0 B6R0.2 C=C(I)CC(=O)O E73427 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.2 CC(N)CC(C)O AT23544 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.2 C[C@H](N)CN(C)C AT11416 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 C=C(C)C#CC AT18764 [1,0,0,0,0,0|1,0,2]=4 4 B5R0.1 CCSC(=S)[S-] 78627 [1,0,0,0,0,0|2,1,0]=4 5 B5R0.1 CNC[C@H](C)O C77457 [1,0,0,0,0,0|2,0,0]=3 6 B5R0.1 COCC(=N)N D87837 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.1 C[C@H](F)CCN D76461 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 C[C@H](N)CCF AT11794 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 C[C@H](O)CCN D77178 [1,0,0,0,0,0|1,0,2]=4 10 B5R0.1 C[S@](=O)CCN AT24515 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.2 CC(C)C[C@H](N)CF AC4927 [0,1,0,0,0,0|1,0,1]=3 12 B7R0.2 CNC(=O)C[N+](=O)[O-] AT26629 [0,1,0,0,0,0|3,0,0]=4 13 B7R0.2 CN[C@@H](C)CC(=O)O D72538 [0,1,0,0,0,0|1,0,0]=2 14 B7R0.2 NC[C@@H](F)CC(=O)O AT24734 [0,1,0,0,0,0|2,0,0]=3 15 B7R0.2 N[C@H](CF)CC(=O)O AT24444 [0,1,0,0,0,0|2,0,0]=3 16 B7R0.2 N[C@H](CF)CC(=O)O AT24502 [0,1,0,0,0,0|2,0,0]=3 17 B7R0.2 N[C@H](CF)CC(=O)O AT24503 [0,1,0,0,0,0|2,0,0]=3 18 B7R0.9 CC(=O)CS(=O)(=O)F E73418 [0,1,0,0,0,0|3,0,0]=4 19 B7R0.9 CC(F)(F)CC(=O)O H11192 [0,1,0,0,0,0|2,0,0]=3 20 B7R0.9 CP(C)(=O)CC(=O)O D76431 [0,1,0,0,0,0|2,0,0]=3 21 B7R0.9 [2H]C([2H])([2H])NC(C)=O D99095 [0,1,0,0,0,0|3,0,0]=4 22 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O AT23378 [0,1,0,0,0,0|2,0,0]=3 23 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O 41455 [0,1,0,0,0,0|2,0,0]=3 24 B7R0.16 C[C@H](F)[C@H](N)C(=O)O E73061 [0,1,0,0,0,0|2,0,0]=3 25 B7R0.16 C[C@H](N)[C@@H](C)C(=O)O 75053 [0,1,0,0,0,0|2,0,0]=3 26 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13012 [0,0,0,1,0,0|1,0,2]=4 27 B7R1.2 C[C@H]1CC(=O)CN1 AT25616 [0,0,0,1,0,0|1,0,0]=2 28 B7R1.2 C[C@H]1CC(=O)CN1 AT25617 [0,0,0,1,0,0|1,0,0]=2 29 B7R1.2 C[C@H]1CC(=O)CN1 AT25618 [0,0,0,1,0,0|1,0,0]=2 30 B7R1.2 C[C@H]1CC(=O)CN1 C92326 [0,0,0,1,0,0|1,0,0]=2 31 B7R1.2 C[C@H]1CC(=O)CN1 C92327 [0,0,0,1,0,0|1,0,0]=2 32 B7R1.2 C[C@H]1CC[C@H](C)N1 32834 [0,0,0,1,0,0|2,0,1]=4 33 B7R1.2 C[C@H]1C[C@@H](C)CN1 87739 [0,0,0,1,0,0|1,0,1]=3 34 B7R1.2 C[C@H]1C[C@@H](C)CN1 87744 [0,0,0,1,0,0|1,0,1]=3 35 B7R1.2 C[C@H]1C[C@H](O)CN1 F13847 [0,0,0,1,0,0|1,0,2]=4 36 B7R1.2 NC1CCC(F)C1 E72865 [0,0,0,1,0,0|2,0,1]=4 37 B7R1.2 N[C@@H]1CC[C@H](F)C1 W15419 [0,0,0,1,0,0|2,0,1]=4 38 B7R1.2 N[C@@H]1CC[C@H](F)C1 W19686 [0,0,0,1,0,0|2,0,1]=4 39 B7R1.2 N[C@@H]1CNC(=O)C1 D72849 [0,0,0,1,0,0|2,0,0]=3 40 B7R1.2 N[C@H]1CC[C@H](F)C1 73245 [0,0,0,1,0,0|2,0,1]=4 41 B7R1.2 O=C1CSC(=O)C1 AT24293 [0,0,0,1,0,0|2,0,1]=4 42 B7R1.12 CC1CC1B(O)O AT22555 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12316 [0,0,0,1,0,0|1,0,0]=2 44 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12373 [0,0,0,1,0,0|1,0,0]=2 45 B7R1.12 O=C(O)[C@@H]1C[C@@H]1Br E73137 [0,0,0,1,0,0|2,0,0]=3 46 B7R1.12 O=C(O)[C@H]1C[C@@H]1I CS3435 [0,0,0,1,0,0|2,0,0]=3 47 B7R1.16 C=C1CC(F)(F)C1 72622 [0,0,0,1,0,0|3,0,0]=4 48 B7R1.16 CC1(F)CC(N)C1 P14355 [0,0,0,1,0,0|2,0,1]=4 49 B7R1.16 CC1(O)CC(=O)C1 AT22537 [0,0,0,1,0,0|1,0,0]=2 50 B7R1.16 CC1(O)CC(O)C1 AT22536 [0,0,0,1,0,0|1,0,2]=4 51 B7R1.16 CN1CC(C)(N)C1 AT13379 [0,0,0,1,0,0|2,0,1]=4 52 B7R1.16 C[C@H]1CC(C)(C)N1 D86024 [0,0,0,1,0,0|1,0,1]=3 53 B7R1.16 C[C@]1(O)C[C@H](N)C1 P13186 [0,0,0,1,0,0|1,0,2]=4 54 B7R1.16 O=C1CS(=O)(=O)C1 D75198 [0,0,0,1,0,0|3,0,0]=4 55 B7R1.20 NC(=O)CC1CC1 D72924 [0,0,0,1,0,0|1,0,0]=2 56 B7R1.20 O=C(Cl)OC1CC1 C77415 [0,0,0,1,0,0|2,0,0]=3 57 B7R1.20 O=C(O)C=C1CC1 AT21198 [0,0,0,1,0,0|1,0,2]=4 58 B5R0.5 CC(=O)[C@H](C)N 91521 [0,0,0,0,1,0|1,0,0]=2 59 B5R0.5 CC(C)[C@H](C)N AC5874 [0,0,0,0,1,0|1,0,1]=3 60 B5R0.5 C[C@H](O)[C@@H](C)N E72739 [0,0,0,0,1,0|1,0,2]=4 61 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O D98095 [0,0,0,0,1,0|2,0,0]=3 62 B7R0.6 C[C@H](N)CCC(=O)O D75535 [0,0,0,0,0,1|2,0,0]=3 63 B7R0.6 O=C(O)CCC(F)F P19183 [0,0,0,0,0,1|3,0,0]=4 64 B7R0.6 O=C(O)CSC(F)F AC9774 [0,0,0,0,0,1|3,0,0]=4 65 B4R0.1 CN(N)C=O D74578 [2,0,0,0,0,0|2,0,0]=4 66 B4R0.1 [2H][C@@H](C)CO D98056 [2,0,0,0,0,0|1,0,1]=4 67 B6R0.1 C=CC[C@H](N)CF AT24441 [1,1,0,0,0,0|1,0,1]=4 68 B6R0.1 C=CC[C@H](O)CN AT10909 [1,1,0,0,0,0|1,0,1]=4 69 B6R0.1 C=CC[C@H](O)CN AT10910 [1,1,0,0,0,0|1,0,1]=4 70 B6R0.1 CCC[C@H](N)CF AC5307 [1,1,0,0,0,0|1,0,1]=4 71 B6R0.1 CCC[C@H](N)CF AC7092 [1,1,0,0,0,0|1,0,1]=4 72 B6R0.1 CNC[C@H](O)CF AT22540 [1,1,0,0,0,0|2,0,0]=4 73 B6R0.1 COCC(=O)CBr AT12825 [1,1,0,0,0,0|1,0,0]=3 74 B6R0.1 COC[C@@H](F)CN P20360 [1,1,0,0,0,0|2,0,0]=4 75 B6R0.1 COC[C@@H](N)CO 91278 [1,1,0,0,0,0|2,0,0]=4 76 B6R0.1 COC[C@@H](N)CO D75105 [1,1,0,0,0,0|2,0,0]=4 77 B6R0.1 COC[C@@H](N)CO D75106 [1,1,0,0,0,0|2,0,0]=4 78 B6R0.1 NCCC(=O)NO AT14832 [1,1,0,0,0,0|2,0,0]=4 79 B6R0.3 C=C[C@@H](C)[C@H](C)O E71487 [1,1,0,0,0,0|1,0,1]=4 80 B6R0.3 C=C[C@@H](C)[C@H](C)O E71488 [1,1,0,0,0,0|1,0,1]=4 81 B6R0.3 CC(C)[C@@H](F)CO AT16234 [1,1,0,0,0,0|0,0,2]=4 82 B6R0.3 CC(C)[C@@H](N)CF AC4773 [1,1,0,0,0,0|1,0,1]=4 83 B6R0.3 CC(C)[C@@H](N)CF AC5313 [1,1,0,0,0,0|1,0,1]=4 84 B6R0.3 CC(C)[C@@H](N)CF AC7091 [1,1,0,0,0,0|1,0,1]=4 85 B6R0.3 CC(C)[C@@H](N)CO AT21568 [1,1,0,0,0,0|0,0,2]=4 86 B6R0.3 NC[C@H](F)C(=O)O 94834 [1,1,0,0,0,0|2,0,0]=4 87 B6R0.3 NC[C@H](F)C(=O)O 94835 [1,1,0,0,0,0|2,0,0]=4 88 B6R0.3 N[C@@H](CF)C(=O)O AT23058 [1,1,0,0,0,0|2,0,0]=4 89 B6R0.3 N[C@@H](CF)C(=O)O AT23059 [1,1,0,0,0,0|2,0,0]=4 90 B6R0.3 N[C@@H](CF)C(=O)O FD21128 [1,1,0,0,0,0|2,0,0]=4 91 B6R0.4 CC#CC[C@H](C)N AT21841 [1,1,0,0,0,0|1,0,1]=4 92 B6R0.4 CC(=O)CCCN C77428 [1,1,0,0,0,0|0,0,0]=2 93 B6R0.5 C#CCC(C)(C)C AT23213 [1,1,0,0,0,0|0,0,2]=4 94 B6R0.5 CC(C)(F)CCN P14068 [1,1,0,0,0,0|1,0,1]=4 95 B6R0.5 CC(C)(F)CCO AT22034 [1,1,0,0,0,0|0,0,2]=4 96 B6R0.5 CC(C)(O)CCCl D86387 [1,1,0,0,0,0|1,0,1]=4 97 B6R0.5 CC(C)(O)CON D75282 [1,1,0,0,0,0|2,0,0]=4 98 B6R0.5 C[N+](C)(C)CC=O C77425 [1,1,0,0,0,0|1,0,0]=3 99 B6R0.7 C[C@H](Cl)C(C)(C)O D86388 [0,1,0,0,1,0|1,0,1]=4 100 B6R0.7 [2H][C@@](C)(N)C(=O)O D98482 [0,1,0,0,1,0|2,0,0]=4 101 B6R0.7 [2H][C@@](C)(N)C(=O)O D99309 [0,1,0,0,1,0|2,0,0]=4 102 B6R0.7 [2H][C@@](C)(O)C(=O)[O-] D99583 [0,1,0,0,1,0|2,0,0]=4 103 B8R0.9 COC(=O)CC[C@H](C)Br AT23331 [0,1,0,0,0,1|1,0,0]=3 104 B8R0.9 COC(=O)\C=C\C(C)C D77192 [0,1,0,0,0,1|0,0,1]=3 105 B8R0.9 NC[C@@H](N)CCC(=O)O AT25327 [0,1,0,0,0,1|2,0,0]=4 106 B8R0.23 CC(C)C[C@H](Br)C(=O)O AT22422 [0,1,0,0,0,1|1,0,0]=3 107 B8R0.29 CC(F)(F)CCC(=O)O D86382 [0,1,0,0,0,1|2,0,0]=4 108 B8R0.29 [2H]C([2H])(C)CCC(=O)O D97943 [0,1,0,0,0,1|2,0,0]=4 109 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O D76826 [0,2,0,0,0,0|1,0,0]=3 110 B8R0.2 CC[C@H](C)[C@H]([15NH2])C(=O)O 41457 [0,2,0,0,0,0|1,0,0]=3 111 B8R0.2 COC(=O)[C@@H](C)[C@H](C)N 75023 [0,2,0,0,0,0|1,0,0]=3 112 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O AT10680 [0,2,0,0,0,0|1,0,0]=3 113 B8R0.5 CC(C)C[C@@H](N)CCO AT14312 [0,2,0,0,0,0|1,0,1]=4 114 B8R0.5 NCC[C@H](O)CC(=O)O W16189 [0,2,0,0,0,0|2,0,0]=4 115 B8R0.19 CCC(C)CC(C)CC T71466 [0,2,0,0,0,0|1,0,1]=4 116 B8R0.19 COC(=O)CC(=O)CF AT24447 [0,2,0,0,0,0|1,0,1]=4 117 B8R0.19 COC(=O)C[C@H](C)CBr AT23326 [0,2,0,0,0,0|0,0,0]=2 118 B8R0.19 COC(=O)C[C@H](C)CBr AT23327 [0,2,0,0,0,0|0,0,0]=2 119 B8R0.24 CS(C)(=O)=NC(=O)CN AT25745 [0,2,0,0,0,0|2,0,0]=4 120 B8R0.34 CC(=O)OC(C)(C)CO C90621 [0,2,0,0,0,0|1,0,0]=3 121 B8R0.34 NCC(F)(F)CC(=O)O E72810 [0,2,0,0,0,0|2,0,0]=4 122 B8R0.33 CC(C)(C)CS(=O)(=O)Cl AT12632 [0,2,0,0,0,0|2,0,0]=4 123 B8R0.37 CC(O)C(C)(N)C(=O)O AT25333 [0,2,0,0,0,0|2,0,0]=4 124 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O CX1253 [0,2,0,0,0,0|2,0,0]=4 125 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O D75477 [0,2,0,0,0,0|2,0,0]=4 126 B8R0.37 C[C@H](O)[C@](C)(N)C(=O)O AT25345 [0,2,0,0,0,0|2,0,0]=4 127 B8R0.37 C[C@H](O)[C@](C)(N)C(=O)O AT25346 [0,2,0,0,0,0|2,0,0]=4 128 B8R0.37 [2H][C@@](N)(C(=O)O)C(C)C D99110 [0,2,0,0,0,0|1,0,0]=3 129 B6R1.2 Br[C@H]1CCNC1 D87521 [1,0,0,1,0,0|2,0,0]=4 130 B6R1.2 CC1=NNCC1 D76466 [1,0,0,1,0,0|2,0,0]=4 131 B6R1.2 CN1CC=CC1 A10777 [1,0,0,1,0,0|1,0,1]=4 132 B6R1.5 C[C@H]1C[C@@H](O)C1 P20283 [1,0,0,1,0,0|0,0,2]=4 133 B6R1.5 O=C1C[C@H](F)N1 D72810 [1,0,0,1,0,0|2,0,0]=4 134 B6R1.8 CC1CC1CN E73335 [1,0,0,1,0,0|1,0,1]=4 135 B6R1.8 COC1CC1N 92032 [1,0,0,1,0,0|2,0,0]=4 136 B6R1.8 CO[C@H]1C[C@@H]1N AT11447 [1,0,0,1,0,0|2,0,0]=4 137 B6R1.8 CO[C@H]1C[C@@H]1N D74325 [1,0,0,1,0,0|2,0,0]=4 138 B6R1.8 C[C@H]1C[C@@H]1C=O AT23548 [1,0,0,1,0,0|0,0,0]=2 139 B6R1.8 C[C@H]1C[C@@H]1CBr 55227 [1,0,0,1,0,0|1,0,1]=4 140 B6R1.8 C[C@H]1C[C@@H]1CBr AT23414 [1,0,0,1,0,0|1,0,1]=4 141 B6R1.8 C[C@H]1C[C@@H]1CBr AT23416 [1,0,0,1,0,0|1,0,1]=4 142 B6R1.8 C[C@H]1C[C@@H]1CN 73150 [1,0,0,1,0,0|1,0,1]=4 143 B6R1.8 C[C@H]1C[C@@H]1CO AT23417 [1,0,0,1,0,0|0,0,2]=4 144 B6R1.8 C[C@H]1C[C@@H]1CO AT23419 [1,0,0,1,0,0|0,0,2]=4 145 B6R1.8 O=CC1CC1Cl C77400 [1,0,0,1,0,0|1,0,0]=3 146 B6R1.9 CC1(C)C[C@@H]1O P19509 [1,0,0,1,0,0|0,0,2]=4 147 B6R1.10 CC1(C)CCN1 AT11216 [1,0,0,1,0,0|1,0,1]=4 148 B6R1.10 CC1(N)CSC1 P12309 [1,0,0,1,0,0|2,0,0]=4 149 B6R1.11 CC(C)[C@@H]1CO1 AT11291 [1,0,0,1,0,0|1,0,0]=3 150 B6R1.11 CC(C)[C@@H]1CO1 AT11292 [1,0,0,1,0,0|1,0,0]=3 151 B6R1.11 O=[N+]([O-])C1CC1 AT19034 [1,0,0,1,0,0|2,0,0]=4 152 B6R1.4 CC1CCC1N AT10478 [0,0,0,1,1,0|1,0,1]=4 153 B6R1.4 CC1CCC1O AC8042 [0,0,0,1,1,0|0,0,2]=4 154 B6R1.4 CC1CNC1C E72893 [0,0,0,1,1,0|1,0,1]=4 155 B6R1.4 NN1CCC1=O 33382 [0,0,0,1,1,0|2,0,0]=4 156 B6R1.4 N[C@H]1CCC1=O AT24523 [0,0,0,1,1,0|1,0,0]=3 157 B6R1.4 N[C@H]1CNC1=O P16451 [0,0,0,1,1,0|2,0,0]=4 158 B6R1.4 N[C@H]1CNC1=O P18336 [0,0,0,1,1,0|2,0,0]=4 159 B6R1.4 O=C1CC[C@@H]1O 94997 [0,0,0,1,1,0|1,0,0]=3 160 B6R1.4 O=C1NC[C@@H]1O D77141 [0,0,0,1,1,0|2,0,0]=4 161 B8R1.3 C=C1CCC(O)CC1 AT15311 [0,0,0,1,0,1|2,0,0]=4 162 B8R1.3 CN1C=CC(=O)CC1 D73438 [0,0,0,1,0,1|1,0,1]=4 163 B8R1.3 C[C@@H]1CC[C@H](O)CN1 W10035 [0,0,0,1,0,1|0,0,2]=4 164 B8R1.3 C[C@H]1CC[C@H](C)CC1 F10496 [0,0,0,1,0,1|1,0,1]=4 165 B8R1.3 C[C@H]1CC[C@H](O)CN1 73247 [0,0,0,1,0,1|0,0,2]=4 166 B8R1.3 C[C@H]1CC[C@H](O)CN1 W10034 [0,0,0,1,0,1|0,0,2]=4 167 B8R1.3 C[C@H]1CC[C@H](O)CN1 W11753 [0,0,0,1,0,1|0,0,2]=4 168 B8R1.3 C[C@H]1CN[C@@H](C)CN1 AT17299 [0,0,0,1,0,1|1,0,1]=4 169 B8R1.3 C[C@H]1CO[C@@H](C)CN1 AC8572 [0,0,0,1,0,1|0,0,2]=4 170 B8R1.3 O=C1CC[C@H](O)CO1 AT23772 [0,0,0,1,0,1|1,0,0]=3 171 B8R1.3 O=C1CC[C@H](O)CO1 AT23773 [0,0,0,1,0,1|1,0,0]=3 172 B8R1.20 CC1CC1CC(=O)O E72880 [0,0,0,1,0,1|1,0,0]=3 173 B8R1.23 CC(C)C1CC(N)C1 AT13079 [0,0,0,1,0,1|1,0,1]=4 174 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 37682 [0,0,0,1,0,1|1,0,0]=3 175 B8R1.23 NC(=O)N1CC(N)C1 AT23063 [0,0,0,1,0,1|2,0,0]=4 176 B8R1.23 NC(=O)N1CC(O)C1 AT23068 [0,0,0,1,0,1|2,0,0]=4 177 B8R1.23 NC(=O)[C@H]1C[C@@H](N)C1 W15876 [0,0,0,1,0,1|2,0,0]=4 178 B8R1.35 O=C(O)COC1CC1 AT13750 [0,0,0,1,0,1|1,0,0]=3 179 B8R1.51 CC1(C)CC(=O)NO1 D73554 [0,0,0,1,0,1|1,0,0]=3 180 B8R1.51 CC1(C)CN=C(N)N1 AT25105 [0,0,0,1,0,1|2,0,0]=4 181 B8R1.51 CC1(C)CSC(=O)N1 AT20223 [0,0,0,1,0,1|1,0,0]=3 182 B8R1.51 CC1(C)NCC(=O)N1 F31287 [0,0,0,1,0,1|1,0,0]=3 183 B8R1.51 C[C@@H]1CNC(C)(C)C1 D75540 [0,0,0,1,0,1|1,0,1]=4 184 B8R1.51 C[C@H]1CC(C)(C)CN1 E72926 [0,0,0,1,0,1|1,0,1]=4 185 B8R1.51 C[C@H]1CNS(=O)(=O)C1 AT12411 [0,0,0,1,0,1|2,0,0]=4 186 B8R1.51 O=C1CCC(F)(F)C1 C90742 [0,0,0,1,0,1|2,0,0]=4 187 B8R1.77 CC(=O)[C@H]1CC1(F)F AT23960 [0,0,0,1,0,1|2,0,0]=4 188 B8R1.1 CO[C@@H]1C=CC(=O)C1 AT12708 [0,1,0,1,0,0|0,0,2]=4 189 B8R1.1 CO[C@@H]1CNC(=O)C1 AT19116 [0,1,0,1,0,0|1,0,0]=3 190 B8R1.1 C[C@H]1CN[C@@H](CF)C1 W10040 [0,1,0,1,0,0|1,0,1]=4 191 B8R1.1 N#C[C@@H]1CCC(=O)N1 D72817 [0,1,0,1,0,0|1,0,1]=4 192 B8R1.1 NCC1CCC(O)C1 D76686 [0,1,0,1,0,0|0,0,2]=4 193 B8R1.1 NC[C@@H]1CNC(=O)C1 33527 [0,1,0,1,0,0|1,0,0]=3 194 B8R1.1 NC[C@H]1CNC(=O)O1 P14474 [0,1,0,1,0,0|2,0,0]=4 195 B8R1.1 NC[C@H]1COC(=O)N1 P14076 [0,1,0,1,0,0|2,0,0]=4 196 B8R1.1 O=C1CC[C@H](CBr)N1 W15281 [0,1,0,1,0,0|1,0,0]=3 197 B8R1.1 O=C1CC[C@H](CCl)C1 AT22684 [0,1,0,1,0,0|0,0,0]=2 198 B8R1.1 O=C1CC[C@H](CI)C1 AT22686 [0,1,0,1,0,0|0,0,0]=2 199 B8R1.1 O=C1C[C@H](CI)CN1 E72920 [0,1,0,1,0,0|1,0,0]=3 200 B8R1.1 OCC1CCC(O)C1 D76829 [0,1,0,1,0,0|0,0,2]=4 201 B8R1.1 OC[C@@H]1CC[C@H](F)C1 AT22253 [0,1,0,1,0,0|1,0,1]=4 202 B8R1.1 OC[C@H]1CC[C@H](F)C1 AT22254 [0,1,0,1,0,0|1,0,1]=4 203 B8R1.4 C[C@@H]1CNC[C@@H](O)C1 AT13826 [0,1,0,1,0,0|0,0,2]=4 204 B8R1.4 C[C@H]1CC(=O)CCO1 P11762 [0,1,0,1,0,0|0,0,0]=2 205 B8R1.4 C[C@H]1CCC[C@H](N)C1 94624 [0,1,0,1,0,0|1,0,1]=4 206 B8R1.4 C[C@H]1C[C@@H](N)CCO1 D79497 [0,1,0,1,0,0|1,0,1]=4 207 B8R1.18 CC1=NC(C)C(C)S1 AT23987 [0,1,0,1,0,0|1,1,0]=4 208 B8R1.18 CN1C[C@@H](N)CC1=O AT19104 [0,1,0,1,0,0|1,0,0]=3 209 B8R1.18 CN1C[C@@H](N)CC1=O AT19105 [0,1,0,1,0,0|1,0,0]=3 210 B8R1.18 CN1C[C@@H](N)CC1=O AT23597 [0,1,0,1,0,0|1,0,0]=3 211 B8R1.18 CN1C[C@@H](N)CC1=O AT23598 [0,1,0,1,0,0|1,0,0]=3 212 B8R1.18 CN1C[C@@H](O)CC1=O AT19112 [0,1,0,1,0,0|1,0,0]=3 213 B8R1.18 CN1C[C@@H](O)CC1=O AT19115 [0,1,0,1,0,0|1,0,0]=3 214 B8R1.18 CN1C[C@@H](O)CC1=O AT19117 [0,1,0,1,0,0|1,0,0]=3 215 B8R1.18 CN1C[C@@H](S)CC1=O AT19213 [0,1,0,1,0,0|1,0,0]=3 216 B8R1.18 C[C@@H]1C[C@H](O)C(=O)N1 AT26252 [0,1,0,1,0,0|1,0,0]=3 217 B8R1.18 C[C@@H]1NC(=O)CC1=O D72747 [0,1,0,1,0,0|1,0,1]=4 218 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90246 [0,1,0,1,0,0|1,0,0]=3 219 B8R1.29 CC1(C)C[C@H](N)[C@@H]1O AT11410 [0,1,0,1,0,0|1,0,1]=4 220 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O 94393 [0,1,0,1,0,0|2,0,0]=4 221 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O 94399 [0,1,0,1,0,0|2,0,0]=4 222 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O 94401 [0,1,0,1,0,0|2,0,0]=4 223 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P12531 [0,1,0,1,0,0|2,0,0]=4 224 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P14183 [0,1,0,1,0,0|2,0,0]=4 225 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P12530 [0,1,0,1,0,0|2,0,0]=4 226 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P14693 [0,1,0,1,0,0|2,0,0]=4 227 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O 94392 [0,1,0,1,0,0|2,0,0]=4 228 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O 94395 [0,1,0,1,0,0|2,0,0]=4 229 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O 94397 [0,1,0,1,0,0|2,0,0]=4 230 B8R1.31 O=C(O)C1CCC1O D74978 [0,1,0,1,0,0|2,0,0]=4 231 B8R1.34 CN(C)CC1CNC1 P12133 [0,1,0,1,0,0|2,0,0]=4 232 B8R1.34 CN(C)C[C@H]1CCN1 D74974 [0,1,0,1,0,0|2,0,0]=4 233 B8R1.34 O=C(O)CN1CCC1 D96863 [0,1,0,1,0,0|2,0,0]=4 234 B8R1.34 O=C(O)C[C@H]1CCN1 P19180 [0,1,0,1,0,0|1,0,0]=3 235 B8R1.40 COC(=O)C=C1CC1 AT21192 [0,1,0,1,0,0|0,0,2]=4 236 B8R1.40 NCC(=O)NC1CC1 D76973 [0,1,0,1,0,0|1,0,0]=3 237 B8R1.42 CC(=O)OC1(C)CC1 D96854 [0,1,0,1,0,0|1,0,0]=3 238 B8R1.42 CC1(CC(=O)O)CC1 D86405 [0,1,0,1,0,0|1,0,0]=3 239 B8R1.42 CC1(CC(=O)O)N=N1 AT14501 [0,1,0,1,0,0|2,0,0]=4 240 B8R1.42 NC1(CC(=O)O)CC1 F30393 [0,1,0,1,0,0|1,0,0]=3 241 B8R1.43 C#CC1CC1C(=O)O D73586 [0,1,0,1,0,0|1,0,1]=4 242 B8R1.43 C#C[C@H]1C[C@H]1C(=O)O AT22711 [0,1,0,1,0,0|1,0,1]=4 243 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT12376 [0,1,0,1,0,0|1,0,0]=3 244 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT12377 [0,1,0,1,0,0|1,0,0]=3 245 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT23983 [0,1,0,1,0,0|1,0,0]=3 246 B8R1.43 COC1CC1C(=O)O C77471 [0,1,0,1,0,0|1,0,0]=3 247 B8R1.43 NCC1CC1C(=O)O P17932 [0,1,0,1,0,0|1,0,0]=3 248 B8R1.43 NC[C@@H]1C[C@@H]1C(=O)O AT20753 [0,1,0,1,0,0|1,0,0]=3 249 B8R1.43 NC[C@H]1C[C@@H]1C(=O)O AT20752 [0,1,0,1,0,0|1,0,0]=3 250 B8R1.43 O=C(O)C1CC1CO D75978 [0,1,0,1,0,0|1,0,0]=3 251 B8R1.43 O=C(O)[C@H]1C[C@@H]1CF AT23907 [0,1,0,1,0,0|1,0,0]=3 252 B8R1.43 O=C(O)[C@H]1C[C@@H]1CF AT23914 [0,1,0,1,0,0|1,0,0]=3 253 B8R1.43 O=C(O)[C@H]1C[C@@H]1CF AT23915 [0,1,0,1,0,0|1,0,0]=3 254 B8R1.43 O=C(O)[C@H]1C[C@H]1CF AT23906 [0,1,0,1,0,0|1,0,0]=3 255 B8R1.43 O=C(O)[C@H]1C[C@H]1CF AT23912 [0,1,0,1,0,0|1,0,0]=3 256 B8R1.43 O=C(O)[C@H]1C[C@H]1CF AT23913 [0,1,0,1,0,0|1,0,0]=3 257 B8R1.53 CC1(C)CC(C#N)C1 AT20265 [0,1,0,1,0,0|1,0,1]=4 258 B8R1.53 CC1(C)C[C@H](CBr)O1 32846 [0,1,0,1,0,0|0,0,2]=4 259 B8R1.53 CC1(C)C[C@H](CI)O1 CS2199 [0,1,0,1,0,0|0,0,2]=4 260 B8R1.53 CC1(C)C[C@H](CO)N1 P14472 [0,1,0,1,0,0|1,0,1]=4 261 B8R1.53 CC1(C)C[C@H](CO)O1 32851 [0,1,0,1,0,0|0,0,2]=4 262 B8R1.53 NCC1CS(=O)(=O)C1 AT12528 [0,1,0,1,0,0|2,0,0]=4 263 B8R1.53 NCC1CS(=O)(=O)C1 P19036 [0,1,0,1,0,0|2,0,0]=4 264 B8R1.53 O=S1(=O)CC(CI)C1 AT13057 [0,1,0,1,0,0|2,0,0]=4 265 B8R1.62 CC1CC(N)(CO)C1 AT19781 [0,1,0,1,0,0|1,0,1]=4 266 B8R1.65 CC1(C)C[C@]1(C)CN E73263 [0,1,0,1,0,0|1,0,1]=4 267 B8R1.21 CC1CC1S(=O)(=O)F AT20658 [0,1,0,1,0,0|2,0,0]=4 268 B8R1.21 C[C@H]1C[C@@H]1S(=O)(=O)Cl AT12610 [0,1,0,1,0,0|2,0,0]=4 269 B8R1.30 CC1CC1(C)C(=O)O W16204 [0,1,0,1,0,0|1,0,0]=3 270 B8R1.50 CC1CCC(C)C1N N13148 [0,1,0,1,0,0|1,0,1]=4 271 B8R1.50 CN1CCC(=O)C1=O C77472 [0,1,0,1,0,0|1,0,1]=4 272 B8R1.50 C[C@@H]1CNC(=O)[C@H]1N AT23635 [0,1,0,1,0,0|1,0,0]=3 273 B8R1.50 N[C@@H]1C(=O)NC[C@@H]1O AT23609 [0,1,0,1,0,0|2,0,0]=4 274 B8R1.50 N[C@@H]1C(=O)NC[C@@H]1O AT26183 [0,1,0,1,0,0|2,0,0]=4 275 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O AT23610 [0,1,0,1,0,0|2,0,0]=4 276 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O AT26184 [0,1,0,1,0,0|2,0,0]=4 277 B8R1.50 O=C1OC[C@H](O)[C@@H]1Br AC9565 [0,1,0,1,0,0|2,0,0]=4 278 B8R1.54 O=C(O)[C@@H](O)C1CC1 AT24777 [0,1,0,1,0,0|1,0,0]=3 279 B8R1.54 O=C(O)[C@@H](O)C1CC1 E73379 [0,1,0,1,0,0|1,0,0]=3 280 B8R2.7 CC12CC(CN1)C2 C77410 [0,0,0,2,0,0|1,0,1]=4 281 B8R2.7 NC12CCC(C1)C2 D74776 [0,0,0,2,0,0|1,0,1]=4 282 B8R2.7 OC12CCC(C1)C2 AT22687 [0,0,0,2,0,0|0,0,2]=4 283 B8R2.18 N[C@H]1C[C@@H]2C[C@@H]2C1 P14914 [0,0,0,2,0,0|1,0,1]=4 284 B8R2.18 O=C1CC2OC2C1 60055 [0,0,0,2,0,0|1,0,0]=3 285 B8R2.38 NC1CCC2CC12 P12183 [0,0,0,2,0,0|1,0,1]=4 286 B8R2.38 O=C1CC[C@@H]2C[C@H]12 E73217 [0,0,0,2,0,0|0,0,0]=2 287 B8R2.38 O=C1NCC2CC12 P20911 [0,0,0,2,0,0|1,0,0]=3 288 B8R2.38 O=C1NC[C@@H]2C[C@H]12 H11600 [0,0,0,2,0,0|1,0,0]=3 289 B8R2.38 O=C1OC[C@@H]2C[C@H]12 AT22533 [0,0,0,2,0,0|1,0,0]=3 290 B8R2.26 NC1CC1C2CC2 AT24619 [0,0,0,2,0,0|1,0,1]=4 291 B8R2.43 CC12CC(I)(C1)C2 57461 [0,0,0,2,0,0|1,0,1]=4 292 B8R2.43 CC12CC(O)(C1)C2 AT20342 [0,0,0,2,0,0|0,0,2]=4 293 B8R0.28 CC(C)\C=C\CC(C)C T70700 [0,0,0,0,0,2|1,0,1]=4