0 B6R0.4 CC(=O)CCCN C77428 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.4 CCNCC(F)F AT23781 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.4 CNCCC(F)F AT22541 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.4 N#C\C=C\C(=O)O AC9289 [0,0,0,0,0,0|1,0,3]=4 4 B6R0.4 NCC#CC(=O)O AT20731 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.4 NCCCC(F)F D75977 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.4 NC\C=C/C(=O)O AT20734 [0,0,0,0,0,0|1,0,2]=3 7 B6R0.4 NC\C=C\C(=O)O AT20733 [0,0,0,0,0,0|1,0,2]=3 8 B6R0.4 O=C(O)C#CCCl D85992 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.1 CCSC(=S)[S-] 78627 [1,0,0,0,0,0|1,2,0]=4 10 B5R0.1 CNC[C@H](C)O C77457 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.1 COCC(=N)N D87837 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.1 C[C@H](O)CCN D77178 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 C[S@](=O)CCN AT24515 [1,0,0,0,0,0|3,0,0]=4 14 B5R0.2 C=CCNOC AT24925 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.2 CCNCCS AT25561 [1,0,0,0,0,0|1,1,1]=4 16 B5R0.2 CCOCC=O AT18655 [1,0,0,0,0,0|1,0,0]=2 17 B5R0.2 CNCCCF AT22549 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.2 NCCCCF D75976 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.2 NCCCCS AT25915 [1,0,0,0,0,0|1,1,1]=4 20 B5R0.2 O=CCCCBr AT24507 [1,0,0,0,0,0|1,0,0]=2 21 B5R0.2 [C-]#[N+]CCSC AT25542 [1,0,0,0,0,0|3,0,0]=4 22 B7R0.2 CN[C@@H](C)CC(=O)O D72538 [0,1,0,0,0,0|1,0,0]=2 23 B7R0.2 NC[C@@H](F)CC(=O)O AT24734 [0,1,0,0,0,0|1,0,0]=2 24 B7R0.2 N[C@H](CF)CC(=O)O AT24444 [0,1,0,0,0,0|1,0,0]=2 25 B7R0.2 N[C@H](CF)CC(=O)O AT24502 [0,1,0,0,0,0|1,0,0]=2 26 B7R0.2 N[C@H](CF)CC(=O)O AT24503 [0,1,0,0,0,0|1,0,0]=2 27 B7R0.3 C#CCOC(=O)NO AT18211 [0,1,0,0,0,0|1,0,2]=4 28 B7R0.3 CCONC(=O)CO AT24923 [0,1,0,0,0,0|2,0,0]=3 29 B7R0.3 COC(=O)C#CCN AT20732 [0,1,0,0,0,0|1,0,2]=4 30 B7R0.3 C\C=C(/C)CCCC T72329 [0,1,0,0,0,0|2,0,0]=3 31 B7R0.3 O=C(CO)NCCO D86391 [0,1,0,0,0,0|2,0,0]=3 32 B7R0.4 CCCCC[13C](=O)O 41454 [0,1,0,0,0,0|0,0,0]=1 33 B7R0.4 C[S@](=O)CCCCN AT23964 [0,1,0,0,0,0|2,0,0]=3 34 B7R0.4 NCCCCC(N)=O D77059 [0,1,0,0,0,0|1,0,0]=2 35 B7R0.4 O=C(O)COCCBr C70239 [0,1,0,0,0,0|1,0,0]=2 36 B7R0.4 O=C(O)COCCF AT25496 [0,1,0,0,0,0|1,0,0]=2 37 B7R0.5 C\C=C\[C@H](C)C(=O)O AC9353 [0,1,0,0,0,0|0,0,2]=3 38 B7R0.5 NCC[C@H](F)C(=O)O AT24736 [0,1,0,0,0,0|1,0,0]=2 39 B7R0.5 NCC[C@H](O)C(=O)O AT18032 [0,1,0,0,0,0|1,0,0]=2 40 B7R0.6 C[C@H](N)CCC(=O)O D75535 [0,1,0,0,0,0|0,0,0]=1 41 B7R0.6 O=C(O)CCB(O)O E72861 [0,1,0,0,0,0|2,0,0]=3 42 B7R0.6 O=C(O)CCC(F)F P19183 [0,1,0,0,0,0|1,0,0]=2 43 B7R0.6 O=C(O)CSC(F)F AC9774 [0,1,0,0,0,0|2,0,0]=3 44 B7R0.6 O=C(O)\C=C\C(F)F AT12711 [0,1,0,0,0,0|1,0,2]=4 45 B7R0.6 O=C(O)\C=C\C(F)F D74796 [0,1,0,0,0,0|1,0,2]=4 46 B7R0.8 CNCCS(=O)(=O)F AT24778 [0,1,0,0,0,0|2,0,1]=4 47 B7R0.8 CP(C)(=O)CCCN AT13346 [0,1,0,0,0,0|3,0,0]=4 48 B7R0.8 CP(C)(=O)CCCN AT13377 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.8 CSCCS(N)(=O)=O AT20773 [0,1,0,0,0,0|2,0,1]=4 50 B7R0.8 [2H]C([2H])(Br)CCCC D98640 [0,1,0,0,0,0|2,0,1]=4 51 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13012 [0,0,0,1,0,0|2,0,1]=4 52 B7R1.2 C[C@H]1CC(=O)CN1 AT25616 [0,0,0,1,0,0|2,0,0]=3 53 B7R1.2 C[C@H]1CC(=O)CN1 AT25617 [0,0,0,1,0,0|2,0,0]=3 54 B7R1.2 C[C@H]1CC(=O)CN1 AT25618 [0,0,0,1,0,0|2,0,0]=3 55 B7R1.2 C[C@H]1CC(=O)CN1 C92326 [0,0,0,1,0,0|2,0,0]=3 56 B7R1.2 C[C@H]1CC(=O)CN1 C92327 [0,0,0,1,0,0|2,0,0]=3 57 B7R1.2 C[C@H]1CC[C@H](C)N1 32834 [0,0,0,1,0,0|2,0,1]=4 58 B7R1.2 C[C@H]1C[C@H](O)CN1 F13847 [0,0,0,1,0,0|2,0,1]=4 59 B7R1.2 N[C@@H]1CNC(=O)C1 D72849 [0,0,0,1,0,0|3,0,0]=4 60 B7R1.3 C=C1CCNCC1 D77655 [0,0,0,1,0,0|3,0,0]=4 61 B7R1.3 N[C@@H]1CCCCN1 F13375 [0,0,0,1,0,0|2,0,1]=4 62 B7R1.5 CCC[C@@H]1ON1C C11697 [0,0,0,1,0,0|2,0,0]=3 63 B7R1.10 CN[C@H]1C[C@H](O)C1 P15672 [0,0,0,1,0,0|2,0,1]=4 64 B7R1.10 CO[C@H]1CC(=O)N1 D72811 [0,0,0,1,0,0|2,0,0]=3 65 B7R1.10 CSC1CC(=O)C1 AT20150 [0,0,0,1,0,0|2,0,0]=3 66 B7R1.10 CSC1CC(O)C1 AT20178 [0,0,0,1,0,0|2,0,1]=4 67 B7R1.10 CS[C@H]1C[C@@H](O)C1 AT20156 [0,0,0,1,0,0|2,0,1]=4 68 B7R1.10 O=C1C[C@H](CBr)O1 AC5920 [0,0,0,1,0,0|1,0,0]=2 69 B7R1.12 CC1CC1B(O)O AT22555 [0,0,0,1,0,0|1,0,1]=3 70 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12316 [0,0,0,1,0,0|0,0,0]=1 71 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12373 [0,0,0,1,0,0|0,0,0]=1 72 B7R1.12 O=C(O)[C@@H]1C[C@@H]1Br E73137 [0,0,0,1,0,0|1,0,0]=2 73 B7R1.12 O=C(O)[C@H]1C[C@@H]1I CS3435 [0,0,0,1,0,0|1,0,0]=2 74 B7R1.17 C[C@]1(O)CC[C@@H]1N AT11409 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.18 CC(=O)C1CNC1 C14559 [0,0,0,1,0,0|2,0,0]=3 76 B7R1.18 C[C@H](O)C1CNC1 E73194 [0,0,0,1,0,0|2,0,1]=4 77 B7R1.18 NC(=O)N1CCC1 D77052 [0,0,0,1,0,0|2,0,0]=3 78 B7R1.18 NC(=O)[C@@H]1CCN1 AT22807 [0,0,0,1,0,0|2,0,0]=3 79 B7R1.18 O=C(Cl)C1COC1 AT24224 [0,0,0,1,0,0|2,0,0]=3 80 B7R1.18 O=[S@](O)C1CCC1 AT20162 [0,0,0,1,0,0|1,0,0]=2 81 B7R1.20 NC(=O)CC1CC1 D72924 [0,0,0,1,0,0|1,0,0]=2 82 B7R1.20 O=C(Cl)OC1CC1 C77415 [0,0,0,1,0,0|2,0,0]=3 83 B7R1.20 O=C(O)C=C1CC1 AT21198 [0,0,0,1,0,0|0,0,2]=3 84 B6R0.1 COCC(=O)CBr AT12825 [1,1,0,0,0,0|2,0,0]=4 85 B6R0.1 NCCC(=O)NO AT14832 [1,1,0,0,0,0|1,0,0]=3 86 B6R0.2 C=C(I)CC(=O)O E73427 [1,1,0,0,0,0|0,0,2]=4 87 B6R0.2 CC(N)CC(C)O AT23544 [1,1,0,0,0,0|1,0,1]=4 88 B6R0.3 C#C[C@@H](N)C(=O)O F30985 [1,1,0,0,0,0|0,0,2]=4 89 B6R0.3 C#C[C@@H](N)C(=O)O F30986 [1,1,0,0,0,0|0,0,2]=4 90 B6R0.3 C#C[C@@H](N)C(=O)O F30987 [1,1,0,0,0,0|0,0,2]=4 91 B6R0.3 C#C[C@@H](O)C(=O)O T72410 [1,1,0,0,0,0|0,0,2]=4 92 B6R0.3 NC[C@H](F)C(=O)O 94834 [1,1,0,0,0,0|1,0,0]=3 93 B6R0.3 NC[C@H](F)C(=O)O 94835 [1,1,0,0,0,0|1,0,0]=3 94 B6R0.3 N[C@@H](CF)C(=O)O AT23058 [1,1,0,0,0,0|1,0,0]=3 95 B6R0.3 N[C@@H](CF)C(=O)O AT23059 [1,1,0,0,0,0|1,0,0]=3 96 B6R0.3 N[C@@H](CF)C(=O)O FD21128 [1,1,0,0,0,0|1,0,0]=3 97 B6R0.5 [2H]C([2H])(O)CCC D98200 [1,1,0,0,0,0|1,0,1]=4 98 B6R0.6 CSCCN=C=O AT25543 [1,1,0,0,0,0|1,0,1]=4 99 B6R0.6 NNCCCCO AB9420 [1,1,0,0,0,0|1,0,1]=4 100 B6R0.6 O=CNCCCF AT22548 [1,1,0,0,0,0|1,0,0]=3 101 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O D76826 [0,2,0,0,0,0|0,0,0]=2 102 B8R0.2 CC[C@H](C)[C@H]([15NH2])C(=O)O 41457 [0,2,0,0,0,0|0,0,0]=2 103 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O AT10680 [0,2,0,0,0,0|1,0,0]=3 104 B8R0.5 NCC[C@H](O)CC(=O)O W16189 [0,2,0,0,0,0|0,0,0]=2 105 B8R0.19 COC(=O)CC(=O)CF AT24447 [0,2,0,0,0,0|1,0,1]=4 106 B8R0.19 COC(=O)C[C@H](C)CBr AT23326 [0,2,0,0,0,0|1,0,0]=3 107 B8R0.19 COC(=O)C[C@H](C)CBr AT23327 [0,2,0,0,0,0|1,0,0]=3 108 B8R0.23 CC(C)C[C@H](Br)C(=O)O AT22422 [0,2,0,0,0,0|0,0,0]=2 109 B8R0.23 N[C@@H](CB(O)O)C(=O)O AT22237 [0,2,0,0,0,0|2,0,0]=4 110 B8R0.23 N[C@@H](CC(=O)O)C(F)F AT24419 [0,2,0,0,0,0|1,0,0]=3 111 B8R0.23 N[C@@H](CC(=O)O)C(F)F AT24420 [0,2,0,0,0,0|1,0,0]=3 112 B8R0.23 N[C@@H](CC(=O)O)C(F)F AT24421 [0,2,0,0,0,0|1,0,0]=3 113 B8R0.23 N[C@@H](CC(F)F)C(=O)O AT19559 [0,2,0,0,0,0|1,0,0]=3 114 B8R0.23 N[C@@H](CC(F)F)C(=O)O AT19560 [0,2,0,0,0,0|1,0,0]=3 115 B8R0.23 O=C(O)C[C@H](S)C(=O)O I11663 [0,2,0,0,0,0|1,0,1]=4 116 B8R0.23 O=C(O)[C@@H](O)C[N+](=O)[O-] 50048 [0,2,0,0,0,0|2,0,0]=4 117 B8R0.34 NCC(F)(F)CC(=O)O E72810 [0,2,0,0,0,0|1,0,0]=3 118 B8R0.1 CCCC[C@H](N)CCO AT14318 [0,2,0,0,0,0|1,0,1]=4 119 B8R0.1 NOCC(=O)NCCO AT10370 [0,2,0,0,0,0|2,0,0]=4 120 B8R0.3 C#CC[C@H](N)C(=O)OC AT23617 [0,2,0,0,0,0|0,0,2]=4 121 B8R0.3 COC(=O)[C@@H](C)CCBr AT23330 [0,2,0,0,0,0|1,0,0]=3 122 B8R0.6 CCCCOC(=O)C=O 39366 [0,2,0,0,0,0|0,0,1]=3 123 B8R0.6 COC(=O)C#CCCO AT15754 [0,2,0,0,0,0|0,0,2]=4 124 B8R0.8 C#CCC[C@H](N)C(=O)O C70033 [0,2,0,0,0,0|0,0,1]=3 125 B8R0.8 CCCCC(=O)C(=O)[O-] D88060 [0,2,0,0,0,0|0,0,1]=3 126 B8R0.8 CSCC[C@H](N)C(N)=O F10892 [0,2,0,0,0,0|1,0,0]=3 127 B8R0.8 NCCC[C@H](O)C(=O)O D76509 [0,2,0,0,0,0|0,0,0]=2 128 B8R0.9 C=C[C@@H](N)CCC(=O)O F51879 [0,2,0,0,0,0|0,0,1]=3 129 B8R0.9 COC(=O)CC[C@H](C)Br AT23331 [0,2,0,0,0,0|0,0,0]=2 130 B8R0.9 COC(=O)\C=C\C(C)C D77192 [0,2,0,0,0,0|0,0,2]=4 131 B8R0.9 NC[C@@H](N)CCC(=O)O AT25327 [0,2,0,0,0,0|0,0,0]=2 132 B8R0.25 CCCC[C@](C)(N)CO AT16769 [0,2,0,0,0,0|1,0,1]=4 133 B8R0.25 CCCC[C@](C)(N)CO AT16779 [0,2,0,0,0,0|1,0,1]=4 134 B8R0.7 CC(=O)CCCN=[N+]=[N-] AC8739 [0,2,0,0,0,0|2,0,0]=4 135 B8R0.7 CC(=O)NCCCON D77273 [0,2,0,0,0,0|2,0,0]=4 136 B8R0.21 CCCCNS(N)(=O)=O D76849 [0,2,0,0,0,0|1,0,1]=4 137 B8R0.21 O=P(O)(O)CCCCBr C70021 [0,2,0,0,0,0|1,0,0]=3 138 B8R0.28 O=C(O)COCC(F)F AT25472 [0,2,0,0,0,0|1,0,0]=3 139 B8R0.12 CCC[C@](C)(N)C(=O)O AT19790 [0,2,0,0,0,0|0,0,0]=2 140 B8R0.29 CC(F)(F)CCC(=O)O D86382 [0,2,0,0,0,0|0,0,0]=2 141 B8R0.29 CS(=O)(=O)SCC(=O)O AT19140 [0,2,0,0,0,0|2,0,0]=4 142 B8R0.29 [2H]C([2H])(C)CCC(=O)O D97943 [0,2,0,0,0,0|0,0,0]=2 143 B8R0.29 [2H]C([2H])(N)CCC(=O)O D98894 [0,2,0,0,0,0|1,0,0]=3 144 B8R0.29 [2H]C([2H])([2H])CCC(=O)O D98938 [0,2,0,0,0,0|1,0,0]=3 145 B6R1.5 C[C@H]1C[C@@H](O)C1 P20283 [1,0,0,1,0,0|1,0,1]=4 146 B6R1.5 O=C1C[C@H](F)N1 D72810 [1,0,0,1,0,0|2,0,0]=4 147 B6R1.5 OC1=C[C@@H](F)C1 F18634 [1,0,0,1,0,0|2,0,0]=4 148 B6R1.11 O=[N+]([O-])C1CC1 AT19034 [1,0,0,1,0,0|1,0,1]=4 149 B6R1.4 CC1CCC1N AT10478 [1,0,0,1,0,0|1,0,1]=4 150 B6R1.4 CC1CCC1O AC8042 [1,0,0,1,0,0|0,0,1]=3 151 B6R1.4 NN1CCC1=O 33382 [1,0,0,1,0,0|2,0,0]=4 152 B6R1.4 N[C@@H]1CC[C@@H]1O P20950 [1,0,0,1,0,0|1,0,1]=4 153 B6R1.4 N[C@@H]1CC[C@@H]1O P20953 [1,0,0,1,0,0|1,0,1]=4 154 B6R1.4 N[C@H]1CCC1=O AT24523 [1,0,0,1,0,0|1,0,0]=3 155 B6R1.4 N[C@H]1CNC1=O P16451 [1,0,0,1,0,0|2,0,0]=4 156 B6R1.4 N[C@H]1CNC1=O P18336 [1,0,0,1,0,0|2,0,0]=4 157 B6R1.4 O=C1CC[C@@H]1O 94997 [1,0,0,1,0,0|1,0,0]=3 158 B6R1.4 O=C1NC[C@@H]1O D77141 [1,0,0,1,0,0|2,0,0]=4 159 B6R1.6 C=CC1CNC1 AT25649 [1,0,0,1,0,0|2,0,0]=4 160 B6R1.6 NOC1CCC1 97654 [1,0,0,1,0,0|2,0,0]=4 161 B6R1.6 O=CC1CSC1 AT24592 [1,0,0,1,0,0|1,0,0]=3 162 B6R1.6 OCC1CSC1 P14098 [1,0,0,1,0,0|1,0,1]=4 163 B8R1.1 CO[C@@H]1C=CC(=O)C1 AT12708 [0,1,0,1,0,0|2,0,0]=4 164 B8R1.1 CO[C@@H]1CNC(=O)C1 AT19116 [0,1,0,1,0,0|2,0,0]=4 165 B8R1.1 C[C@@H]1CC[C@H](CO)N1 W10038 [0,1,0,1,0,0|1,0,1]=4 166 B8R1.1 N#C[C@@H]1CCC(=O)N1 D72817 [0,1,0,1,0,0|1,0,1]=4 167 B8R1.1 NCC1CCC(O)C1 D76686 [0,1,0,1,0,0|1,0,1]=4 168 B8R1.1 NC[C@@H]1CNC(=O)C1 33527 [0,1,0,1,0,0|2,0,0]=4 169 B8R1.1 NC[C@H]1CNC(=O)O1 P14474 [0,1,0,1,0,0|1,0,0]=3 170 B8R1.1 NC[C@H]1COC(=O)N1 P14076 [0,1,0,1,0,0|2,0,0]=4 171 B8R1.1 O=C1C=C[C@H](CBr)O1 AC6821 [0,1,0,1,0,0|0,0,2]=4 172 B8R1.1 O=C1CC[C@H](CBr)N1 W15281 [0,1,0,1,0,0|1,0,0]=3 173 B8R1.1 O=C1CC[C@H](CCl)C1 AT22684 [0,1,0,1,0,0|1,0,0]=3 174 B8R1.1 O=C1CC[C@H](CI)C1 AT22686 [0,1,0,1,0,0|1,0,0]=3 175 B8R1.1 O=C1C[C@H](CI)CN1 E72920 [0,1,0,1,0,0|2,0,0]=4 176 B8R1.1 OCC1CCC(O)C1 D76829 [0,1,0,1,0,0|1,0,1]=4 177 B8R1.4 C[C@@H]1CNC[C@@H](O)C1 AT13826 [0,1,0,1,0,0|1,0,1]=4 178 B8R1.4 C[C@H]1CC(=O)CCO1 P11762 [0,1,0,1,0,0|1,0,0]=3 179 B8R1.4 C[C@H]1C[C@@H](N)CCO1 D79497 [0,1,0,1,0,0|1,0,1]=4 180 B8R1.4 N[C@@H]1CCC[C@H](O)C1 W10001 [0,1,0,1,0,0|1,0,1]=4 181 B8R1.4 N[C@H]1CCC[C@H](O)C1 W10002 [0,1,0,1,0,0|1,0,1]=4 182 B8R1.18 C[C@@H]1C[C@H](O)C(=O)N1 AT26252 [0,1,0,1,0,0|1,0,0]=3 183 B8R1.18 C[C@@H]1NC(=O)CC1=O D72747 [0,1,0,1,0,0|1,0,1]=4 184 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90246 [0,1,0,1,0,0|1,0,0]=3 185 B8R1.18 N[C@H]1CC(=O)OC1=O AT25837 [0,1,0,1,0,0|1,0,1]=4 186 B8R1.20 CC1CC1CC(=O)O E72880 [0,1,0,1,0,0|0,0,0]=2 187 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O 94393 [0,1,0,1,0,0|1,0,0]=3 188 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O 94399 [0,1,0,1,0,0|1,0,0]=3 189 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O 94401 [0,1,0,1,0,0|1,0,0]=3 190 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P12531 [0,1,0,1,0,0|0,0,0]=2 191 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P14183 [0,1,0,1,0,0|0,0,0]=2 192 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P12530 [0,1,0,1,0,0|0,0,0]=2 193 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P14693 [0,1,0,1,0,0|0,0,0]=2 194 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O 94392 [0,1,0,1,0,0|1,0,0]=3 195 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O 94395 [0,1,0,1,0,0|1,0,0]=3 196 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O 94397 [0,1,0,1,0,0|1,0,0]=3 197 B8R1.31 O=C(O)C1CCC1O D74978 [0,1,0,1,0,0|0,0,0]=2 198 B8R1.31 O=C(O)[C@@H]1CCC1=O 54673 [0,1,0,1,0,0|0,0,1]=3 199 B8R1.31 O=C(O)[C@@H]1CNC1=O D72827 [0,1,0,1,0,0|1,0,1]=4 200 B8R1.34 O=C(O)CN1CCC1 D96863 [0,1,0,1,0,0|0,0,0]=2 201 B8R1.34 O=C(O)C[C@H]1CCN1 P19180 [0,1,0,1,0,0|0,0,0]=2 202 B8R1.40 COC(=O)C=C1CC1 AT21192 [0,1,0,1,0,0|0,0,2]=4 203 B8R1.40 NCC(=O)NC1CC1 D76973 [0,1,0,1,0,0|2,0,0]=4 204 B8R1.42 CC(=O)OC1(C)CC1 D96854 [0,1,0,1,0,0|2,0,0]=4 205 B8R1.42 CC1(CC(=O)O)CC1 D86405 [0,1,0,1,0,0|0,0,0]=2 206 B8R1.42 CC1(CC(=O)O)N=N1 AT14501 [0,1,0,1,0,0|2,0,0]=4 207 B8R1.42 NC1(CC(=O)O)CC1 F30393 [0,1,0,1,0,0|0,0,0]=2 208 B8R1.43 C#CC1CC1C(=O)O D73586 [0,1,0,1,0,0|0,0,1]=3 209 B8R1.43 C#C[C@H]1C[C@H]1C(=O)O AT22711 [0,1,0,1,0,0|0,0,1]=3 210 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT12376 [0,1,0,1,0,0|0,0,0]=2 211 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT12377 [0,1,0,1,0,0|0,0,0]=2 212 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT23983 [0,1,0,1,0,0|0,0,0]=2 213 B8R1.43 COC1CC1C(=O)O C77471 [0,1,0,1,0,0|0,0,0]=2 214 B8R1.43 NCC1CC1C(=O)O P17932 [0,1,0,1,0,0|0,0,0]=2 215 B8R1.43 NC[C@@H]1C[C@@H]1C(=O)O AT20753 [0,1,0,1,0,0|0,0,0]=2 216 B8R1.43 NC[C@H]1C[C@@H]1C(=O)O AT20752 [0,1,0,1,0,0|0,0,0]=2 217 B8R1.43 O=C(O)C1CC1CO D75978 [0,1,0,1,0,0|0,0,0]=2 218 B8R1.43 O=C(O)[C@H]1C[C@@H]1CF AT23907 [0,1,0,1,0,0|0,0,0]=2 219 B8R1.43 O=C(O)[C@H]1C[C@@H]1CF AT23914 [0,1,0,1,0,0|0,0,0]=2 220 B8R1.43 O=C(O)[C@H]1C[C@@H]1CF AT23915 [0,1,0,1,0,0|0,0,0]=2 221 B8R1.43 O=C(O)[C@H]1C[C@H]1CF AT23906 [0,1,0,1,0,0|0,0,0]=2 222 B8R1.43 O=C(O)[C@H]1C[C@H]1CF AT23912 [0,1,0,1,0,0|0,0,0]=2 223 B8R1.43 O=C(O)[C@H]1C[C@H]1CF AT23913 [0,1,0,1,0,0|0,0,0]=2 224 B8R1.51 CC1(C)CSC(=O)N1 AT20223 [0,1,0,1,0,0|2,0,0]=4 225 B8R1.51 CC1(C)NCC(=O)N1 F31287 [0,1,0,1,0,0|2,0,0]=4 226 B8R1.51 CC1(O)CCC(N)C1 P13560 [0,1,0,1,0,0|1,0,1]=4 227 B8R1.51 CC1(O)CCC(N)C1 P18531 [0,1,0,1,0,0|1,0,1]=4 228 B8R1.51 C[C@H]1CCS(=O)(=O)N1 AT12410 [0,1,0,1,0,0|1,0,1]=4 229 B8R1.51 O=C1CCC(F)(F)C1 C90742 [0,1,0,1,0,0|2,0,0]=4 230 B8R1.2 C#C[C@@H]1CCCCO1 AT10034 [0,1,0,1,0,0|1,0,1]=4 231 B8R1.2 C#C[C@@H]1CCCCO1 AT10035 [0,1,0,1,0,0|1,0,1]=4 232 B8R1.2 C#C[C@@H]1CCCCO1 AT10036 [0,1,0,1,0,0|1,0,1]=4 233 B8R1.2 OCC1=CCCOC1 AT26645 [0,1,0,1,0,0|2,0,0]=4 234 B8R1.3 C=C1CCC(O)CC1 AT15311 [0,1,0,1,0,0|2,0,0]=4 235 B8R1.3 CN1C=CC(=O)CC1 D73438 [0,1,0,1,0,0|2,0,0]=4 236 B8R1.3 C[C@@H]1CC[C@H](O)CN1 W10035 [0,1,0,1,0,0|1,0,1]=4 237 B8R1.3 C[C@H]1CC[C@H](O)CN1 73247 [0,1,0,1,0,0|1,0,1]=4 238 B8R1.3 C[C@H]1CC[C@H](O)CN1 W10034 [0,1,0,1,0,0|1,0,1]=4 239 B8R1.3 C[C@H]1CC[C@H](O)CN1 W11753 [0,1,0,1,0,0|1,0,1]=4 240 B8R1.3 O=C1CC[C@H](O)CO1 AT23772 [0,1,0,1,0,0|0,0,0]=2 241 B8R1.3 O=C1CC[C@H](O)CO1 AT23773 [0,1,0,1,0,0|0,0,0]=2 242 B8R1.3 OC1CCC(S)CC1 D76598 [0,1,0,1,0,0|1,0,1]=4 243 B8R1.5 N[C@H]1COCCC1=O E73090 [0,1,0,1,0,0|2,0,0]=4 244 B8R1.5 O=C1NCCC[C@@H]1O AT24626 [0,1,0,1,0,0|1,0,0]=3 245 B8R1.5 O=C1NCCC[C@@H]1O D77061 [0,1,0,1,0,0|1,0,0]=3 246 B8R1.5 O=C1NCCOC1=O P10038 [0,1,0,1,0,0|1,0,1]=4 247 B8R1.22 O[C@H]1CCCCNC1 AT25228 [0,1,0,1,0,0|1,0,1]=4 248 B8R1.22 O[C@H]1CCCCNC1 AT25231 [0,1,0,1,0,0|1,0,1]=4 249 B8R1.22 O[C@H]1CCCNCC1 AT25235 [0,1,0,1,0,0|1,0,1]=4 250 B8R1.22 O[C@H]1CCCNCC1 AT25242 [0,1,0,1,0,0|1,0,1]=4 251 B8R1.38 COC(=O)C1=CCC1 P16819 [0,1,0,1,0,0|0,0,2]=4 252 B8R1.38 N[C@@H](CO)C1CCC1 N11335 [0,1,0,1,0,0|1,0,1]=4 253 B8R1.50 CN1CCC(=O)C1=O C77472 [0,1,0,1,0,0|1,0,1]=4 254 B8R1.50 CN1CC[C@H](O)C1=O AT18767 [0,1,0,1,0,0|1,0,1]=4 255 B8R1.50 CN1CC[C@H](O)C1=O D76675 [0,1,0,1,0,0|1,0,1]=4 256 B8R1.50 C[C@@H]1CNC(=O)[C@H]1N AT23635 [0,1,0,1,0,0|2,0,0]=4 257 B8R1.6 CCOC1CC(=O)C1 D75215 [0,1,0,1,0,0|1,0,0]=3 258 B8R1.6 CCO[C@H]1C[C@@H](O)C1 AT13089 [0,1,0,1,0,0|1,0,1]=4 259 B8R1.6 CCO[C@H]1C[C@H](O)C1 AT13088 [0,1,0,1,0,0|1,0,1]=4 260 B8R1.7 CC(=O)[C@@H]1CCCO1 74399 [0,1,0,1,0,0|1,0,0]=3 261 B8R1.7 CC(O)C1CCOC1 AT21453 [0,1,0,1,0,0|1,0,1]=4 262 B8R1.7 C[C@H](O)C1CCOC1 AT21454 [0,1,0,1,0,0|1,0,1]=4 263 B8R1.7 C[C@H](O)C1CCOC1 AT21455 [0,1,0,1,0,0|1,0,1]=4 264 B8R1.7 C[C@H](O)[C@@H]1CCCO1 E72115 [0,1,0,1,0,0|1,0,1]=4 265 B8R1.7 O=C(O)[C@@H]1C=CCC1 E72837 [0,1,0,1,0,0|0,0,1]=3 266 B8R1.7 O=C(O)[C@@H]1CCNN1 AT21725 [0,1,0,1,0,0|1,0,0]=3 267 B8R1.7 O=C(O)[C@@H]1CCON1 D75847 [0,1,0,1,0,0|1,0,0]=3 268 B8R1.19 CC1(O)CCCC1N AT16546 [0,1,0,1,0,0|1,0,1]=4 269 B8R1.19 C[C@H]1CCNS1(=O)=O AT12412 [0,1,0,1,0,0|1,0,1]=4 270 B8R1.19 C[C@]1(O)CCC[C@@H]1N D77066 [0,1,0,1,0,0|1,0,1]=4 271 B8R1.35 O=C(O)COC1CC1 AT13750 [0,1,0,1,0,0|0,0,0]=2 272 B8R1.72 C[C@]1(O)CCCNC1 P19254 [0,1,0,1,0,0|1,0,1]=4 273 B8R1.72 N=S1(=O)CCNCC1 C77413 [0,1,0,1,0,0|2,0,0]=4 274 B8R1.72 N=S1(=O)CCNCC1 C90199 [0,1,0,1,0,0|2,0,0]=4 275 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 37682 [0,1,0,1,0,0|0,0,0]=2 276 B8R1.23 NC(=O)N1CC(N)C1 AT23063 [0,1,0,1,0,0|2,0,0]=4 277 B8R1.23 NC(=O)N1CC(O)C1 AT23068 [0,1,0,1,0,0|2,0,0]=4 278 B8R1.23 NC(=O)[C@H]1C[C@@H](N)C1 W15876 [0,1,0,1,0,0|1,0,0]=3 279 B8R1.23 O=C1C[C@@H](C(=O)O)O1 P17181 [0,1,0,1,0,0|1,0,1]=4 280 B8R1.30 CC1CC1(C)C(=O)O W16204 [0,1,0,1,0,0|0,0,0]=2 281 B8R1.54 O=C(O)[C@@H](O)C1CC1 AT24777 [0,1,0,1,0,0|0,0,0]=2 282 B8R1.54 O=C(O)[C@@H](O)C1CC1 E73379 [0,1,0,1,0,0|0,0,0]=2 283 B8R1.77 CC(=O)[C@H]1CC1(F)F AT23960 [0,1,0,1,0,0|2,0,0]=4 284 B8R1.77 CC1(C)C[C@@H]1B(O)O P18013 [0,1,0,1,0,0|1,0,1]=4 285 B8R1.21 CC1CC1S(=O)(=O)F AT20658 [0,1,0,1,0,0|1,0,1]=4 286 B8R1.21 C[C@H]1C[C@@H]1S(=O)(=O)Cl AT12610 [0,1,0,1,0,0|1,0,1]=4 287 B8R1.55 O=S(=O)(F)C1CCC1 AT20662 [0,1,0,1,0,0|1,0,1]=4 288 B8R2.7 OC12CCC(C1)C2 AT22687 [0,0,0,2,0,0|1,0,1]=4 289 B8R2.18 O=C1CC2OC2C1 60055 [0,0,0,2,0,0|2,0,0]=4 290 B8R2.38 O=C1CC[C@@H]2C[C@H]12 E73217 [0,0,0,2,0,0|1,0,0]=3 291 B8R2.38 O=C1NCC2CC12 P20911 [0,0,0,2,0,0|1,0,0]=3 292 B8R2.38 O=C1NC[C@@H]2C[C@H]12 H11600 [0,0,0,2,0,0|1,0,0]=3 293 B8R2.38 O=C1OC[C@@H]2C[C@H]12 AT22533 [0,0,0,2,0,0|0,0,0]=2 294 B8R2.1 C1CC([C@@H]2CO2)C1 AT11479 [0,0,0,2,0,0|1,0,1]=4