0 B8R0.8 C=CCC[C@H](N)C(=O)O AT23573 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.8 C=CCC[C@H](N)C(=O)O AT23574 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.8 CC#CC[C@H](N)C(=O)O C15512 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.8 CC(=O)N(C)CCCN C78500 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.8 CCCC[C@H](C)C(C)C T70746 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.8 CCCC[C@H](N)C(N)=O S11604 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.8 CCOC[C@H](N)C(=O)O AT12801 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.3 CCCC[C@H](N)CO D75114 [1,0,0,0,0,0|1,0,1]=3 8 B7R0.3 CCCC[C@H](N)CO H10583 [1,0,0,0,0,0|1,0,1]=3 9 B7R0.3 CCSC[C@H](C)NN D88052 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.3 C[C@@H](CCCO)NN D88053 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.4 C#CCNCC(=O)O AT20711 [1,0,0,0,0,0|1,0,2]=4 12 B7R0.4 C#CCOCC(=O)O AT18966 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.4 C#CCSCC(=O)O AT18970 [1,0,0,0,0,0|1,0,2]=4 14 B7R0.4 C=CCOCC(=O)O D77063 [1,0,0,0,0,0|1,0,2]=4 15 B7R0.4 CC(=O)NCCCN AR2174 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.4 CCCCCC(N)=S W19000 [1,0,0,0,0,0|1,1,0]=3 17 B7R0.4 CCNCCC(N)=O A11725 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.4 CC\C=C/CC(=O)O F18341 [1,0,0,0,0,0|0,0,2]=3 19 B7R0.4 CNCCCC(N)=O AB11605 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.4 CNCCNC(C)=O C77870 [1,0,0,0,0,0|3,0,0]=4 21 B7R0.4 COCCC[N+](=O)[O-] E70181 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.4 COC\C=C\C(=O)O P17072 [1,0,0,0,0,0|1,0,2]=4 23 B7R0.4 C[S@](=O)CCCCN 13216 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.4 NC(=O)CCCCBr AC9465 [1,0,0,0,0,0|2,0,0]=3 25 B7R0.4 NC(=O)CCCCCl AC5718 [1,0,0,0,0,0|2,0,0]=3 26 B7R0.4 NCCCCC(N)=O AC3685 [1,0,0,0,0,0|2,0,0]=3 27 B7R0.4 NCCSCC(=O)O AT25571 [1,0,0,0,0,0|2,0,0]=3 28 B7R0.4 O=C(Cl)COCCCl AT18762 [1,0,0,0,0,0|3,0,0]=4 29 B7R0.5 CC(=O)[C@@H](C)CCBr AC2947 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.5 CCCC(=O)C(N)=O AC9508 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.5 CCC[C@H](O)C(N)=O AC9726 [1,0,0,0,0,0|2,0,0]=3 32 B7R0.5 CNC[C@H](N)C(=O)O 88602 [1,0,0,0,0,0|2,0,0]=3 33 B7R0.5 C[Se]C[C@H](N)C(=O)O C16524 [1,0,0,0,0,0|2,0,0]=3 34 B7R0.5 NCC[C@H](F)C(=O)O F19724 [1,0,0,0,0,0|2,0,0]=3 35 B7R0.5 NCC[C@H](N)C(=O)O F10323 [1,0,0,0,0,0|2,0,0]=3 36 B9R0.6 CCC[C@H](N)C(O)C(=O)O 81432 [0,1,0,0,0,0|1,0,0]=2 37 B9R0.6 CCOC(=O)[C@@H](F)C(=O)O C91038 [0,1,0,0,0,0|2,0,1]=4 38 B9R0.7 CC(C)=CC[C@H](N)C(=O)O A50387 [0,1,0,0,0,0|1,0,2]=4 39 B9R0.7 CC(C)=CC[C@H](N)C(=O)O A50388 [0,1,0,0,0,0|1,0,2]=4 40 B9R0.7 CC(C)=CC[C@H](N)C(=O)O A50389 [0,1,0,0,0,0|1,0,2]=4 41 B9R0.7 O=C(O)CC[C@H](O)C(=O)O FD21404 [0,1,0,0,0,0|2,0,1]=4 42 B9R0.7 [15NH2]C(=O)CC[C@H]([15NH2])C(=O)O 41401 [0,1,0,0,0,0|2,0,1]=4 43 B9R0.8 C=CCC[C@H](N)C(=O)OC AT15758 [0,1,0,0,0,0|1,0,2]=4 44 B9R0.13 CCCC[C@@H](CO)C(=O)O 62404 [0,1,0,0,0,0|0,0,0]=1 45 B9R0.13 CCCC[C@H](NC)C(=O)O AT16731 [0,1,0,0,0,0|0,0,0]=1 46 B9R0.13 CCCC[C@H](NC)C(=O)O C15089 [0,1,0,0,0,0|0,0,0]=1 47 B9R0.13 CCCC[C@H](OC)C(=O)O AC6557 [0,1,0,0,0,0|0,0,0]=1 48 B9R0.42 CNC(=O)N[C@@H](C)C(=O)O AT23080 [0,1,0,0,0,0|2,0,1]=4 49 B9R0.42 COC(=O)C[C@H](C)C(=O)O FD10315 [0,1,0,0,0,0|1,0,1]=3 50 B9R0.42 COC(=O)C[C@H](O)C(=O)O AT10894 [0,1,0,0,0,0|2,0,1]=4 51 B9R0.42 COC(=O)N[C@@H](C)C(=O)O 93826 [0,1,0,0,0,0|2,0,1]=4 52 B9R0.47 CCCCCC(=O)C(=O)O A11260 [0,1,0,0,0,0|1,0,1]=3 53 B9R0.47 NCCCC[C@H]([15NH2])C(=O)O D98677 [0,1,0,0,0,0|1,0,0]=2 54 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O C70032 [0,1,0,0,0,0|3,0,0]=4 55 B9R0.51 CCCC[C@](C)(O)C(=O)O D86692 [0,1,0,0,0,0|0,0,0]=1 56 B9R0.51 [2H]C([2H])(CCCC)C(=O)O D97875 [0,1,0,0,0,0|1,0,0]=2 57 B9R0.51 [2H][C@](N)(CCSC)C(=O)O D97873 [0,1,0,0,0,0|2,0,0]=3 58 B9R1.5 CN1CCNCCC1=O AT20060 [0,0,0,1,0,0|3,0,0]=4 59 B9R1.5 C[C@@H]1OCCCNC1=O 73063 [0,0,0,1,0,0|2,0,0]=3 60 B9R1.5 N[C@H]1CCCCC[C@@H]1O AT10930 [0,0,0,1,0,0|2,0,1]=4 61 B9R1.5 N[C@H]1CSCCNC1=O C16734 [0,0,0,1,0,0|3,0,0]=4 62 B9R1.5 O=C1CCCCC[C@@H]1Br AT20921 [0,0,0,1,0,0|2,0,0]=3 63 B9R1.5 O=C1CCCCC[C@@H]1Cl T71318 [0,0,0,1,0,0|2,0,0]=3 64 B9R1.5 O=C1CCNCC[C@@H]1Br C90706 [0,0,0,1,0,0|3,0,0]=4 65 B9R1.5 O=C1NCCCC[C@@H]1Br F50955 [0,0,0,1,0,0|2,0,0]=3 66 B9R1.6 CC(=O)[C@@H]1CCCCN1 F16683 [0,0,0,1,0,0|2,0,0]=3 67 B9R1.6 CC(=O)[C@H]1CCCNC1 P11325 [0,0,0,1,0,0|2,0,0]=3 68 B9R1.6 CC(=O)[C@H]1CCCOC1 AT13308 [0,0,0,1,0,0|2,0,0]=3 69 B9R1.6 C[C@H](Br)C1CCCCC1 O10008 [0,0,0,1,0,0|2,0,1]=4 70 B9R1.6 C[C@H](N)C1CCCCC1 79907 [0,0,0,1,0,0|2,0,1]=4 71 B9R1.6 C[C@H](N)C1CCCCC1 79908 [0,0,0,1,0,0|2,0,1]=4 72 B9R1.6 C[C@H](O)C1CCCCC1 D77196 [0,0,0,1,0,0|1,0,1]=3 73 B9R1.6 NC(=O)N1CCNCC1 D76637 [0,0,0,1,0,0|3,0,0]=4 74 B9R1.6 NC(=O)N1CCOCC1 F14225 [0,0,0,1,0,0|3,0,0]=4 75 B9R1.6 NC(=O)[C@@H]1CCCCN1 CS3415 [0,0,0,1,0,0|2,0,0]=3 76 B9R1.6 NC(=O)[C@@H]1CNCCO1 W13722 [0,0,0,1,0,0|3,0,0]=4 77 B9R1.6 NC(=O)[C@@H]1COCCN1 F17613 [0,0,0,1,0,0|3,0,0]=4 78 B9R1.6 NC(=O)[C@@H]1COCCN1 F19100 [0,0,0,1,0,0|3,0,0]=4 79 B9R1.6 O=C(O)C1=CCCNC1 C10916 [0,0,0,1,0,0|1,0,2]=4 80 B9R1.6 O=C(O)C1=CCCNC1 F13202 [0,0,0,1,0,0|1,0,2]=4 81 B9R1.6 O=C(O)C1=CCCOC1 SC1721 [0,0,0,1,0,0|1,0,2]=4 82 B9R1.6 O=C(O)[C@@H]1CCCCS1 90959 [0,0,0,1,0,0|1,0,0]=2 83 B9R1.6 O=C(O)[C@@H]1CCCNN1 50467 [0,0,0,1,0,0|2,0,0]=3 84 B9R1.6 O=C(O)[C@@H]1CSCCN1 77694 [0,0,0,1,0,0|2,0,0]=3 85 B9R1.23 CN1C[C@H](CBr)OC1=O W13271 [0,0,0,1,0,0|2,0,0]=3 86 B9R1.23 CN1C[C@H](CBr)OC1=O W13272 [0,0,0,1,0,0|2,0,0]=3 87 B9R1.35 CC(=O)N1CC[C@H](N)C1 C72166 [0,0,0,1,0,0|3,0,0]=4 88 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53665 [0,0,0,1,0,0|2,0,1]=4 89 B9R1.35 CC1=NO[C@H](C(=O)O)C1 H10561 [0,0,0,1,0,0|2,0,1]=4 90 B9R1.35 CN1CC[C@H](C(=O)O)C1 P14492 [0,0,0,1,0,0|1,0,0]=2 91 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 AT11433 [0,0,0,1,0,0|1,0,0]=2 92 B9R1.35 NC1CNC(C(=O)O)C1 F19644 [0,0,0,1,0,0|2,0,0]=3 93 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 86111 [0,0,0,1,0,0|1,0,2]=4 94 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 AC1030 [0,0,0,1,0,0|1,0,0]=2 95 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 S11069 [0,0,0,1,0,0|1,0,0]=2 96 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 C15010 [0,0,0,1,0,0|2,0,0]=3 97 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 C74364 [0,0,0,1,0,0|2,0,0]=3 98 B9R1.35 O=C(O)C1CC(F)CN1 39473 [0,0,0,1,0,0|2,0,0]=3 99 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 P13403 [0,0,0,1,0,0|2,0,0]=3 100 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 P14546 [0,0,0,1,0,0|2,0,0]=3 101 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 P10236 [0,0,0,1,0,0|2,0,0]=3 102 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 P11252 [0,0,0,1,0,0|2,0,0]=3 103 B9R1.35 O=C1C[C@H](C(=O)O)CN1 P15832 [0,0,0,1,0,0|2,0,1]=4 104 B9R1.40 C[C@H]1CNCCS1(=O)=O AT10753 [0,0,0,1,0,0|2,0,1]=4 105 B9R1.40 C[C@H]1CNCCS1(=O)=O AT10754 [0,0,0,1,0,0|2,0,1]=4 106 B9R1.40 C[C@H]1CNCCS1(=O)=O D75214 [0,0,0,1,0,0|2,0,1]=4 107 B9R1.69 CN1CC[C@H](N)CC1=O P10312 [0,0,0,1,0,0|3,0,0]=4 108 B9R1.95 CC(=O)N1CC(CN)C1 AB10325 [0,0,0,1,0,0|3,0,0]=4 109 B9R1.110 C[C@@H](C(=O)O)N1CCC1 AT24076 [0,0,0,1,0,0|1,0,0]=2 110 B9R1.110 N[C@H](C(=O)O)C1CCC1 F51887 [0,0,0,1,0,0|1,0,0]=2 111 B9R1.110 O=C(O)[C@@H](Br)C1CCC1 D79277 [0,0,0,1,0,0|1,0,0]=2 112 B9R1.163 CC1(C(=O)O)CSSC1 C15279 [0,0,0,1,0,0|2,0,0]=3 113 B9R1.163 C[C@]1(C(=O)O)CCNC1 D72045 [0,0,0,1,0,0|1,0,0]=2 114 B9R1.163 N[C@@]1(C(=O)O)CCNC1 F19622 [0,0,0,1,0,0|2,0,0]=3 115 B9R1.163 O=C(O)[C@]1(F)CCNC1 P12597 [0,0,0,1,0,0|2,0,0]=3 116 B9R1.163 O=C(O)[C@]1(O)CCNC1 32143 [0,0,0,1,0,0|2,0,0]=3 117 B9R1.163 O=C(O)[C@]1(O)CCOC1 F53622 [0,0,0,1,0,0|2,0,0]=3 118 B9R1.163 [2H][C@@]1(C(=O)O)CCCN1 D98940 [0,0,0,1,0,0|2,0,0]=3 119 B9R0.4 CCCC[C@H](N)CC(=O)O N14199 [0,0,0,0,0,1|1,0,0]=2 120 B9R0.4 CCCC[C@H](N)CC(=O)O N14200 [0,0,0,0,0,1|1,0,0]=2 121 B6R0.1 C=C[C@@H](C)CCC T72328 [2,0,0,0,0,0|1,0,0]=3 122 B6R0.1 CCC[C@H](C)CBr S11885 [2,0,0,0,0,0|1,0,1]=4 123 B6R0.1 COC[C@@H](C)CO O10176 [2,0,0,0,0,0|1,0,1]=4 124 B6R0.1 C[C@H](CO)CCO 96740 [2,0,0,0,0,0|1,0,1]=4 125 B6R0.4 C=C(C)CCCO 71061 [2,0,0,0,0,0|1,0,1]=4 126 B6R0.4 CC#CCC(=O)O AT21835 [2,0,0,0,0,0|0,0,2]=4 127 B6R0.4 CCNCC(=O)O T72729 [2,0,0,0,0,0|1,0,0]=3 128 B6R0.4 CCNC[C@H](C)O 91070 [2,0,0,0,0,0|1,0,0]=3 129 B6R0.4 CNCCC(N)=O C78256 [2,0,0,0,0,0|2,0,0]=4 130 B6R0.4 C[C@H](N)CCCO AT20758 [2,0,0,0,0,0|2,0,0]=4 131 B6R0.4 C[C@H](O)CCC#N F51113 [2,0,0,0,0,0|1,0,1]=4 132 B6R0.4 C[C@H](O)CCCBr A11305 [2,0,0,0,0,0|1,0,0]=3 133 B6R0.4 C[C@H](O)CCCN AT20756 [2,0,0,0,0,0|1,0,0]=3 134 B6R0.4 NC(=O)CCCO AT20755 [2,0,0,0,0,0|2,0,0]=4 135 B6R0.4 NCCCC(=O)O T70552 [2,0,0,0,0,0|1,0,0]=3 136 B6R0.4 NCCCC(N)=O AC5898 [2,0,0,0,0,0|2,0,0]=4 137 B6R0.4 NOCCC(=O)O AT14539 [2,0,0,0,0,0|2,0,0]=4 138 B6R0.4 [2H][C@H](Br)CCCC D99408 [2,0,0,0,0,0|2,0,0]=4 139 B6R0.6 O=CNCCCO AC9004 [2,0,0,0,0,0|2,0,0]=4 140 B6R0.6 [2H]OCCCCC D99155 [2,0,0,0,0,0|2,0,0]=4 141 B6R0.3 C=C(CC)C(=O)O 81925 [2,0,0,0,0,0|0,0,2]=4 142 B6R0.3 CC[C@H](S)C(=O)O F11548 [2,0,0,0,0,0|1,0,0]=3 143 B6R0.3 C[C@@H](CN)C(=O)O 32005 [2,0,0,0,0,0|1,0,0]=3 144 B6R0.3 C[C@H](C#N)C(=O)O C77562 [2,0,0,0,0,0|1,0,1]=4 145 B6R0.3 C[C@H](ON)C(=O)O AT14508 [2,0,0,0,0,0|2,0,0]=4 146 B6R0.3 NC[C@H](F)C(=O)O 94840 [2,0,0,0,0,0|2,0,0]=4 147 B6R0.3 NC[C@H](F)C(=O)O 94844 [2,0,0,0,0,0|2,0,0]=4 148 B6R0.3 NC[C@H](F)C(=O)O 94847 [2,0,0,0,0,0|2,0,0]=4 149 B6R0.3 N[C@@H](CCl)C(=O)O FD21125 [2,0,0,0,0,0|2,0,0]=4 150 B6R0.3 O=C(O)[C@@H](Br)CF AT22926 [2,0,0,0,0,0|2,0,0]=4 151 B6R0.3 O=C(O)[C@@H](Cl)CO 21136 [2,0,0,0,0,0|2,0,0]=4 152 B6R0.3 [15NH2][C@@H](CO)C(=O)O 41392 [2,0,0,0,0,0|2,0,0]=4 153 B8R0.1 CCCC[C@H](N)CCO D73273 [1,1,0,0,0,0|1,0,1]=4 154 B8R0.3 CCCC(C)C(C)CC T71461 [1,1,0,0,0,0|1,0,1]=4 155 B8R0.3 CCCC(C)C(N)CO AT16873 [1,1,0,0,0,0|1,0,1]=4 156 B8R0.6 CC[C@H](C)CCCCO T72651 [1,1,0,0,0,0|1,0,1]=4 157 B8R0.9 CC(C)CC[C@H](N)CO AT16865 [1,1,0,0,0,0|1,0,1]=4 158 B8R0.9 CCC(C)CCC(C)N C14677 [1,1,0,0,0,0|1,0,1]=4 159 B8R0.19 CCC(C)CC(N)CO AT16871 [1,1,0,0,0,0|1,0,1]=4 160 B8R0.25 CCCCC(C)(C)C#N T71059 [1,1,0,0,0,0|1,0,1]=4 161 B8R0.25 CCCC[C@](C)(N)CO AT11270 [1,1,0,0,0,0|0,0,1]=3 162 B8R0.5 C=CC[C@H](N)CC(=O)O 77811 [1,1,0,0,0,0|0,0,2]=4 163 B8R0.5 CCC[C@H](C)OC(C)=O 73904 [1,1,0,0,0,0|2,0,0]=4 164 B8R0.5 CCC[C@H](N)CC(=O)O N15479 [1,1,0,0,0,0|0,0,0]=2 165 B8R0.5 CCC[C@H](N)CC(=O)O N15480 [1,1,0,0,0,0|0,0,0]=2 166 B8R0.7 CC(=O)NCCCCN S12336 [1,1,0,0,0,0|2,0,0]=4 167 B8R0.7 CCCCC#CC(=O)O T71801 [1,1,0,0,0,0|0,0,1]=3 168 B8R0.7 CCCCNCC(=O)O D87235 [1,1,0,0,0,0|0,0,0]=2 169 B8R0.7 CNCCCNC(C)=O C78307 [1,1,0,0,0,0|2,0,0]=4 170 B8R0.7 NC(=O)CCCCCO AC6170 [1,1,0,0,0,0|1,0,0]=3 171 B8R0.7 O=C(O)CCOCCBr C70446 [1,1,0,0,0,0|1,0,0]=3 172 B8R0.7 O=C(O)CCOCCO C70447 [1,1,0,0,0,0|1,0,0]=3 173 B8R0.7 O=CNCCCC(=O)O AB3831 [1,1,0,0,0,0|1,0,1]=4 174 B8R0.7 [2H][C@H](O)CCCCCC D99646 [1,1,0,0,0,0|1,0,1]=4 175 B8R0.21 COCCCS(=O)(=O)O AC6285 [1,1,0,0,0,0|2,0,0]=4 176 B8R0.21 [2H]C([2H])(O)CCCCC D99028 [1,1,0,0,0,0|1,0,1]=4 177 B8R0.28 C=C(C)CCCC(C)C T70747 [1,1,0,0,0,0|2,0,0]=4 178 B8R0.28 CC(=O)CCCC(C)=O AC9369 [1,1,0,0,0,0|1,0,1]=4 179 B8R0.28 CC(=O)CCCN(C)C AC6136 [1,1,0,0,0,0|2,0,0]=4 180 B8R0.28 CC(C)CCOC(=O)Cl AC2336 [1,1,0,0,0,0|2,0,0]=4 181 B8R0.28 CC(C)C\C=C\C(=O)O 81164 [1,1,0,0,0,0|0,0,2]=4 182 B8R0.28 CN(C)CCCC(=O)O A11102 [1,1,0,0,0,0|1,0,0]=3 183 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O 60005 [1,1,0,0,0,0|1,0,0]=3 184 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O T70778 [1,1,0,0,0,0|1,0,0]=3 185 B8R0.12 C=CC[C@](C)(N)C(=O)O F12085 [1,1,0,0,0,0|0,0,2]=4 186 B8R0.12 CC(C)(CCF)C(=O)O AT15946 [1,1,0,0,0,0|1,0,0]=3 187 B8R0.12 CC(C)(CCN)C(=O)O 30051 [1,1,0,0,0,0|1,0,0]=3 188 B8R0.12 CC(C)(CCN)C(=O)O 74008 [1,1,0,0,0,0|1,0,0]=3 189 B8R0.12 CCCC(F)(F)C(=O)O AT13009 [1,1,0,0,0,0|1,0,0]=3 190 B8R0.12 CCC[C@](C)(N)C(=O)O AT19771 [1,1,0,0,0,0|0,0,0]=2 191 B8R0.12 CCC[C@](C)(N)C(=O)O D78558 [1,1,0,0,0,0|0,0,0]=2 192 B8R0.12 CCNC(C)(C)C(=O)O AT23404 [1,1,0,0,0,0|1,0,0]=3 193 B8R0.12 CNCC(F)(F)C(=O)O F53123 [1,1,0,0,0,0|2,0,0]=4 194 B8R0.12 CNCC(F)(F)C(=O)O F53124 [1,1,0,0,0,0|2,0,0]=4 195 B8R0.12 COCC(F)(F)C(=O)O AT25474 [1,1,0,0,0,0|2,0,0]=4 196 B8R0.12 COC[C@](C)(N)C(=O)O AT12803 [1,1,0,0,0,0|1,0,0]=3 197 B8R0.12 CSCC(C)(C)C(=O)O W18315 [1,1,0,0,0,0|1,0,0]=3 198 B8R0.12 [2H]C([2H])(CCC)C(=O)O D98364 [1,1,0,0,0,0|1,0,0]=3 199 B8R0.12 [2H]C([2H])(CCN)C(=O)O D98120 [1,1,0,0,0,0|2,0,0]=4 200 B8R0.15 CCC[C@H](NC)C(=O)O AT16735 [1,1,0,0,0,0|0,0,0]=2 201 B8R0.15 CCC[C@H](NC)C(=O)O C15224 [1,1,0,0,0,0|0,0,0]=2 202 B8R0.15 CCC[C@H](OC)C(=O)O AC8429 [1,1,0,0,0,0|0,0,0]=2 203 B8R0.15 CCO[C@@H](CC)C(=O)O AC6373 [1,1,0,0,0,0|1,0,0]=3 204 B8R0.15 CN[C@@H](COC)C(=O)O AT12797 [1,1,0,0,0,0|1,0,0]=3 205 B8R0.23 CC(C)O[C@@H](C)C(=O)O AT22894 [1,1,0,0,0,0|1,0,0]=3 206 B8R0.23 CN(C)C[C@H](N)C(=O)O 51291 [1,1,0,0,0,0|2,0,0]=4 207 B8R0.23 CN(C)C[C@H](N)C(=O)O D75181 [1,1,0,0,0,0|2,0,0]=4 208 B8R0.23 N[C@@H](CC(F)F)C(=O)O F53560 [1,1,0,0,0,0|2,0,0]=4 209 B10R0.6 CCCCC[C@H](N)CC(=O)O D88166 [0,1,0,0,0,1|1,0,0]=3 210 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10271 [0,1,0,0,0,1|1,0,0]=3 211 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10272 [0,1,0,0,0,1|1,0,0]=3 212 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10302 [0,1,0,0,0,1|1,0,0]=3 213 B10R0.44 CC[C@H](C)C\C(C)=C\C(=O)O C15343 [0,1,0,0,0,1|0,0,1]=3 214 B10R0.35 CCCC(=O)[C@H](C)C(=O)ON W18321 [0,2,0,0,0,0|0,0,1]=3 215 B10R0.43 CC(=O)NCC(C)(C)C(=O)O W18327 [0,2,0,0,0,0|1,0,1]=4 216 B10R0.82 CNC(=O)CC[C@H](N)C(=O)O AC6186 [0,2,0,0,0,0|1,0,1]=4 217 B10R0.82 COC(=O)CC[C@H](N)C(=O)O 43932 [0,2,0,0,0,0|1,0,1]=4 218 B10R0.92 CC(C)(C)OC[C@H](N)C(=O)O C77965 [0,2,0,0,0,0|2,0,0]=4 219 B10R0.92 CC(C)(C)OC[C@H](O)C(=O)O 70226 [0,2,0,0,0,0|2,0,0]=4 220 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O 74100 [0,2,0,0,0,0|2,0,0]=4 221 B10R0.92 CS(=O)(=O)CC[C@H](O)C(=O)O 43973 [0,2,0,0,0,0|2,0,0]=4 222 B10R0.92 N[C@@H](CCC(F)(F)F)C(=O)O 96817 [0,2,0,0,0,0|2,0,0]=4 223 B10R0.93 CC(CC(C)C(=O)O)C(=O)O AC5543 [0,2,0,0,0,0|1,0,1]=4 224 B10R0.93 CC(N)C(=O)NC(C)C(=O)O A12386 [0,2,0,0,0,0|1,0,1]=4 225 B10R0.93 CC(N)C(=O)N[C@@H](C)C(=O)O A12672 [0,2,0,0,0,0|1,0,1]=4 226 B10R0.19 C\C=C\C[C@H](C)C(=O)OCC W16076 [0,2,0,0,0,0|0,0,2]=4 227 B10R0.46 COC(=O)C[C@H](C)C(=O)OC 65404 [0,2,0,0,0,0|1,0,1]=4 228 B10R0.83 COC(=O)[C@@H](N)CCCCN S11847 [0,2,0,0,0,0|1,0,0]=3 229 B10R0.124 CCC(=O)C(C)(C)CCOC F30717 [0,2,0,0,0,0|2,0,0]=4 230 B10R0.86 CN[C@@H](CCCCN)C(=O)O AT16724 [0,2,0,0,0,0|0,0,0]=2 231 B10R0.88 CCCC[C@H](CCC)C(=O)O D86923 [0,2,0,0,0,0|0,0,0]=2 232 B10R0.88 CCCC[C@H](OCC)C(=O)O AC2659 [0,2,0,0,0,0|0,0,0]=2 233 B10R0.133 CCCC[C@@](N)(CC)C(=O)O D78555 [0,2,0,0,0,0|0,0,0]=2 234 B10R0.26 CCCS(=O)C[C@H](N)C(=O)O D86843 [0,2,0,0,0,0|1,0,0]=3 235 B10R0.26 CCOC(=O)N[C@@H](C)C(=O)O 93835 [0,2,0,0,0,0|1,0,1]=4 236 B10R0.26 CCOC(=O)N[C@@H](C)C(=O)O 93836 [0,2,0,0,0,0|1,0,1]=4 237 B10R0.26 [NH3+][C@@H](CC(=O)CCCl)C(=O)O C93229 [0,2,0,0,0,0|1,0,1]=4 238 B10R0.67 CCS(=O)(=O)N[C@@H](C)C(=O)O AT22610 [0,2,0,0,0,0|2,0,0]=4 239 B10R0.42 C=CCCC[C@](C)(N)C(=O)O F12086 [0,2,0,0,0,0|0,0,1]=3 240 B10R0.42 C=CCCC[C@](C)(N)C(=O)O F12114 [0,2,0,0,0,0|0,0,1]=3 241 B10R0.42 [2H]C([2H])(CCCCC)C(=O)O D99595 [0,2,0,0,0,0|1,0,0]=3 242 B10R0.98 CN(C)CCC[C@H](N)C(=O)O F14408 [0,2,0,0,0,0|1,0,0]=3 243 B10R0.98 O=C(O)CCC[C@H](O)C(=O)O AC1615 [0,2,0,0,0,0|1,0,1]=4 244 B8R1.1 CC1CC(CO)CN1 W10508 [1,0,0,1,0,0|1,0,1]=4 245 B8R1.1 OCC1CCC(F)C1 AT22250 [1,0,0,1,0,0|1,0,1]=4 246 B8R1.2 CNC1CCCCC1 S12279 [1,0,0,1,0,0|2,0,0]=4 247 B8R1.2 O=CC1CCNCC1 62056 [1,0,0,1,0,0|1,0,0]=3 248 B8R1.3 CC1COC(C)CN1 F12415 [1,0,0,1,0,0|1,0,1]=4 249 B8R1.3 C[C@H]1CC[C@H](C)NC1 29624 [1,0,0,1,0,0|1,0,1]=4 250 B8R1.3 C[C@H]1CN[C@H](C)CO1 S11084 [1,0,0,1,0,0|1,0,1]=4 251 B8R1.5 CC1CCNCC1O 38881 [1,0,0,1,0,0|1,0,1]=4 252 B8R1.5 CC1NCCCC1O W19147 [1,0,0,1,0,0|1,0,1]=4 253 B8R1.5 CN1CCCCC1=O C16744 [1,0,0,1,0,0|1,0,0]=3 254 B8R1.5 CN1CCSCC1=O AT12016 [1,0,0,1,0,0|2,0,0]=4 255 B8R1.5 C[C@@H]1CCNC[C@@H]1O 38884 [1,0,0,1,0,0|1,0,1]=4 256 B8R1.5 C[C@@H]1CNCC[C@@H]1O A11539 [1,0,0,1,0,0|1,0,1]=4 257 B8R1.5 C[C@H]1CCNCC1=O P13522 [1,0,0,1,0,0|1,0,0]=3 258 B8R1.5 C[C@H]1CCNC[C@@H]1O P12384 [1,0,0,1,0,0|1,0,1]=4 259 B8R1.5 C[C@H]1CCNC[C@@H]1O W19323 [1,0,0,1,0,0|1,0,1]=4 260 B8R1.5 C[C@H]1CCOCC1=O F53480 [1,0,0,1,0,0|1,0,0]=3 261 B8R1.5 NC1CCCCC1O F13372 [1,0,0,1,0,0|1,0,1]=4 262 B8R1.5 N[C@@H]1CCCC[C@@H]1O F53834 [1,0,0,1,0,0|1,0,1]=4 263 B8R1.5 N[C@H]1CCCNC1=O 51548 [1,0,0,1,0,0|2,0,0]=4 264 B8R1.5 O=C1CCNC[C@@H]1Br F13559 [1,0,0,1,0,0|2,0,0]=4 265 B8R1.5 O=C1CCNC[C@@H]1Br F13560 [1,0,0,1,0,0|2,0,0]=4 266 B8R1.5 O=C1CCNC[C@@H]1F P11685 [1,0,0,1,0,0|2,0,0]=4 267 B8R1.22 C[C@H]1CCCCCN1 AT22104 [1,0,0,1,0,0|2,0,0]=4 268 B8R1.22 C[C@H]1COCCCN1 AT11435 [1,0,0,1,0,0|1,0,1]=4 269 B8R1.38 N[C@@H](CO)C1CCC1 N11362 [1,0,0,1,0,0|1,0,1]=4 270 B8R1.40 N[C@H](CO)CC1CC1 D75110 [1,0,0,1,0,0|1,0,1]=4 271 B8R1.40 N[C@H](CO)CC1CC1 D75111 [1,0,0,1,0,0|1,0,1]=4 272 B8R1.40 N[C@H](CO)CC1CC1 N13000 [1,0,0,1,0,0|1,0,1]=4 273 B8R1.50 CC1CCC(C)C1=O F12414 [1,0,0,1,0,0|0,0,0]=2 274 B8R1.50 CN1CC[C@H](N)C1=O D97088 [1,0,0,1,0,0|2,0,0]=4 275 B8R1.50 CN1CC[C@H](O)C1=O AT18763 [1,0,0,1,0,0|2,0,0]=4 276 B8R1.52 C[C@]1(CO)CCCN1 AT21799 [1,0,0,1,0,0|1,0,1]=4 277 B8R1.52 OCC1(F)CCCC1 85748 [1,0,0,1,0,0|1,0,1]=4 278 B8R1.4 CC1CCOS(=O)O1 A12529 [1,0,0,1,0,0|2,0,0]=4 279 B8R1.4 CN1CCCC(=O)C1 C14007 [1,0,0,1,0,0|2,0,0]=4 280 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [1,0,0,1,0,0|2,0,0]=4 281 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [1,0,0,1,0,0|1,0,0]=3 282 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [1,0,0,1,0,0|1,0,0]=3 283 B8R1.4 C[C@H]1CNCC(=O)N1 P13905 [1,0,0,1,0,0|2,0,0]=4 284 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [1,0,0,1,0,0|2,0,0]=4 285 B8R1.7 CC(=O)[C@@H]1CCCN1 F13089 [1,0,0,1,0,0|2,0,0]=4 286 B8R1.7 CC(=O)[C@@H]1CCCO1 74204 [1,0,0,1,0,0|2,0,0]=4 287 B8R1.7 CC(=O)[C@H]1CCNC1 78818 [1,0,0,1,0,0|2,0,0]=4 288 B8R1.7 N=C(N)C1CCCC1 71790 [1,0,0,1,0,0|2,0,0]=4 289 B8R1.7 NC(=O)[C@H]1CCNC1 P11232 [1,0,0,1,0,0|2,0,0]=4 290 B8R1.7 NC(=S)C1CCCC1 N13298 [1,0,0,1,0,0|1,1,0]=4 291 B8R1.7 O=C(Cl)[C@H]1CCOC1 A12769 [1,0,0,1,0,0|2,0,0]=4 292 B8R1.7 O=C(O)[C@@H]1CCCS1 98590 [1,0,0,1,0,0|1,0,0]=3 293 B8R1.7 O=C(O)[C@@H]1CCCS1 98591 [1,0,0,1,0,0|1,0,0]=3 294 B8R1.7 O=C(O)[C@@H]1CCNO1 AT14856 [1,0,0,1,0,0|2,0,0]=4 295 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O P18148 [1,0,0,1,0,0|1,0,0]=3 296 B8R1.34 O=C(Cl)CC1CCC1 AT23645 [1,0,0,1,0,0|1,0,0]=3 297 B8R1.34 O=C(O)CC1CNC1 A50755 [1,0,0,1,0,0|1,0,0]=3 298 B8R1.34 O=C(O)CC1CNC1 P10897 [1,0,0,1,0,0|1,0,0]=3 299 B8R1.35 O=C(Cl)OCC1CC1 C77515 [1,0,0,1,0,0|2,0,0]=4 300 B8R1.36 CCCCC[C@H]1CO1 T72538 [1,0,0,1,0,0|1,0,1]=4 301 B8R1.43 CCC1CC1C(=O)O AT12378 [1,0,0,1,0,0|0,0,0]=2 302 B8R1.72 N=S1(=O)CCCCC1 AT11345 [1,0,0,1,0,0|2,0,0]=4 303 B8R1.18 C[C@H]1CC(=O)N(C)C1 F18257 [1,0,0,1,0,0|2,0,0]=4 304 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 37681 [1,0,0,1,0,0|0,0,0]=2 305 B8R1.23 NC1CC(C(=O)O)C1 87717 [1,0,0,1,0,0|1,0,0]=3 306 B8R1.54 N[C@H](C(=O)O)C1CC1 59338 [1,0,0,1,0,0|1,0,0]=3 307 B8R1.78 CC1(C(=O)Cl)CCC1 C77609 [1,0,0,1,0,0|1,0,0]=3 308 B8R1.78 CC1(C(=O)O)CNC1 A50764 [1,0,0,1,0,0|1,0,0]=3 309 B8R1.78 NC1(C(=O)O)COC1 AT13394 [1,0,0,1,0,0|2,0,0]=4 310 B10R1.18 CC(=O)OC1CCNCC1 95803 [0,0,0,1,0,1|2,0,0]=4 311 B10R1.18 NC(=O)CC1CCNCC1 AC9776 [0,0,0,1,0,1|2,0,0]=4 312 B10R1.18 NC(=O)CC1CCOCC1 C14576 [0,0,0,1,0,1|2,0,0]=4 313 B10R1.18 NC(=O)NC1CCNCC1 AT22990 [0,0,0,1,0,1|2,0,0]=4 314 B10R1.18 O=C(Cl)OC1CCOCC1 C77597 [0,0,0,1,0,1|2,0,0]=4 315 B10R1.18 O=C(O)CN1CCSCC1 AT25287 [0,0,0,1,0,1|2,0,0]=4 316 B10R1.18 O=C(O)CN1CCSCC1 W18219 [0,0,0,1,0,1|2,0,0]=4 317 B10R1.18 O=C(O)C[C@H]1CCCCN1 AC1465 [0,0,0,1,0,1|1,0,0]=3 318 B10R1.18 O=C(O)C[C@H]1CCCNC1 AC3441 [0,0,0,1,0,1|1,0,0]=3 319 B10R1.18 O=C(O)C[C@H]1CNCCN1 S11349 [0,0,0,1,0,1|2,0,0]=4 320 B10R1.18 O=C(O)C[C@H]1COCCN1 77662 [0,0,0,1,0,1|2,0,0]=4 321 B10R1.18 O=C(O)C[C@H]1COCCN1 77663 [0,0,0,1,0,1|2,0,0]=4 322 B10R1.18 O=C(O)C[C@H]1COCCN1 77664 [0,0,0,1,0,1|2,0,0]=4 323 B10R1.18 O=C(O)C[C@H]1COCCO1 39095 [0,0,0,1,0,1|2,0,0]=4 324 B10R1.54 CC(=O)O[C@H]1CC[C@H](N)C1 C93262 [0,0,0,1,0,1|2,0,0]=4 325 B10R1.54 CN1CC[C@H](CC(=O)O)C1 C77745 [0,0,0,1,0,1|1,0,0]=3 326 B10R1.54 O=C(O)CC1CCC(O)C1 AT26924 [0,0,0,1,0,1|1,0,0]=3 327 B10R1.54 O=C(O)CN1CC[C@H](O)C1 S11123 [0,0,0,1,0,1|2,0,0]=4 328 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 88864 [0,0,0,1,0,1|1,0,1]=4 329 B10R1.54 O=C(O)C[C@H]1C[C@H](O)CN1 FD10331 [0,0,0,1,0,1|2,0,0]=4 330 B10R1.61 CC1=C(C(=O)O)CCCO1 H11485 [0,0,0,1,0,1|1,0,1]=4 331 B10R1.61 CC1CCCCC1B(O)O D96319 [0,0,0,1,0,1|1,0,1]=4 332 B10R1.61 CC1CNCCC1C(=O)O 33568 [0,0,0,1,0,1|1,0,0]=3 333 B10R1.61 CN1CCNC[C@H]1C(=O)O C14452 [0,0,0,1,0,1|2,0,0]=4 334 B10R1.61 CN1CCNC[C@H]1C(=O)O F13276 [0,0,0,1,0,1|2,0,0]=4 335 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O 92901 [0,0,0,1,0,1|1,0,0]=3 336 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O AT11559 [0,0,0,1,0,1|1,0,0]=3 337 B10R1.61 C[C@@H]1NCCC[C@@H]1C(=O)O AT23064 [0,0,0,1,0,1|1,0,0]=3 338 B10R1.61 C[C@H]1CCCC=C1C(=O)O AT26703 [0,0,0,1,0,1|0,0,1]=3 339 B10R1.61 NC(=O)C1CCCCC1N AT21040 [0,0,0,1,0,1|2,0,0]=4 340 B10R1.61 NC1CCCCC1C(=O)O 71292 [0,0,0,1,0,1|1,0,0]=3 341 B10R1.61 N[C@H]1COCC[C@H]1C(=O)O AT19404 [0,0,0,1,0,1|2,0,0]=4 342 B10R1.28 C[Si](O)(O)C1CCCCC1 A11363 [0,1,0,1,0,0|0,1,1]=4 343 B10R1.28 NS(=O)(=O)C1CCCCC1 C74252 [0,1,0,1,0,0|1,0,1]=4 344 B10R1.28 O=S(=O)(F)C1CCCCC1 AT20708 [0,1,0,1,0,0|1,0,1]=4 345 B10R1.36 C=C[C@@H]1CC(C)(C)C(=O)O1 C11643 [0,1,0,1,0,0|0,0,2]=4 346 B10R1.36 CC1(C)C[C@H](CO)NC1=O AT19157 [0,1,0,1,0,0|2,0,0]=4 347 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 P11290 [0,1,0,1,0,0|2,0,0]=4 348 B10R1.23 CC(=O)N(C)[C@H]1CCNC1 P12900 [0,1,0,1,0,0|2,0,0]=4 349 B10R1.59 CN1C[C@@H](O)C[C@H]1C(=O)O FD21788 [0,1,0,1,0,0|2,0,0]=4 350 B10R1.59 CN1C[C@H](O)C[C@H]1C(=O)O C16643 [0,1,0,1,0,0|2,0,0]=4 351 B10R1.59 C[C@H]1C[C@@H](C(=O)O)N(C)C1 P15810 [0,1,0,1,0,0|1,0,0]=3 352 B10R1.291 CN1CCC[C@@]1(C)C(=O)O AT11331 [0,1,0,1,0,0|0,0,0]=2 353 B10R1.291 C[C@@]1(C(=O)O)CCNC1=O AT19086 [0,1,0,1,0,0|1,0,1]=4 354 B10R1.13 CC(=O)C1CCC(=O)CC1 F53160 [0,1,0,1,0,0|1,0,1]=4 355 B10R1.13 C[C@@H]1CC[C@H](C(=O)O)CN1 C90710 [0,1,0,1,0,0|0,0,0]=2 356 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CN1 F18655 [0,1,0,1,0,0|0,0,0]=2 357 B10R1.13 NC(=O)C1CCC(O)CC1 P18990 [0,1,0,1,0,0|1,0,0]=3 358 B10R1.13 NC(=O)N1CCC(N)CC1 AT22994 [0,1,0,1,0,0|2,0,0]=4 359 B10R1.13 NC(=O)N1CCC(O)CC1 AT22996 [0,1,0,1,0,0|2,0,0]=4 360 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 P10634 [0,1,0,1,0,0|1,0,1]=4 361 B10R1.349 CN(C)[C@H]1C[C@@H](C(=O)O)C1 W19428 [0,1,0,1,0,0|1,0,0]=3 362 B10R1.349 O=C(O)C1CC(C(F)F)C1 P21036 [0,1,0,1,0,0|1,0,0]=3 363 B10R1.359 CC1(C)CC[C@@H](C(=O)O)N1 AT23798 [0,1,0,1,0,0|1,0,0]=3 364 B10R1.359 CC1(C)CN[C@H](C(=O)O)C1 AT21812 [0,1,0,1,0,0|1,0,0]=3 365 B10R1.359 CC1(C)CN[C@H](C(=O)O)C1 P11128 [0,1,0,1,0,0|1,0,0]=3 366 B10R1.359 CC1(C)OC[C@@H](C(=O)O)O1 60071 [0,1,0,1,0,0|2,0,0]=4 367 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 P13610 [0,1,0,1,0,0|2,0,0]=4 368 B10R1.470 C[C@@]1(C(=O)O)CNC(=O)C1 AT19127 [0,1,0,1,0,0|1,0,1]=4 369 B10R1.470 C[C@@]1(C(N)=O)C[C@@H](O)CN1 P12549 [0,1,0,1,0,0|2,0,0]=4 370 B10R1.14 COC(=O)C1CCC(N)C1 F31402 [0,1,0,1,0,0|1,0,0]=3 371 B10R1.14 COC(=O)N1CC[C@H](O)C1 AT22495 [0,1,0,1,0,0|2,0,0]=4 372 B10R1.14 COC(=O)[C@@H]1C[C@H](N)CO1 F50103 [0,1,0,1,0,0|2,0,0]=4 373 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P17296 [0,1,0,1,0,0|1,0,0]=3 374 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 S10609 [0,1,0,1,0,0|1,0,0]=3 375 B10R1.15 CNC(=O)[C@@H]1CCCCN1 C77819 [0,1,0,1,0,0|2,0,0]=4 376 B10R1.15 CNC(=O)[C@@H]1CCCCN1 C78037 [0,1,0,1,0,0|2,0,0]=4 377 B10R1.15 CNC(=O)[C@@H]1CCCCN1 C78113 [0,1,0,1,0,0|2,0,0]=4 378 B10R1.15 CNC(=O)[C@H]1CCCNC1 AC6269 [0,1,0,1,0,0|2,0,0]=4 379 B10R1.15 COC(=O)[C@@H]1CNCCN1 64289 [0,1,0,1,0,0|2,0,0]=4 380 B10R1.15 COC(=O)[C@@H]1CNCCN1 F16118 [0,1,0,1,0,0|2,0,0]=4 381 B10R1.15 COC(=O)[C@@H]1CNCCO1 F19021 [0,1,0,1,0,0|2,0,0]=4 382 B10R1.15 COC(=O)[C@@H]1CNCCO1 F19022 [0,1,0,1,0,0|2,0,0]=4 383 B10R1.15 COC(=O)[C@@H]1COCCN1 D76308 [0,1,0,1,0,0|2,0,0]=4 384 B10R1.15 N=C(NO)C1CCCCC1 91925 [0,1,0,1,0,0|1,0,0]=3 385 B10R1.15 NCC(=O)C1CCCCC1 P14033 [0,1,0,1,0,0|1,0,0]=3 386 B10R1.15 N[C@@H](CO)C1CCCCC1 N11205 [0,1,0,1,0,0|1,0,1]=4 387 B10R1.15 O=C(CO)N1CCNCC1 AT23104 [0,1,0,1,0,0|2,0,0]=4 388 B10R1.19 N#C[C@H]1CCCCCC1=O AC9253 [0,1,0,1,0,0|1,0,1]=4 389 B10R1.29 CCCC[C@H]1CCCC1=O O10708 [0,1,0,1,0,0|1,0,0]=3 390 B10R1.29 CNCCN1CCOC1=O AT18746 [0,1,0,1,0,0|2,0,0]=4 391 B10R1.29 COCC[C@H]1CCNC1=O AT19072 [0,1,0,1,0,0|2,0,0]=4 392 B10R1.29 NCCCN1CCOC1=O AT18744 [0,1,0,1,0,0|2,0,0]=4 393 B10R1.29 O=C1OCCN1CCCO AT18745 [0,1,0,1,0,0|2,0,0]=4 394 B10R1.169 COC(=O)C1CC(CBr)C1 C16646 [0,1,0,1,0,0|1,0,0]=3 395 B10R1.176 CN1CC[C@H](CN)CC1=O P12007 [0,1,0,1,0,0|2,0,0]=4 396 B10R1.182 COC(=O)C(N)C1COC1 38613 [0,1,0,1,0,0|2,0,0]=4 397 B10R1.182 COC(=O)[C@@H](N)C1COC1 F53708 [0,1,0,1,0,0|2,0,0]=4 398 B10R1.411 COC(=O)C1(C)CCCC1 57441 [0,1,0,1,0,0|0,0,0]=2 399 B10R1.411 COC(=O)[C@@]1(C)CCNC1 F13593 [0,1,0,1,0,0|1,0,0]=3 400 B10R1.411 COC(=O)[C@@]1(C)CCOC1 P13849 [0,1,0,1,0,0|1,0,0]=3 401 B10R1.411 COC(=O)[C@]1(C)CCCN1 F11555 [0,1,0,1,0,0|1,0,0]=3 402 B10R1.411 COC(=O)[C@]1(C)CCCN1 F20252 [0,1,0,1,0,0|1,0,0]=3 403 B10R1.411 COC(=O)[C@]1(O)CCNC1 P14870 [0,1,0,1,0,0|2,0,0]=4 404 B10R1.31 CC(=O)N1CC[C@H](CO)C1 P19907 [0,1,0,1,0,0|2,0,0]=4 405 B10R1.194 CC1=C(C(=O)O)CC[C@@H]1O 97942 [0,1,0,1,0,0|1,0,1]=4 406 B10R1.348 O=C(O)[C@@H]1CCCCCN1 98384 [0,1,0,1,0,0|0,0,0]=2 407 B10R1.348 O=C(O)[C@H]1CCCNCC1 98343 [0,1,0,1,0,0|0,0,0]=2 408 B10R1.437 COCCC1(C(=O)O)CC1 AC4197 [0,1,0,1,0,0|1,0,0]=3 409 B10R1.477 CN[C@@]1(C(=O)O)CCOC1 33411 [0,1,0,1,0,0|1,0,0]=3 410 B10R1.477 N#CC1(C(=O)O)CCCC1 71630 [0,1,0,1,0,0|0,0,1]=3 411 B10R1.477 O=C(O)[C@]1(CO)CCCO1 C15808 [0,1,0,1,0,0|1,0,0]=3 412 B10R1.113 CC(=O)N1CCC[C@H](N)C1 C14349 [0,1,0,1,0,0|2,0,0]=4 413 B10R1.113 CC(=O)N1CCC[C@H](O)C1 AB7340 [0,1,0,1,0,0|2,0,0]=4 414 B10R1.113 CC(=O)N1CCC[C@H](O)C1 C16296 [0,1,0,1,0,0|2,0,0]=4 415 B10R1.113 CC(=O)N1CCC[C@H](O)C1 F17732 [0,1,0,1,0,0|2,0,0]=4 416 B10R1.113 CC1CC(C(=O)O)CCN1 88368 [0,1,0,1,0,0|0,0,0]=2 417 B10R1.113 CN1CCN[C@H](C(=O)O)C1 AB2925 [0,1,0,1,0,0|1,0,0]=3 418 B10R1.113 CN1CCO[C@H](C(=O)O)C1 F17615 [0,1,0,1,0,0|1,0,0]=3 419 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)O1 F18898 [0,1,0,1,0,0|1,0,0]=3 420 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)O1 F18902 [0,1,0,1,0,0|1,0,0]=3 421 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P11798 [0,1,0,1,0,0|0,0,0]=2 422 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 70893 [0,1,0,1,0,0|1,0,1]=4 423 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 C14251 [0,1,0,1,0,0|1,0,1]=4 424 B10R1.408 COC(=O)[C@H]1C[C@@H]1C(=O)O P19172 [0,1,0,1,0,0|1,0,1]=4 425 B10R1.131 CN1C[C@@H](CCN)CC1=O AT19063 [0,1,0,1,0,0|2,0,0]=4 426 B10R1.262 CCO[C@H]1CC(=O)C1(C)C P12404 [0,1,0,1,0,0|2,0,0]=4 427 B10R1.363 CC(=O)C1(C)CCNCC1 E71837 [0,1,0,1,0,0|1,0,0]=3 428 B10R1.363 CC1(C(N)=O)CCNCC1 F13744 [0,1,0,1,0,0|1,0,0]=3 429 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 29585 [0,1,0,1,0,0|0,0,0]=2 430 B10R1.363 NC1(C(=O)O)CCCCC1 I11975 [0,1,0,1,0,0|0,0,0]=2 431 B10R1.363 NC1(C(=O)O)CCSCC1 F30382 [0,1,0,1,0,0|1,0,0]=3 432 B10R1.363 O=C(O)C1(F)CCNCC1 D75180 [0,1,0,1,0,0|1,0,0]=3 433 B10R1.363 O=C(O)C1(O)CCNCC1 C80061 [0,1,0,1,0,0|1,0,0]=3 434 B10R1.363 O=C(O)[C@]1(F)CCCNC1 AT26792 [0,1,0,1,0,0|1,0,0]=3 435 B10R1.363 O=C(O)[C@]1(O)CCCNC1 F53431 [0,1,0,1,0,0|1,0,0]=3 436 B10R1.363 O=C(O)[C@]1(O)CCCNC1 F53597 [0,1,0,1,0,0|1,0,0]=3 437 B10R1.363 [2H]C1(C(=O)O)CCCCC1 D99315 [0,1,0,1,0,0|0,0,0]=2 438 B10R2.178 O=C1CCC2CCC1C2 AT22812 [0,0,0,2,0,0|1,0,0]=3 439 B10R2.320 O=C1NC2CCCCC12 F18199 [0,0,0,2,0,0|1,0,0]=3 440 B10R2.351 NC(=O)[C@@H]1[C@H]2CNC[C@H]21 P16706 [0,0,0,2,0,0|2,0,0]=4 441 B10R2.351 O=C(O)[C@@H]1[C@H]2CNC[C@H]21 P11053 [0,0,0,2,0,0|1,0,0]=3 442 B10R2.351 O=C(O)[C@H]1[C@H]2CNC[C@H]21 P14891 [0,0,0,2,0,0|1,0,0]=3 443 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 P10629 [0,0,0,2,0,0|1,0,0]=3 444 B10R2.348 O=C(O)C12CC(CN1)C2 P10600 [0,0,0,2,0,0|1,0,0]=3 445 B10R2.3 O=C1CCC12CCCC2 84855 [0,0,0,2,0,0|1,0,0]=3 446 B10R2.3 O[C@H]1CCC12CCCC2 84854 [0,0,0,2,0,0|1,0,1]=4 447 B10R2.638 O=C(O)[C@H]1CC12CNC2 AT12846 [0,0,0,2,0,0|1,0,0]=3 448 B10R2.43 O=C1OC(=O)C2CC1C2 54028 [0,0,0,2,0,0|1,0,1]=4