0 B7R1.2 CC1=CN=C(Br)O1 F20659 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13012 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.2 C[C@H]1CC(=O)CN1 AT25616 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.2 C[C@H]1CC(=O)CN1 AT25617 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.2 C[C@H]1CC(=O)CN1 AT25618 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.2 C[C@H]1CC(=O)CN1 C92326 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.2 C[C@H]1CC(=O)CN1 C92327 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.2 C[C@H]1CC[C@H](C)N1 32834 [0,0,0,0,0,0|2,0,1]=3 8 B7R1.2 C[C@H]1C[C@@H](C)CN1 87739 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.2 C[C@H]1C[C@@H](C)CN1 87744 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.2 C[C@H]1C[C@H](O)CN1 F13847 [0,0,0,0,0,0|2,0,2]=4 11 B7R1.2 NC1CCC(F)C1 E72865 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.2 N[C@@H]1CC[C@H](F)C1 W15419 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.2 N[C@@H]1CC[C@H](F)C1 W19686 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.2 N[C@@H]1CNC(=O)C1 D72849 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.2 N[C@H]1CC[C@H](F)C1 73245 [0,0,0,0,0,0|3,0,1]=4 16 B7R1.2 O=C1CSC(=O)C1 AT24293 [0,0,0,0,0,0|3,0,1]=4 17 B6R1.2 Br[C@H]1CCNC1 D87521 [1,0,0,0,0,0|3,0,0]=4 18 B6R1.2 CC1=NNCC1 D76466 [1,0,0,0,0,0|2,0,1]=4 19 B6R1.2 CN1CC=CC1 A10777 [1,0,0,0,0,0|2,0,1]=4 20 B6R1.2 O=C1C=COC1 D75288 [1,0,0,0,0,0|2,0,1]=4 21 B6R1.2 O=C1NC=CO1 C74434 [1,0,0,0,0,0|1,0,2]=4 22 B8R1.1 C=C[C@@H]1CNC(=S)O1 43344 [0,1,0,0,0,0|1,1,1]=4 23 B8R1.1 CO[C@@H]1C=CC(=O)C1 AT12708 [0,1,0,0,0,0|1,0,2]=4 24 B8R1.1 CO[C@@H]1CNC(=O)C1 AT19116 [0,1,0,0,0,0|2,0,0]=3 25 B8R1.1 C[C@@H]1CC[C@H](CO)N1 W10038 [0,1,0,0,0,0|1,0,2]=4 26 B8R1.1 N#C[C@@H]1CCC(=O)N1 D72817 [0,1,0,0,0,0|1,0,1]=3 27 B8R1.1 NCC1=NNC(=O)O1 AT18775 [0,1,0,0,0,0|2,0,1]=4 28 B8R1.1 NCC1CCC(O)C1 D76686 [0,1,0,0,0,0|1,0,2]=4 29 B8R1.1 NC[C@@H]1CNC(=O)C1 33527 [0,1,0,0,0,0|2,0,0]=3 30 B8R1.1 NC[C@H]1CNC(=O)O1 P14474 [0,1,0,0,0,0|1,0,0]=2 31 B8R1.1 NC[C@H]1COC(=O)N1 P14076 [0,1,0,0,0,0|2,0,0]=3 32 B8R1.1 O=C1C=C[C@H](CBr)O1 AC6821 [0,1,0,0,0,0|0,0,2]=3 33 B8R1.1 O=C1CC[C@H](CBr)N1 W15281 [0,1,0,0,0,0|1,0,0]=2 34 B8R1.1 O=C1CC[C@H](CCl)C1 AT22684 [0,1,0,0,0,0|1,0,0]=2 35 B8R1.1 O=C1CC[C@H](CI)C1 AT22686 [0,1,0,0,0,0|1,0,0]=2 36 B8R1.1 O=C1C[C@H](CI)CN1 E72920 [0,1,0,0,0,0|2,0,0]=3 37 B8R1.1 OCC1CCC(O)C1 D76829 [0,1,0,0,0,0|1,0,2]=4 38 B8R1.1 OC[C@@H]1CC[C@H](F)C1 AT22253 [0,1,0,0,0,0|2,0,1]=4 39 B8R1.1 OC[C@H]1CC[C@H](F)C1 AT22254 [0,1,0,0,0,0|2,0,1]=4 40 B8R1.18 CC1=NC(C)C(C)S1 AT23987 [0,1,0,0,0,0|2,1,0]=4 41 B8R1.18 CN1C[C@@H](N)CC1=O AT19104 [0,1,0,0,0,0|3,0,0]=4 42 B8R1.18 CN1C[C@@H](N)CC1=O AT19105 [0,1,0,0,0,0|3,0,0]=4 43 B8R1.18 CN1C[C@@H](N)CC1=O AT23597 [0,1,0,0,0,0|3,0,0]=4 44 B8R1.18 CN1C[C@@H](N)CC1=O AT23598 [0,1,0,0,0,0|3,0,0]=4 45 B8R1.18 CN1C[C@@H](O)CC1=O AT19112 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.18 CN1C[C@@H](O)CC1=O AT19115 [0,1,0,0,0,0|3,0,0]=4 47 B8R1.18 CN1C[C@@H](O)CC1=O AT19117 [0,1,0,0,0,0|3,0,0]=4 48 B8R1.18 CN1C[C@@H](S)CC1=O AT19213 [0,1,0,0,0,0|3,0,0]=4 49 B8R1.18 CN1OC(=O)C=C1N AT19693 [0,1,0,0,0,0|1,0,2]=4 50 B8R1.18 C[C@@H]1C[C@H](O)C(=O)N1 AT26252 [0,1,0,0,0,0|1,0,0]=2 51 B8R1.18 C[C@@H]1NC(=O)CC1=O D72747 [0,1,0,0,0,0|1,0,1]=3 52 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90246 [0,1,0,0,0,0|1,0,0]=2 53 B8R1.18 N[C@H]1CC(=O)NC1=O AT18961 [0,1,0,0,0,0|2,0,1]=4 54 B8R1.18 N[C@H]1CC(=O)NC1=O AT18962 [0,1,0,0,0,0|2,0,1]=4 55 B8R1.18 N[C@H]1CC(=O)NC1=O AT18963 [0,1,0,0,0,0|2,0,1]=4 56 B8R1.18 N[C@H]1CC(=O)OC1=O AT25837 [0,1,0,0,0,0|1,0,1]=3 57 B8R1.50 CC1CCC(C)C1N N13148 [0,1,0,0,0,0|2,0,1]=4 58 B8R1.50 CN1CCC(=O)C1=O C77472 [0,1,0,0,0,0|2,0,0]=3 59 B8R1.50 C[C@@H]1CNC(=O)[C@H]1N AT23635 [0,1,0,0,0,0|2,0,0]=3 60 B8R1.50 N[C@@H]1C(=O)NC[C@@H]1O AT23609 [0,1,0,0,0,0|3,0,0]=4 61 B8R1.50 N[C@@H]1C(=O)NC[C@@H]1O AT26183 [0,1,0,0,0,0|3,0,0]=4 62 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O AT23610 [0,1,0,0,0,0|3,0,0]=4 63 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O AT26184 [0,1,0,0,0,0|3,0,0]=4 64 B8R1.50 O=C1OC[C@H](O)[C@@H]1Br AC9565 [0,1,0,0,0,0|3,0,0]=4 65 B8R1.51 CC1(C)CC(=O)NO1 D73554 [0,1,0,0,0,0|3,0,0]=4 66 B8R1.51 CC1(C)CN=C(N)N1 AT25105 [0,1,0,0,0,0|3,0,0]=4 67 B8R1.51 CC1(C)CSC(=O)N1 AT20223 [0,1,0,0,0,0|2,0,0]=3 68 B8R1.51 CC1(C)NCC(=O)N1 F31287 [0,1,0,0,0,0|2,0,0]=3 69 B8R1.51 CC1(O)CCC(N)C1 P13560 [0,1,0,0,0,0|2,0,1]=4 70 B8R1.51 CC1(O)CCC(N)C1 P18531 [0,1,0,0,0,0|2,0,1]=4 71 B8R1.51 C[C@H]1CCS(=O)(=O)N1 AT12410 [0,1,0,0,0,0|2,0,0]=3 72 B8R1.51 C[C@H]1CNS(=O)(=O)C1 AT12411 [0,1,0,0,0,0|3,0,0]=4 73 B8R1.51 O=C1CCC(F)(F)C1 C90742 [0,1,0,0,0,0|2,0,0]=3 74 B6R0.1 COCC(=O)CBr AT12825 [0,0,1,0,0,0|3,0,0]=4 75 B6R0.4 CC(=O)CCCN C77428 [0,0,1,0,0,0|2,0,0]=3 76 B6R0.4 NCC#CC(=O)O AT20731 [0,0,1,0,0,0|1,0,2]=4 77 B6R0.4 NC\C=C/C(=O)O AT20734 [0,0,1,0,0,0|1,0,2]=4 78 B6R0.4 NC\C=C\C(=O)O AT20733 [0,0,1,0,0,0|1,0,2]=4 79 B6R0.4 O=C(O)C#CCCl D85992 [0,0,1,0,0,0|1,0,2]=4 80 B8R2.7 NC12CCC(C1)C2 D74776 [0,0,0,1,0,0|2,0,1]=4 81 B8R2.7 OC12CCC(C1)C2 AT22687 [0,0,0,1,0,0|1,0,2]=4 82 B8R2.18 N[C@H]1C[C@@H]2C[C@@H]2C1 P14914 [0,0,0,1,0,0|2,0,1]=4 83 B8R2.18 O=C1CC2OC2C1 60055 [0,0,0,1,0,0|2,0,0]=3 84 B8R2.38 NC1CCC2CC12 P12183 [0,0,0,1,0,0|2,0,1]=4 85 B8R2.38 O=C1CC[C@@H]2C[C@H]12 E73217 [0,0,0,1,0,0|1,0,0]=2 86 B8R2.38 O=C1NCC2CC12 P20911 [0,0,0,1,0,0|2,0,0]=3 87 B8R2.38 O=C1NC[C@@H]2C[C@H]12 H11600 [0,0,0,1,0,0|2,0,0]=3 88 B8R2.38 O=C1OC[C@@H]2C[C@H]12 AT22533 [0,0,0,1,0,0|2,0,0]=3 89 B6R1.4 CC1CCC1N AT10478 [0,0,0,0,1,0|1,0,1]=3 90 B6R1.4 CC1CCC1O AC8042 [0,0,0,0,1,0|0,0,2]=3 91 B6R1.4 CC1CNC1C E72893 [0,0,0,0,1,0|2,0,1]=4 92 B6R1.4 C[C@@H]1NC[C@@H]1F AT24718 [0,0,0,0,1,0|2,0,1]=4 93 B6R1.4 C[C@@H]1NC[C@@H]1F AT24722 [0,0,0,0,1,0|2,0,1]=4 94 B6R1.4 C[C@H]1NC[C@@H]1F AT24723 [0,0,0,0,1,0|2,0,1]=4 95 B6R1.4 C[C@H]1NC[C@@H]1F D79132 [0,0,0,0,1,0|2,0,1]=4 96 B6R1.4 NN1CCC1=O 33382 [0,0,0,0,1,0|2,0,0]=3 97 B6R1.4 N[C@@H]1CC[C@@H]1O P20950 [0,0,0,0,1,0|1,0,2]=4 98 B6R1.4 N[C@@H]1CC[C@@H]1O P20953 [0,0,0,0,1,0|1,0,2]=4 99 B6R1.4 N[C@H]1CCC1=O AT24523 [0,0,0,0,1,0|1,0,0]=2 100 B6R1.4 N[C@H]1CNC1=O P16451 [0,0,0,0,1,0|2,0,0]=3 101 B6R1.4 N[C@H]1CNC1=O P18336 [0,0,0,0,1,0|2,0,0]=3 102 B6R1.4 O=C1CC[C@@H]1O 94997 [0,0,0,0,1,0|1,0,0]=2 103 B6R1.4 O=C1NC[C@@H]1O D77141 [0,0,0,0,1,0|2,0,0]=3 104 B6R1.5 C[C@H]1C[C@@H](O)C1 P20283 [0,0,0,0,1,0|1,0,2]=4 105 B6R1.5 O=C1C[C@H](F)N1 D72810 [0,0,0,0,1,0|2,0,0]=3 106 B6R1.5 OC1=C[C@@H](F)C1 F18634 [0,0,0,0,1,0|2,0,1]=4 107 B8R1.3 C=C1CCC(O)CC1 AT15311 [0,0,0,0,0,1|3,0,0]=4 108 B8R1.3 CN1C=CC(=O)CC1 D73438 [0,0,0,0,0,1|2,0,0]=3 109 B8R1.3 C[C@@H]1CC[C@H](O)CN1 W10035 [0,0,0,0,0,1|1,0,2]=4 110 B8R1.3 C[C@H]1CC[C@H](C)CC1 F10496 [0,0,0,0,0,1|2,0,1]=4 111 B8R1.3 C[C@H]1CC[C@H](O)CN1 73247 [0,0,0,0,0,1|1,0,2]=4 112 B8R1.3 C[C@H]1CC[C@H](O)CN1 W10034 [0,0,0,0,0,1|1,0,2]=4 113 B8R1.3 C[C@H]1CC[C@H](O)CN1 W11753 [0,0,0,0,0,1|1,0,2]=4 114 B8R1.3 C[C@H]1CO[C@@H](C)CN1 AC8572 [0,0,0,0,0,1|2,0,1]=4 115 B8R1.3 O=C1CC[C@H](O)CO1 AT23772 [0,0,0,0,0,1|1,0,0]=2 116 B8R1.3 O=C1CC[C@H](O)CO1 AT23773 [0,0,0,0,0,1|1,0,0]=2 117 B8R1.4 C[C@@H]1CNC[C@@H](O)C1 AT13826 [0,0,0,0,0,1|1,0,2]=4 118 B8R1.4 C[C@H]1CC(=O)CCO1 P11762 [0,0,0,0,0,1|1,0,0]=2 119 B8R1.4 C[C@H]1CCC[C@H](N)C1 94624 [0,0,0,0,0,1|2,0,1]=4 120 B8R1.4 C[C@H]1CNC[C@H](C)N1 C15745 [0,0,0,0,0,1|2,0,1]=4 121 B8R1.4 C[C@H]1CNC[C@H](C)N1 P10621 [0,0,0,0,0,1|2,0,1]=4 122 B8R1.4 C[C@H]1COC[C@H](C)N1 D72922 [0,0,0,0,0,1|2,0,1]=4 123 B8R1.4 C[C@H]1COC[C@H](C)N1 F17621 [0,0,0,0,0,1|2,0,1]=4 124 B8R1.4 C[C@H]1C[C@@H](N)CCO1 D79497 [0,0,0,0,0,1|2,0,1]=4 125 B5R0.1 CNC[C@H](C)O C77457 [1,0,1,0,0,0|1,0,1]=4 126 B5R0.1 C[C@H](F)CCN D76461 [1,0,1,0,0,0|2,0,0]=4 127 B5R0.1 C[C@H](N)CCF AT11794 [1,0,1,0,0,0|2,0,0]=4 128 B5R0.1 C[C@H](O)CCN D77178 [1,0,1,0,0,0|1,0,0]=3 129 B5R0.2 CCOCC=O AT18655 [1,0,1,0,0,0|1,0,0]=3 130 B5R0.2 O=CCCCBr AT24507 [1,0,1,0,0,0|1,0,0]=3 131 B5R0.3 O=C(CO)CBr AC6051 [1,0,1,0,0,0|2,0,0]=4 132 B7R0.2 CN[C@@H](C)CC(=O)O D72538 [0,1,1,0,0,0|2,0,0]=4 133 B7R0.3 CCONC(=O)CO AT24923 [0,1,1,0,0,0|1,0,0]=3 134 B7R0.3 O=C(CO)NCCO D86391 [0,1,1,0,0,0|2,0,0]=4 135 B7R0.4 CCCCC[13C](=O)O 41454 [0,1,1,0,0,0|0,0,0]=2 136 B7R0.4 C[S@](=O)CCCCN AT23964 [0,1,1,0,0,0|2,0,0]=4 137 B7R0.4 NCCCCC(N)=O D77059 [0,1,1,0,0,0|1,0,0]=3 138 B7R0.4 O=C(O)COCCBr C70239 [0,1,1,0,0,0|1,0,0]=3 139 B7R0.4 O=C(O)COCCF AT25496 [0,1,1,0,0,0|1,0,0]=3 140 B7R0.6 C[C@H](N)CCC(=O)O D75535 [0,1,1,0,0,0|0,0,0]=2 141 B7R0.6 O=C(O)CCB(O)O E72861 [0,1,1,0,0,0|2,0,0]=4 142 B7R0.6 O=C(O)CCC(F)F P19183 [0,1,1,0,0,0|1,0,0]=3 143 B7R0.6 O=C(O)CSC(F)F AC9774 [0,1,1,0,0,0|2,0,0]=4 144 B7R1.1 C#C[C@@H]1CCCO1 AT10094 [1,1,0,0,0,0|0,0,2]=4 145 B7R1.1 C#C[C@@H]1CCCO1 AT10095 [1,1,0,0,0,0|0,0,2]=4 146 B7R1.1 C#C[C@@H]1CCCO1 AT10096 [1,1,0,0,0,0|0,0,2]=4 147 B7R1.1 CC[C@H]1CCCN1 RB4030 [1,1,0,0,0,0|1,0,1]=4 148 B7R1.1 FC[C@H]1CCCN1 P12557 [1,1,0,0,0,0|1,0,1]=4 149 B7R1.1 FC[C@H]1CCNC1 AT23179 [1,1,0,0,0,0|2,0,0]=4 150 B7R1.1 NC[C@@H]1C=CCC1 E73245 [1,1,0,0,0,0|1,0,0]=3 151 B7R1.1 O=C[C@@H]1CCCO1 98506 [1,1,0,0,0,0|0,0,1]=3 152 B7R1.1 O=C[C@@H]1CCCO1 98507 [1,1,0,0,0,0|0,0,1]=3 153 B7R1.1 OC[C@H]1CCON1 AT14857 [1,1,0,0,0,0|2,0,0]=4 154 B7R1.4 CC1CNCC1N AT23640 [1,1,0,0,0,0|2,0,0]=4 155 B7R1.4 CC1NCCC1O 94946 [1,1,0,0,0,0|1,0,1]=4 156 B7R1.4 CC1NCCC1O AT22499 [1,1,0,0,0,0|1,0,1]=4 157 B7R1.4 C[C@@H]1COC[C@@H]1O 73075 [1,1,0,0,0,0|2,0,0]=4 158 B7R1.4 C[C@@H]1NCCC1=O AT25613 [1,1,0,0,0,0|2,0,0]=4 159 B7R1.4 C[C@@H]1NCC[C@@H]1O AT22514 [1,1,0,0,0,0|1,0,1]=4 160 B7R1.4 C[C@@H]1NCC[C@@H]1O C90248 [1,1,0,0,0,0|1,0,1]=4 161 B7R1.4 C[C@H]1CCNC1=O D72756 [1,1,0,0,0,0|1,0,0]=3 162 B7R1.4 C[C@H]1CNC[C@@H]1N AT23637 [1,1,0,0,0,0|2,0,0]=4 163 B7R1.4 C[C@H]1CNC[C@@H]1N AT23638 [1,1,0,0,0,0|2,0,0]=4 164 B7R1.4 C[C@H]1CNC[C@@H]1N AT23639 [1,1,0,0,0,0|2,0,0]=4 165 B7R1.4 C[C@H]1CNC[C@@H]1O P12669 [1,1,0,0,0,0|2,0,0]=4 166 B7R1.4 C[C@H]1COC[C@@H]1N D72913 [1,1,0,0,0,0|2,0,0]=4 167 B7R1.4 C[C@H]1CONC1=O D73580 [1,1,0,0,0,0|2,0,0]=4 168 B7R1.4 C[C@H]1NCC[C@@H]1O AT23994 [1,1,0,0,0,0|1,0,1]=4 169 B7R1.4 O=C1CCNC1=O AT24684 [1,1,0,0,0,0|1,0,1]=4 170 B7R1.14 CC1(C)C=CCC1 AC8462 [1,1,0,0,0,0|1,0,0]=3 171 B7R1.14 C[C@]1(F)CCNC1 P12925 [1,1,0,0,0,0|2,0,0]=4 172 B7R1.14 C[C@]1(N)CCNC1 F13099 [1,1,0,0,0,0|2,0,0]=4 173 B7R1.14 C[C@]1(N)CCNC1 F14416 [1,1,0,0,0,0|2,0,0]=4 174 B7R1.8 COC1CCC1N AT20027 [0,1,0,0,1,0|1,0,1]=4 175 B7R1.8 CO[C@H]1CC[C@@H]1N AT20051 [0,1,0,0,1,0|1,0,1]=4 176 B7R1.8 CO[C@H]1CC[C@@H]1N AT20055 [0,1,0,0,1,0|1,0,1]=4 177 B7R1.8 CO[C@H]1CC[C@H]1N AT20049 [0,1,0,0,1,0|1,0,1]=4 178 B7R1.8 CO[C@H]1CC[C@H]1N AT20056 [0,1,0,0,1,0|1,0,1]=4 179 B7R1.8 CO[C@H]1CC[C@H]1N AT20057 [0,1,0,0,1,0|1,0,1]=4 180 B7R1.8 NC[C@H]1CC[C@@H]1O AT20432 [0,1,0,0,1,0|0,0,2]=4 181 B7R1.8 OC[C@@H]1CC[C@@H]1O P19439 [0,1,0,0,1,0|0,0,2]=4 182 B7R1.17 CC1(C)CCC1=O P17178 [0,1,0,0,1,0|0,0,0]=2 183 B7R1.17 CC1(C)CNC1=O D72852 [0,1,0,0,1,0|1,0,0]=3 184 B7R1.17 CC1(C)OCC1=O P17179 [0,1,0,0,1,0|1,0,0]=3 185 B7R1.17 C[C@]1(O)CC[C@@H]1N AT11409 [0,1,0,0,1,0|1,0,1]=4 186 B7R1.10 CO[C@H]1CC(=O)N1 D72811 [0,1,0,0,1,0|1,0,0]=3 187 B7R1.10 CSC1CC(=O)C1 AT20150 [0,1,0,0,1,0|1,0,0]=3 188 B7R1.10 O=C1C[C@H](CBr)O1 AC5920 [0,1,0,0,1,0|0,0,0]=2 189 B7R1.16 CC1(O)CC(=O)C1 AT22537 [0,1,0,0,1,0|1,0,0]=3 190 B9R1.1 CC[C@@H]1C=CC(=O)CC1 AT12677 [0,1,0,0,0,1|1,0,0]=3 191 B9R1.1 NC[C@H]1CNC(=O)CO1 AT21307 [0,1,0,0,0,1|1,0,0]=3 192 B9R1.1 NC[C@H]1CNC(=O)CO1 AT21313 [0,1,0,0,0,1|1,0,0]=3 193 B9R1.69 C[C@H]1CN(C)CCC1=O AT24784 [0,1,0,0,0,1|2,0,0]=4 194 B9R1.69 C[C@H]1CN(C)CCC1=O AT24785 [0,1,0,0,0,1|2,0,0]=4 195 B9R1.69 N[C@H]1C[C@@H](O)CNC1=O AT24178 [0,1,0,0,0,1|2,0,0]=4 196 B9R1.69 O=C1C[C@@H](O)[C@@H](O)CN1 81441 [0,1,0,0,0,1|2,0,0]=4 197 B9R1.2 CC1CNCC(CO)O1 AT18644 [0,1,0,0,0,1|0,0,2]=4 198 B9R1.2 CC[C@H]1CCNC(=O)C1 AC8855 [0,1,0,0,0,1|1,0,0]=3 199 B9R1.2 C[C@@H]1CNC[C@H](CO)O1 AT18648 [0,1,0,0,0,1|0,0,2]=4 200 B9R1.2 C[C@H]1CNC[C@H](CO)O1 AT18646 [0,1,0,0,0,1|0,0,2]=4 201 B9R1.2 C[C@H]1CNC[C@H](CO)O1 AT18647 [0,1,0,0,0,1|0,0,2]=4 202 B9R1.2 NC[C@H]1CCCC(=O)N1 F20761 [0,1,0,0,0,1|1,0,0]=3 203 B9R1.2 O=C1CCC[C@H](CO)N1 C14538 [0,1,0,0,0,1|1,0,0]=3 204 B9R1.2 O=C1CCC[C@H](CO)N1 P11606 [0,1,0,0,0,1|1,0,0]=3 205 B9R1.2 O=C1CCO[C@@H](CO)C1 C91884 [0,1,0,0,0,1|1,0,0]=3 206 B9R1.2 O=C1COC[C@H](CO)N1 AT10103 [0,1,0,0,0,1|1,0,0]=3 207 B9R1.2 O=C1C[C@@H](CBr)CCN1 AC8741 [0,1,0,0,0,1|1,0,0]=3 208 B9R1.3 CN1CCNC(=O)C1=O AT12018 [0,1,0,0,0,1|2,0,0]=4 209 B9R1.34 CC1=C[C@@H](C)CC(=O)C1 AC6518 [0,1,0,0,0,1|1,0,1]=4 210 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 F31011 [0,1,0,0,0,1|1,0,0]=3 211 B9R1.34 O=C1CC(=O)CC(O)C1 57817 [0,1,0,0,0,1|2,0,0]=4 212 B9R1.66 CC1(C)C=C(I)CCO1 74686 [0,1,0,0,0,1|2,0,0]=4 213 B9R1.66 C[C@H]1CS(=O)(=O)CCN1 AT10762 [0,1,0,0,0,1|2,0,0]=4 214 B9R1.7 CCC[C@@H]1CNC(=O)C1 D75748 [0,2,0,0,0,0|2,0,0]=4 215 B9R1.7 NCC[C@@H]1CNC(=O)C1 AT19064 [0,2,0,0,0,0|2,0,0]=4 216 B9R1.7 NCC[C@H]1CCC(=O)N1 AT10893 [0,2,0,0,0,0|1,0,0]=3 217 B9R1.7 NCC[C@H]1CCC(=O)N1 AT19049 [0,2,0,0,0,0|1,0,0]=3 218 B9R1.7 NCC[C@H]1CCC(=O)N1 AT19053 [0,2,0,0,0,0|1,0,0]=3 219 B9R1.7 O=C1CC[C@H](CCO)N1 AT18821 [0,2,0,0,0,0|1,0,0]=3 220 B9R1.7 O=C1CC[C@H](CCO)N1 AT18837 [0,2,0,0,0,0|1,0,0]=3 221 B9R1.7 O=C1C[C@H](CCO)CN1 AT19057 [0,2,0,0,0,0|2,0,0]=4 222 B9R1.22 CC[C@@H]1NC(=O)CC1=O D72818 [0,2,0,0,0,0|1,0,1]=4 223 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 81440 [0,2,0,0,0,0|0,0,0]=2 224 B9R1.23 N[C@H]1C[C@H](CO)NC1=O AT26185 [0,2,0,0,0,0|1,0,0]=3 225 B9R1.23 N[C@H]1C[C@H](CO)NC1=O AT26186 [0,2,0,0,0,0|1,0,0]=3 226 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53422 [0,2,0,0,0,0|1,0,0]=3 227 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53666 [0,2,0,0,0,0|1,0,0]=3 228 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 D72845 [0,2,0,0,0,0|1,0,0]=3 229 B9R1.35 CC1CCC(C(=O)O)C1 72652 [0,2,0,0,0,0|1,0,1]=4 230 B9R1.35 C[C@@H](F)[C@@H]1COC(=O)N1 AT25014 [0,2,0,0,0,0|2,0,0]=4 231 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 P17994 [0,2,0,0,0,0|1,0,1]=4 232 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 AT11434 [0,2,0,0,0,0|1,0,1]=4 233 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 AT24203 [0,2,0,0,0,0|1,0,1]=4 234 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 AT19707 [0,2,0,0,0,0|0,0,1]=3 235 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 AT19708 [0,2,0,0,0,0|0,0,1]=3 236 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 AT19709 [0,2,0,0,0,0|0,0,1]=3 237 B9R1.35 O=C1CC[C@@H](C(F)F)N1 AT19171 [0,2,0,0,0,0|1,0,0]=3 238 B9R1.35 O=C1NC[C@@H](C(=O)O)O1 AT13973 [0,2,0,0,0,0|1,0,1]=4 239 B9R1.125 C[C@@]1(CO)CNC(=O)C1 AT19124 [0,2,0,0,0,0|2,0,0]=4 240 B9R1.125 C[C@]1(CI)COC(=O)N1 E72090 [0,2,0,0,0,0|2,0,0]=4 241 B9R1.132 CN1C(=O)CC[C@@H]1CN F13760 [0,2,0,0,0,0|1,0,0]=3 242 B9R1.132 CN1C(=O)OC[C@@H]1CO C77407 [0,2,0,0,0,0|2,0,0]=4 243 B9R1.133 NC[C@H]1CCS(=O)(=O)N1 AT12422 [0,2,0,0,0,0|2,0,0]=4 244 B9R1.133 O=S1(=O)CC[C@H](CI)N1 AT12425 [0,2,0,0,0,0|2,0,0]=4 245 B9R1.133 O=S1(=O)CC[C@H](CO)N1 AT12416 [0,2,0,0,0,0|2,0,0]=4 246 B9R1.36 CC1(C)C[C@H](N)C(=O)N1 AT23524 [0,2,0,0,0,0|1,0,0]=3 247 B9R1.36 C[C@@H]1OS(=O)(=O)O[C@H]1C AT25647 [0,2,0,0,0,0|2,0,0]=4 248 B9R1.36 C[C@@H]1OS(=O)(=O)O[C@H]1C AT25648 [0,2,0,0,0,0|2,0,0]=4 249 B9R1.36 C[C@H]1CC(C)(C)NC1=O D75541 [0,2,0,0,0,0|1,0,0]=3 250 B9R1.37 C[C@H]1CC(=O)C(=O)N1C AT26323 [0,2,0,0,0,0|1,0,1]=4 251 B9R1.38 O=C1CC(F)(F)C(=O)O1 AT12560 [0,2,0,0,0,0|1,0,1]=4 252 B9R1.106 CN1CCC(=O)C1(C)C E73144 [0,2,0,0,0,0|2,0,0]=4 253 B9R1.146 C[C@]1(N)CCS(=O)(=O)C1 W10098 [0,2,0,0,0,0|2,0,0]=4 254 B9R1.146 C[C@]1(N)CCS(=O)(=O)C1 W10099 [0,2,0,0,0,0|2,0,0]=4 255 B7R1.21 O=CCC1(F)CC1 AT21838 [0,0,1,1,0,0|2,0,0]=4 256 B7R1.27 CC[C@]1(C)ON1C C11698 [0,0,1,1,0,0|2,0,0]=4 257 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12316 [0,0,1,1,0,0|2,0,0]=4 258 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12373 [0,0,1,1,0,0|2,0,0]=4 259 B7R1.20 NC(=O)CC1CC1 D72924 [0,0,1,1,0,0|2,0,0]=4 260 B7R1.20 O=C(Cl)OC1CC1 C77415 [0,0,1,1,0,0|1,0,0]=3 261 B7R1.18 CC(=O)C1CNC1 C14559 [0,0,1,1,0,0|2,0,0]=4 262 B7R1.18 C[C@H](O)C1CNC1 E73194 [0,0,1,1,0,0|2,0,0]=4 263 B7R1.18 NC(=O)N1CCC1 D77052 [0,0,1,1,0,0|2,0,0]=4 264 B7R1.18 NC(=O)[C@@H]1CCN1 AT22807 [0,0,1,1,0,0|2,0,0]=4 265 B7R1.18 O=C(Cl)C1COC1 AT24224 [0,0,1,1,0,0|2,0,0]=4 266 B7R1.18 O=[S@](O)C1CCC1 AT20162 [0,0,1,1,0,0|1,0,0]=3 267 B7R1.23 O=C[C@H]1CC1(F)F AT12578 [0,0,1,1,0,0|2,0,0]=4 268 B7R2.11 C1NC2CC1C2 P12110 [1,0,0,1,0,0|1,0,1]=4 269 B7R2.13 C1=CC2OC2C1 N13191 [1,0,0,1,0,0|2,0,0]=4 270 B7R2.13 C1C[C@@H]2C[C@@H]2N1 D72941 [1,0,0,1,0,0|1,0,1]=4 271 B7R2.13 C1C[C@@H]2C[C@@H]2N1 D75836 [1,0,0,1,0,0|1,0,1]=4 272 B7R2.8 NC1C2CC1C2 P12554 [0,0,0,1,1,0|1,0,1]=4 273 B7R2.8 NC1C2CC1C2 P14605 [0,0,0,1,1,0|1,0,1]=4 274 B9R2.19 N[C@H]1COC2CC1C2 AT11674 [0,0,0,1,0,1|1,0,1]=4 275 B9R2.19 O=C1CCC2CC1C2 P12658 [0,0,0,1,0,1|1,0,0]=3 276 B9R2.19 O=C1NCC2CC1N2 P12451 [0,0,0,1,0,1|2,0,0]=4 277 B9R2.21 O=C1CC2CC2CN1 P19558 [0,0,0,1,0,1|1,0,0]=3 278 B9R2.49 C1CC2CCC1NO2 E73124 [0,0,0,1,0,1|1,0,1]=4 279 B9R2.49 C1CC2CNC1CO2 38922 [0,0,0,1,0,1|1,0,1]=4 280 B9R2.49 C1CC2CNC1CO2 D73156 [0,0,0,1,0,1|1,0,1]=4 281 B9R2.13 CC12CNCC1(C)O2 AT22664 [0,0,0,1,0,1|1,0,1]=4 282 B9R2.39 O=C1CC2CC1CO2 P13996 [0,0,0,1,0,1|1,0,0]=3 283 B9R2.39 O=C1CC2CCC1N2 F13933 [0,0,0,1,0,1|2,0,0]=4 284 B9R2.39 O=C1CN2CCC1C2 D76671 [0,0,0,1,0,1|2,0,0]=4 285 B9R2.39 O=S1C[C@@H]2C[C@H]1CN2 E72948 [0,0,0,1,0,1|2,0,0]=4 286 B9R2.20 O=C1NC[C@@H]2CC[C@H]12 AT20240 [0,1,0,1,0,0|2,0,0]=4 287 B9R2.20 O=C1OC[C@@H]2CC[C@H]12 E72542 [0,1,0,1,0,0|2,0,0]=4 288 B9R2.33 O=C1CC2CCC2C1 E72896 [0,1,0,1,0,0|1,0,0]=3 289 B9R2.47 O=CC1CC2CC2C1 AT24728 [0,1,0,1,0,0|1,0,1]=4 290 B5R0.5 CC(=O)[C@H](C)N 91521 [0,0,1,0,1,0|1,0,0]=3 291 B5R0.5 CC(C)[C@H](C)N AC5874 [0,0,1,0,1,0|1,0,1]=4 292 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O D98095 [0,0,1,0,1,0|2,0,0]=4 293 B5R1.2 C[C@H]1CCN1 S11047 [1,0,0,0,1,0|1,0,0]=3 294 B5R1.2 SC1CCC1 AT12396 [1,0,0,0,1,0|0,1,1]=4 295 B5R1.4 CC1CC1Br AT22556 [0,0,0,0,2,0|1,0,1]=4 296 B5R1.4 C[C@@H]1C[C@@H]1N AT26073 [0,0,0,0,2,0|1,0,1]=4 297 B5R1.4 C[C@H]1C[C@@H]1N AT11455 [0,0,0,0,2,0|1,0,1]=4 298 B5R1.4 C[C@H]1C[C@@H]1N AT11456 [0,0,0,0,2,0|1,0,1]=4 299 B9R1.48 C[C@H]1CC(=O)NCCN1 12217 [0,0,0,0,0,2|1,0,0]=3 300 B9R1.48 C[C@H]1CC(=O)NCCN1 92001 [0,0,0,0,0,2|1,0,0]=3 301 B9R1.48 C[C@H]1CNCC[C@@H](C)O1 E72987 [0,0,0,0,0,2|1,0,1]=4 302 B9R1.48 N[C@H]1CCCNC(=O)C1 F19647 [0,0,0,0,0,2|2,0,0]=4