 B11R1.40 COC(=O)C[C@H]1CNCCO1 F18995 [0,1,0,1,0,0|2,0,0]=4 215 B11R1.40 COC(=O)C[C@H]1CNCCO1 F18996 [0,1,0,1,0,0|2,0,0]=4 216 B11R1.40 COC(=O)C[C@H]1CNCCO1 F18999 [0,1,0,1,0,0|2,0,0]=4 217 B11R1.40 COC(=O)C[C@H]1COCCN1 73924 [0,1,0,1,0,0|2,0,0]=4 218 B11R1.40 COC(=O)C[C@H]1COCCN1 F14597 [0,1,0,1,0,0|2,0,0]=4 219 B11R1.40 COC(=O)C[C@H]1COCCO1 AT10081 [0,1,0,1,0,0|2,0,0]=4 220 B11R1.40 N[C@H](CO)CC1CCCCC1 C15270 [0,1,0,1,0,0|1,0,1]=4 221 B11R1.40 N[C@H](CO)CC1CCCCC1 C72250 [0,1,0,1,0,0|1,0,1]=4 222 B11R1.40 N[C@H](CO)CC1CCCCC1 C77724 [0,1,0,1,0,0|1,0,1]=4 223 B11R1.115 COC(=O)[C@@H]1CCN1CCF P15233 [0,1,0,1,0,0|2,0,0]=4 224 B11R1.222 COC(=O)C1CCCCC1N F52864 [0,1,0,1,0,0|1,0,0]=3 225 B11R1.222 COC(=O)C1CCCCC1O D76886 [0,1,0,1,0,0|1,0,0]=3 226 B11R1.222 COC(=O)C1CCCNC1C F30030 [0,1,0,1,0,0|1,0,0]=3 227 B11R1.222 COC(=O)C1COCCC1N D87017 [0,1,0,1,0,0|2,0,0]=4 228 B11R1.222 COC(=O)C1NCCCC1O AC4816 [0,1,0,1,0,0|2,0,0]=4 229 B11R1.222 COC(=O)N1CCNC[C@@H]1C AT22989 [0,1,0,1,0,0|2,0,0]=4 230 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N 20978 [0,1,0,1,0,0|1,0,0]=3 231 B11R1.222 COC(=O)[C@H]1CCCN[C@H]1C AC4979 [0,1,0,1,0,0|1,0,0]=3 232 B11R1.852 COC(=O)[C@@H]1CCCCCN1 I11326 [0,1,0,1,0,0|1,0,0]=3 233 B11R1.852 COC(=O)[C@@H]1CNCCCO1 AC5424 [0,1,0,1,0,0|2,0,0]=4 234 B11R1.852 COC(=O)[C@H]1CCCNCC1 P11164 [0,1,0,1,0,0|1,0,0]=3 235 B11R1.35 NC(CC1CCOC1)C(=O)O AT25957 [0,1,0,1,0,0|1,0,0]=3 236 B11R1.35 N[C@@H](CC1CCOC1)C(=O)O D87121 [0,1,0,1,0,0|1,0,0]=3 237 B11R1.35 O=C(O)[C@@H](O)CC1CCCO1 89287 [0,1,0,1,0,0|1,0,0]=3 238 B11R1.36 C[C@@H](C(=O)O)N1CCSCC1 AT25282 [0,1,0,1,0,0|2,0,0]=4 239 B11R1.737 O=C(O)C1(O)CCCCCC1 D87048 [0,1,0,1,0,0|0,0,0]=2 240 B11R1.167 CN1CC[C@H](O)[C@@H](C(=O)O)C1 AT24337 [0,1,0,1,0,0|2,0,0]=4 241 B11R1.167 CN1CC[C@H](O)[C@@H](C(=O)O)C1 AT24773 [0,1,0,1,0,0|2,0,0]=4 242 B11R1.167 CN1CC[C@H](O)[C@H](C(=O)O)C1 AT24336 [0,1,0,1,0,0|2,0,0]=4 243 B11R1.178 CC(C)N1CCC[C@H]1C(=O)O 62910 [0,1,0,1,0,0|1,0,0]=3 244 B11R1.178 CC(C)[C@H]1CNC[C@@H]1C(=O)O C14090 [0,1,0,1,0,0|1,0,0]=3 245 B11R1.178 CC(C)[C@H]1CNC[C@@H]1C(=O)O F15075 [0,1,0,1,0,0|1,0,0]=3 246 B11R2.36 O=C1CCC2CCNC2C1 D72799 [0,0,0,2,0,0|2,0,0]=4 247 B11R2.48 O=C1N[C@H]2CC[C@@H]1CNC2 AT25021 [0,0,0,2,0,0|2,0,0]=4 248 B11R2.106 O=C1CCCN2CCC[C@@H]12 C15384 [0,0,0,2,0,0|2,0,0]=4 249 B11R2.106 O=C1CCNC2CCCC12 F14781 [0,0,0,2,0,0|2,0,0]=4 250 B11R2.106 O=C1CCNC2CCCC12 P10663 [0,0,0,2,0,0|2,0,0]=4 251 B11R2.106 O=C1CNC[C@@H]2CCCN12 90666 [0,0,0,2,0,0|2,0,0]=4 252 B11R2.106 O=C1CNC[C@@H]2CCCN12 F53864 [0,0,0,2,0,0|2,0,0]=4 253 B11R2.106 O=C1CNC[C@@H]2CCCN12 N13360 [0,0,0,2,0,0|2,0,0]=4 254 B11R2.106 O=C1OCCC2CCNC12 33376 [0,0,0,2,0,0|1,0,0]=3 255 B11R2.1478 O=C1CCNC2(CCC2)C1 F13787 [0,0,0,2,0,0|2,0,0]=4 256 B11R2.1 O=C1CC[C@H]2CNCCN12 F18941 [0,0,0,2,0,0|2,0,0]=4 257 B11R2.1 O=C1NCC2CNCCC12 P13958 [0,0,0,2,0,0|2,0,0]=4 258 B11R2.1 O=C1OC[C@H]2CCCCN12 D87354 [0,0,0,2,0,0|1,0,0]=3 259 B11R2.1 O=C1OC[C@H]2CNCCN12 W10095 [0,0,0,2,0,0|2,0,0]=4 260 B11R2.10 O=C1C[C@@H]2CCCC[C@@H]2N1 AT25973 [0,0,0,2,0,0|1,0,0]=3 261 B11R2.352 O=C1C[C@H](C2CCC2)CN1 AT19188 [0,0,0,2,0,0|2,0,0]=4 262 B11R2.748 O=C1NC[C@@]2(CCNC2)O1 AT11747 [0,0,0,2,0,0|2,0,0]=4 263 B11R2.748 O=C1NC[C@@]2(CCNC2)O1 E71008 [0,0,0,2,0,0|2,0,0]=4 264 B11R2.748 O=C1NC[C@@]2(CCNC2)O1 E71009 [0,0,0,2,0,0|2,0,0]=4 265 B11R2.703 O=C1CC2(CCOCC2)N1 AT19047 [0,0,0,2,0,0|2,0,0]=4 266 B11R2.202 O=C1OC(=O)C2CCCC12 80161 [0,0,0,2,0,0|1,0,1]=4 267 B11R2.845 CC(=O)C1CC2CCC1O2 F50487 [0,0,0,2,0,0|2,0,0]=4 268 B11R2.845 O=C(O)C1CC2CCC1O2 F51361 [0,0,0,2,0,0|1,0,0]=3 269 B11R2.845 O=C(O)C1NC2CCC1C2 W14573 [0,0,0,2,0,0|1,0,0]=3 270 B11R2.845 O=C(O)N1CC2CCC1C2 F52740 [0,0,0,2,0,0|1,0,0]=3 271 B11R2.845 O=C(O)[C@H]1N[C@@H]2CC[C@H]1C2 AT22442 [0,0,0,2,0,0|1,0,0]=3 272 B11R2.141 O=C(O)[C@H]1CC12CCCC2 C77582 [0,0,0,2,0,0|0,0,0]=2