0 B5R0.1 BrCCC(Br)Br AT23421 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.1 CNC[C@H](C)O C77457 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.1 C[C@H](F)CCN D76461 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.1 C[C@H](N)CCF AT11794 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.1 C[C@H](O)CCN D77178 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.1 C[S@](=O)CCN AT24515 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.1 FC(F)CCBr AT23420 [0,0,0,0,0,0|3,0,0]=3 7 B4R0.1 C#C[C@H](C)N D86216 [1,0,0,0,0,0|1,0,2]=4 8 B4R0.1 C[C@H](N)C#N 96734 [1,0,0,0,0,0|2,0,1]=4 9 B4R0.1 NC(=S)CO D75093 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.1 [2H][C@@H](C)CO D98056 [1,0,0,0,0,0|1,0,0]=2 11 B4R0.2 NOCCF AT14503 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.1 C#CC[C@H](O)CO D74768 [0,1,0,0,0,0|2,0,1]=4 13 B6R0.1 C=CC[C@H](N)CF AT24441 [0,1,0,0,0,0|2,0,1]=4 14 B6R0.1 C=CC[C@H](O)CN AT10909 [0,1,0,0,0,0|2,0,1]=4 15 B6R0.1 C=CC[C@H](O)CN AT10910 [0,1,0,0,0,0|2,0,1]=4 16 B6R0.1 CCC[C@H](N)CF AC5307 [0,1,0,0,0,0|2,0,0]=3 17 B6R0.1 CCC[C@H](N)CF AC7092 [0,1,0,0,0,0|2,0,0]=3 18 B6R0.1 CC[C@H](N)CCO AT14304 [0,1,0,0,0,0|1,0,0]=2 19 B6R0.1 CC[C@H](N)CCO AT22343 [0,1,0,0,0,0|1,0,0]=2 20 B6R0.1 CC[C@H](N)CCO AT22346 [0,1,0,0,0,0|1,0,0]=2 21 B6R0.1 CC[C@H](O)CON AT14514 [0,1,0,0,0,0|3,0,0]=4 22 B6R0.1 CNC[C@H](O)CF AT22540 [0,1,0,0,0,0|3,0,0]=4 23 B6R0.1 COC[C@@H](F)CN P20360 [0,1,0,0,0,0|3,0,0]=4 24 B6R0.1 COC[C@@H](N)CO 91278 [0,1,0,0,0,0|3,0,0]=4 25 B6R0.1 COC[C@@H](N)CO D75105 [0,1,0,0,0,0|3,0,0]=4 26 B6R0.1 COC[C@@H](N)CO D75106 [0,1,0,0,0,0|3,0,0]=4 27 B6R0.1 N[C@H](CF)CCO AT24448 [0,1,0,0,0,0|1,0,0]=2 28 B6R0.1 N[C@H](CO)CCF E72842 [0,1,0,0,0,0|2,0,0]=3 29 B6R0.1 N[C@H](CO)CCO D75100 [0,1,0,0,0,0|1,0,0]=2 30 B6R0.1 OCC[C@H](O)CCl AT21895 [0,1,0,0,0,0|1,0,0]=2 31 B6R0.2 CC(N)CC(C)O AT23544 [0,1,0,0,0,0|1,0,0]=2 32 B6R0.2 C[C@H](N)CN(C)C AT11416 [0,1,0,0,0,0|2,0,0]=3 33 B6R0.3 C=C[C@@H](C)[C@H](C)O E71487 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.3 C=C[C@@H](C)[C@H](C)O E71488 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.3 CC(C)[C@@H](F)CO AT16234 [0,1,0,0,0,0|0,0,0]=1 36 B6R0.3 CC(C)[C@@H](N)CF AC4773 [0,1,0,0,0,0|1,0,0]=2 37 B6R0.3 CC(C)[C@@H](N)CF AC5313 [0,1,0,0,0,0|1,0,0]=2 38 B6R0.3 CC(C)[C@@H](N)CF AC7091 [0,1,0,0,0,0|1,0,0]=2 39 B6R0.3 CC(C)[C@@H](N)CO AT21568 [0,1,0,0,0,0|0,0,0]=1 40 B6R0.3 C[C@H](O)C(=N)NO AT25257 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.3 N[C@@H](CO)C(F)F 92934 [0,1,0,0,0,0|2,0,0]=3 42 B6R0.3 N[C@@H](CO)C(F)F 92936 [0,1,0,0,0,0|2,0,0]=3 43 B6R0.3 N[C@@H](CO)C(F)F C93218 [0,1,0,0,0,0|2,0,0]=3 44 B6R0.3 N[C@@H](CO)C(F)F C93220 [0,1,0,0,0,0|2,0,0]=3 45 B6R0.3 OC[C@H](O)C(F)F AT21961 [0,1,0,0,0,0|2,0,0]=3 46 B6R0.4 CC#CC[C@H](C)N AT21841 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.4 CC(=O)CCCN C77428 [0,1,0,0,0,0|2,0,1]=4 48 B6R0.4 CCNCC(F)F AT23781 [0,1,0,0,0,0|3,0,0]=4 49 B6R0.4 CNCCC(F)F AT22541 [0,1,0,0,0,0|3,0,0]=4 50 B6R0.4 FC(F)OCCBr AT14902 [0,1,0,0,0,0|3,0,0]=4 51 B6R0.4 NCCCC(F)F D75977 [0,1,0,0,0,0|3,0,0]=4 52 B6R0.4 NCCOC(F)F AT12486 [0,1,0,0,0,0|3,0,0]=4 53 B6R0.4 NCCSC(F)F AT25569 [0,1,0,0,0,0|3,0,0]=4 54 B6R0.4 OCCOC(F)F 89958 [0,1,0,0,0,0|2,0,0]=3 55 B6R0.5 C#CCC(C)(C)C AT23213 [0,1,0,0,0,0|1,0,1]=3 56 B6R0.5 CC(C)(F)CCN P14068 [0,1,0,0,0,0|1,0,0]=2 57 B6R0.5 CC(C)(F)CCO AT22034 [0,1,0,0,0,0|0,0,0]=1 58 B6R0.5 CC(C)(O)CCCl D86387 [0,1,0,0,0,0|1,0,0]=2 59 B6R0.5 CC(C)(O)CON D75282 [0,1,0,0,0,0|2,0,0]=3 60 B6R0.5 CC(F)(F)CC#N AT12471 [0,1,0,0,0,0|2,0,1]=4 61 B6R0.5 CC(F)(F)CCBr E73229 [0,1,0,0,0,0|2,0,0]=3 62 B6R0.5 C[N+](C)(C)CC=O C77425 [0,1,0,0,0,0|1,0,2]=4 63 B6R0.5 C[Si](C)(C)OCCl AC9008 [0,1,0,0,0,0|2,1,0]=4 64 B6R0.5 [2H]C([2H])(O)CCC D98200 [0,1,0,0,0,0|3,0,0]=4 65 B6R1.2 Br[C@H]1CCNC1 D87521 [0,0,0,1,0,0|2,0,0]=3 66 B6R1.2 CC1=NNCC1 D76466 [0,0,0,1,0,0|2,0,1]=4 67 B6R1.2 CN1CC=CC1 A10777 [0,0,0,1,0,0|2,0,1]=4 68 B6R1.3 NCCN1CC1 P18027 [0,0,0,1,0,0|2,0,0]=3 69 B6R1.3 OCC[C@H]1CO1 D72936 [0,0,0,1,0,0|1,0,0]=2 70 B6R1.3 OCC[C@H]1CO1 D74321 [0,0,0,1,0,0|1,0,0]=2 71 B6R1.5 C[C@H]1C[C@@H](O)C1 P20283 [0,0,0,1,0,0|0,0,0]=1 72 B6R1.5 NC1CC(N)C1 AT13082 [0,0,0,1,0,0|2,0,0]=3 73 B6R1.5 N[C@H]1C[C@@H](N)C1 P12910 [0,0,0,1,0,0|2,0,0]=3 74 B6R1.5 OC1=C[C@@H](F)C1 F18634 [0,0,0,1,0,0|1,0,2]=4 75 B6R1.5 OC1CC(Br)C1 AT17315 [0,0,0,1,0,0|1,0,0]=2 76 B6R1.5 O[C@H]1C[C@@H](Br)C1 AT12399 [0,0,0,1,0,0|1,0,0]=2 77 B6R1.5 O[C@H]1C[C@@H](F)C1 P12413 [0,0,0,1,0,0|1,0,0]=2 78 B6R1.5 O[C@H]1C[C@H](Cl)C1 AT13084 [0,0,0,1,0,0|1,0,0]=2 79 B6R1.8 CC1CC1CN E73335 [0,0,0,1,0,0|1,0,0]=2 80 B6R1.8 COC1CC1N 92032 [0,0,0,1,0,0|3,0,0]=4 81 B6R1.8 CO[C@H]1C[C@@H]1N AT11447 [0,0,0,1,0,0|3,0,0]=4 82 B6R1.8 CO[C@H]1C[C@@H]1N D74325 [0,0,0,1,0,0|3,0,0]=4 83 B6R1.8 C[C@H]1C[C@@H]1C=O AT23548 [0,0,0,1,0,0|0,0,2]=3 84 B6R1.8 C[C@H]1C[C@@H]1CBr 55227 [0,0,0,1,0,0|1,0,0]=2 85 B6R1.8 C[C@H]1C[C@@H]1CBr AT23414 [0,0,0,1,0,0|1,0,0]=2 86 B6R1.8 C[C@H]1C[C@@H]1CBr AT23416 [0,0,0,1,0,0|1,0,0]=2 87 B6R1.8 C[C@H]1C[C@@H]1CN 73150 [0,0,0,1,0,0|1,0,0]=2 88 B6R1.8 C[C@H]1C[C@@H]1CO AT23417 [0,0,0,1,0,0|0,0,0]=1 89 B6R1.8 C[C@H]1C[C@@H]1CO AT23419 [0,0,0,1,0,0|0,0,0]=1 90 B6R1.8 N#C[C@H]1C[C@@H]1F CS3438 [0,0,0,1,0,0|2,0,1]=4 91 B6R1.8 N#C[C@H]1C[C@@H]1F CS3441 [0,0,0,1,0,0|2,0,1]=4 92 B6R1.8 NC1CC1CF AT23905 [0,0,0,1,0,0|2,0,0]=3 93 B6R1.8 N[C@H]1C[C@@H]1CF AT13342 [0,0,0,1,0,0|2,0,0]=3 94 B6R1.8 N[C@H]1C[C@@H]1CF AT23917 [0,0,0,1,0,0|2,0,0]=3 95 B6R1.8 N[C@H]1C[C@@H]1CO AT13340 [0,0,0,1,0,0|1,0,0]=2 96 B6R1.8 N[C@H]1C[C@H]1CF AT23916 [0,0,0,1,0,0|2,0,0]=3 97 B6R1.8 N[C@H]1C[C@H]1CO AT12843 [0,0,0,1,0,0|1,0,0]=2 98 B6R1.8 O=CC1CC1Cl C77400 [0,0,0,1,0,0|1,0,2]=4 99 B6R1.8 OCC1CC1Cl AT20161 [0,0,0,1,0,0|1,0,0]=2 100 B6R1.8 OC[C@@H]1C[C@@H]1F 97730 [0,0,0,1,0,0|1,0,0]=2 101 B6R1.8 OC[C@@H]1C[C@@H]1F CS3456 [0,0,0,1,0,0|1,0,0]=2 102 B6R1.8 OC[C@@H]1C[C@@H]1F CS3462 [0,0,0,1,0,0|1,0,0]=2 103 B6R1.8 OC[C@H]1C[C@@H]1F CS3465 [0,0,0,1,0,0|1,0,0]=2 104 B6R1.9 CC1(C)C[C@@H]1O P19509 [0,0,0,1,0,0|0,0,0]=1 105 B6R1.9 O[C@H]1CC1(F)F F17971 [0,0,0,1,0,0|2,0,0]=3 106 B6R1.10 CC1(C)CCN1 AT11216 [0,0,0,1,0,0|1,0,0]=2 107 B6R1.10 CC1(N)CSC1 P12309 [0,0,0,1,0,0|3,0,0]=4 108 B6R1.11 CC(C)[C@@H]1CO1 AT11291 [0,0,0,1,0,0|0,0,0]=1 109 B6R1.11 CC(C)[C@@H]1CO1 AT11292 [0,0,0,1,0,0|0,0,0]=1 110 B3R0.1 N[13CH2][13CH2]N D98346 [2,0,0,0,0,0|2,0,0]=4 111 B3R0.1 [2H]CCI D99684 [2,0,0,0,0,0|2,0,0]=4 112 B3R0.1 [2H]CCO D98012 [2,0,0,0,0,0|1,0,0]=3 113 B3R0.2 [13CH3][13C](=O)O 41419 [2,0,0,0,0,0|1,0,1]=4 114 B5R0.3 C#C[C@@H](N)CO F30989 [1,1,0,0,0,0|1,0,1]=4 115 B5R0.3 CC[C@H](F)CN D76437 [1,1,0,0,0,0|1,0,0]=3 116 B5R0.3 CC[C@H](N)CF AC5314 [1,1,0,0,0,0|1,0,0]=3 117 B5R0.3 CC[C@H](O)CN D72871 [1,1,0,0,0,0|1,0,0]=3 118 B5R0.3 C[C@@H](CN)CO 70250 [1,1,0,0,0,0|0,0,0]=2 119 B5R0.3 NC[C@H](F)CO AT21905 [1,1,0,0,0,0|1,0,0]=3 120 B5R0.3 NC[C@H](N)CO D75091 [1,1,0,0,0,0|1,0,0]=3 121 B5R0.3 NC[C@H](N)CO D75092 [1,1,0,0,0,0|1,0,0]=3 122 B5R0.3 N[C@@H](CO)CF D75094 [1,1,0,0,0,0|1,0,0]=3 123 B5R0.3 O=C(CO)CBr AC6051 [1,1,0,0,0,0|1,0,1]=4 124 B5R0.3 OC[C@H](O)CF AT22386 [1,1,0,0,0,0|1,0,0]=3 125 B5R0.4 CC(C)(F)C#N D86389 [1,1,0,0,0,0|1,0,1]=4 126 B5R0.4 CC(C)(F)CN F53132 [1,1,0,0,0,0|1,0,0]=3 127 B5R0.4 [2H]C([2H])(Cl)CC D98751 [1,1,0,0,0,0|2,0,0]=4 128 B5R0.5 CC(=O)[C@H](C)N 91521 [1,1,0,0,0,0|1,0,1]=4 129 B5R0.5 CC(C)[C@H](C)N AC5874 [1,1,0,0,0,0|0,0,0]=2 130 B5R0.5 C[C@H](N)C(F)F AT11795 [1,1,0,0,0,0|2,0,0]=4 131 B5R0.5 C[C@H](N)C(F)F AT11796 [1,1,0,0,0,0|2,0,0]=4 132 B5R0.5 C[C@H](N)C(F)F AT11797 [1,1,0,0,0,0|2,0,0]=4 133 B5R0.5 C[C@H](O)[C@@H](C)N E72739 [1,1,0,0,0,0|1,0,0]=3 134 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O D98095 [1,1,0,0,0,0|1,0,1]=4 135 B5R0.2 CCNCCS AT25561 [1,1,0,0,0,0|0,1,0]=3 136 B5R0.2 CCOCC=O AT18655 [1,1,0,0,0,0|0,0,2]=4 137 B5R0.2 CNCCCF AT22549 [1,1,0,0,0,0|1,0,0]=3 138 B5R0.2 CSSCCN AT25568 [1,1,0,0,0,0|2,0,0]=4 139 B5R0.2 NCCCCF D75976 [1,1,0,0,0,0|1,0,0]=3 140 B5R0.2 NCCCCS AT25915 [1,1,0,0,0,0|0,1,0]=3 141 B5R0.2 O=CCCCBr AT24507 [1,1,0,0,0,0|0,0,2]=4 142 B5R0.2 [C-]#[N+]CCSC AT25542 [1,1,0,0,0,0|2,0,0]=4 143 B7R0.2 CC(C)C[C@H](N)CF AC4927 [0,2,0,0,0,0|1,0,0]=3 144 B7R0.2 CN[C@@H](C)CC(=O)O D72538 [0,2,0,0,0,0|0,0,1]=3 145 B7R0.2 C[C@@H](CN)OC(F)F AT14877 [0,2,0,0,0,0|2,0,0]=4 146 B7R0.2 NC[C@@H](F)CC(=O)O AT24734 [0,2,0,0,0,0|1,0,1]=4 147 B7R0.2 N[C@H](CF)CC(=O)O AT24444 [0,2,0,0,0,0|1,0,1]=4 148 B7R0.2 N[C@H](CF)CC(=O)O AT24502 [0,2,0,0,0,0|1,0,1]=4 149 B7R0.2 N[C@H](CF)CC(=O)O AT24503 [0,2,0,0,0,0|1,0,1]=4 150 B7R0.3 C=CCC[C@H](N)CO D75109 [0,2,0,0,0,0|2,0,0]=4 151 B7R0.3 C[C@H](CN)CCCO AC9867 [0,2,0,0,0,0|0,0,0]=2 152 B7R0.3 C\C=C(/C)CCCC T72329 [0,2,0,0,0,0|1,0,1]=4 153 B7R0.3 O=C(CO)NCCO D86391 [0,2,0,0,0,0|1,0,1]=4 154 B7R0.5 N[C@@H](CCO)C(F)F AT24425 [0,2,0,0,0,0|1,0,0]=3 155 B7R0.7 CCC[C@H](O)COC D77523 [0,2,0,0,0,0|2,0,0]=4 156 B7R0.11 C#CCC(C)(C)CO D77144 [0,2,0,0,0,0|1,0,1]=4 157 B7R0.11 CC(C)(CO)CCN AT20761 [0,2,0,0,0,0|1,0,0]=3 158 B7R0.11 CCCC(C)(C)CO A10859 [0,2,0,0,0,0|1,0,0]=3 159 B7R0.11 OCCC(F)(F)CO AT12562 [0,2,0,0,0,0|1,0,0]=3 160 B7R0.9 CC(F)(F)CC(=O)O H11192 [0,2,0,0,0,0|1,0,1]=4 161 B7R0.9 CP(C)(=O)CC(=O)O D76431 [0,2,0,0,0,0|1,0,1]=4 162 B7R0.9 C[C@H](N)CC(F)(F)F AT11787 [0,2,0,0,0,0|2,0,0]=4 163 B7R0.9 C[C@H](N)CC(F)(F)F AT11793 [0,2,0,0,0,0|2,0,0]=4 164 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O AT23378 [0,2,0,0,0,0|1,0,1]=4 165 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O 41455 [0,2,0,0,0,0|1,0,1]=4 166 B7R0.16 C[C@H](F)[C@H](N)C(=O)O E73061 [0,2,0,0,0,0|1,0,1]=4 167 B7R0.16 C[C@H](N)[C@@H](C)C(=O)O 75053 [0,2,0,0,0,0|1,0,1]=4 168 B7R0.13 [2H]C([2H])(C=O)C(C)C D98155 [0,2,0,0,0,0|0,0,2]=4 169 B7R0.14 CC(C)(O)[C@@H](F)CN AT19907 [0,2,0,0,0,0|1,0,0]=3 170 B7R0.14 [2H]C([2H])([2H])[C@@H](C)CO D98631 [0,2,0,0,0,0|2,0,0]=4 171 B7R0.14 [2H]C([2H])([2H])[C@@H](N)CO D98151 [0,2,0,0,0,0|2,0,0]=4 172 B7R0.6 C[C@H](N)CCC(=O)O D75535 [0,2,0,0,0,0|1,0,0]=3 173 B7R0.6 C[C@H](N)COC(F)F AT11802 [0,2,0,0,0,0|2,0,0]=4 174 B7R0.6 C[C@H](N)COC(F)F AT11804 [0,2,0,0,0,0|2,0,0]=4 175 B7R0.6 C[C@H](N)COC(F)F AT14502 [0,2,0,0,0,0|2,0,0]=4 176 B7R0.6 C[C@H](N)COC(F)F AT14505 [0,2,0,0,0,0|2,0,0]=4 177 B7R0.6 C[C@H](N)COC(F)F AT14898 [0,2,0,0,0,0|2,0,0]=4 178 B7R0.6 O=C(O)CCC(F)F P19183 [0,2,0,0,0,0|2,0,0]=4 179 B7R0.8 CC(C)(Cl)CCCCl D86383 [0,2,0,0,0,0|1,0,0]=3 180 B7R0.8 CP(C)(=O)CCCN AT13346 [0,2,0,0,0,0|2,0,0]=4 181 B7R0.8 CP(C)(=O)CCCN AT13377 [0,2,0,0,0,0|2,0,0]=4 182 B7R0.8 CS(C)(=O)=NCCN AT25739 [0,2,0,0,0,0|2,0,0]=4 183 B5R1.2 C[C@H]1CCN1 S11047 [1,0,0,1,0,0|1,0,0]=3 184 B5R1.2 SC1CCC1 AT12396 [1,0,0,1,0,0|1,0,0]=3 185 B5R1.2 [18F]C1CNC1 AT24717 [1,0,0,1,0,0|2,0,0]=4 186 B5R1.4 CC1CC1Br AT22556 [1,0,0,1,0,0|1,0,0]=3 187 B5R1.4 C[C@@H]1C[C@@H]1N AT26073 [1,0,0,1,0,0|1,0,0]=3 188 B5R1.4 C[C@H]1C[C@@H]1N AT11455 [1,0,0,1,0,0|1,0,0]=3 189 B5R1.4 C[C@H]1C[C@@H]1N AT11456 [1,0,0,1,0,0|1,0,0]=3 190 B5R1.4 FC1CC1Br CS2874 [1,0,0,1,0,0|2,0,0]=4 191 B5R1.4 NC1CC1F P19355 [1,0,0,1,0,0|2,0,0]=4 192 B5R1.4 NC1CC1N AC7084 [1,0,0,1,0,0|2,0,0]=4 193 B5R1.4 NC1CC1O 92033 [1,0,0,1,0,0|1,0,0]=3 194 B5R1.4 N[C@H]1C[C@@H]1N AC9805 [1,0,0,1,0,0|2,0,0]=4 195 B5R1.4 N[C@H]1C[C@H]1N AT11451 [1,0,0,1,0,0|2,0,0]=4 196 B5R1.5 CC1(Br)CC1 P15914 [1,0,0,1,0,0|1,0,0]=3 197 B5R1.5 NC1(O)CC1 92035 [1,0,0,1,0,0|2,0,0]=4 198 B7R1.1 C#C[C@H]1CCNC1 D72931 [0,1,0,1,0,0|1,0,1]=4 199 B7R1.1 C#C[C@H]1CCOC1 AT10097 [0,1,0,1,0,0|0,0,1]=3 200 B7R1.1 C#C[C@H]1CCOC1 AT10098 [0,1,0,1,0,0|0,0,1]=3 201 B7R1.1 CC[C@H]1CCCN1 RB4030 [0,1,0,1,0,0|2,0,0]=4 202 B7R1.1 FC[C@H]1CCCN1 P12557 [0,1,0,1,0,0|2,0,0]=4 203 B7R1.1 FC[C@H]1CCNC1 AT23179 [0,1,0,1,0,0|1,0,0]=3 204 B7R1.1 NC[C@@H]1C=CCC1 E73245 [0,1,0,1,0,0|1,0,1]=4 205 B7R1.1 NO[C@H]1CCOC1 97657 [0,1,0,1,0,0|1,0,0]=3 206 B7R1.1 O=C[C@H]1CCOC1 58457 [0,1,0,1,0,0|0,0,1]=3 207 B7R1.1 O=C[C@H]1CCOC1 58458 [0,1,0,1,0,0|0,0,1]=3 208 B7R1.1 OCC1=NOCC1 92945 [0,1,0,1,0,0|1,0,1]=4 209 B7R1.1 OC[C@H]1CCON1 AT14857 [0,1,0,1,0,0|1,0,0]=3 210 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13012 [0,1,0,1,0,0|0,0,0]=2 211 B7R1.2 C[C@H]1CC(=O)CN1 AT25616 [0,1,0,1,0,0|0,0,2]=4 212 B7R1.2 C[C@H]1CC(=O)CN1 AT25617 [0,1,0,1,0,0|0,0,2]=4 213 B7R1.2 C[C@H]1CC(=O)CN1 AT25618 [0,1,0,1,0,0|0,0,2]=4 214 B7R1.2 C[C@H]1CC(=O)CN1 C92326 [0,1,0,1,0,0|0,0,2]=4 215 B7R1.2 C[C@H]1CC(=O)CN1 C92327 [0,1,0,1,0,0|0,0,2]=4 216 B7R1.2 C[C@H]1CC[C@H](C)N1 32834 [0,1,0,1,0,0|2,0,0]=4 217 B7R1.2 C[C@H]1C[C@@H](C)CN1 87739 [0,1,0,1,0,0|1,0,0]=3 218 B7R1.2 C[C@H]1C[C@@H](C)CN1 87744 [0,1,0,1,0,0|1,0,0]=3 219 B7R1.2 C[C@H]1C[C@H](O)CN1 F13847 [0,1,0,1,0,0|0,0,0]=2 220 B7R1.2 NC1CCC(F)C1 E72865 [0,1,0,1,0,0|2,0,0]=4 221 B7R1.2 N[C@@H]1CC[C@H](F)C1 W15419 [0,1,0,1,0,0|2,0,0]=4 222 B7R1.2 N[C@@H]1CC[C@H](F)C1 W19686 [0,1,0,1,0,0|2,0,0]=4 223 B7R1.2 N[C@H]1CC[C@H](F)C1 73245 [0,1,0,1,0,0|2,0,0]=4 224 B7R1.3 C[C@H]1CNCCS1 AT10752 [0,1,0,1,0,0|1,0,0]=3 225 B7R1.3 C[C@H]1CSCCN1 AT10757 [0,1,0,1,0,0|0,1,0]=3 226 B7R1.3 N[C@@H]1CC=CCC1 AT10535 [0,1,0,1,0,0|2,0,0]=4 227 B7R1.3 N[C@@H]1CC=CCC1 AT10537 [0,1,0,1,0,0|2,0,0]=4 228 B7R1.3 N[C@@H]1CCCCN1 F13375 [0,1,0,1,0,0|2,0,0]=4 229 B7R1.4 CC1CNCC1N AT23640 [0,1,0,1,0,0|1,0,0]=3 230 B7R1.4 CC1NCCC1O 94946 [0,1,0,1,0,0|2,0,0]=4 231 B7R1.4 CC1NCCC1O AT22499 [0,1,0,1,0,0|2,0,0]=4 232 B7R1.4 C[C@@H]1COC[C@@H]1O 73075 [0,1,0,1,0,0|0,0,0]=2 233 B7R1.4 C[C@@H]1NCC[C@@H]1O AT22514 [0,1,0,1,0,0|2,0,0]=4 234 B7R1.4 C[C@@H]1NCC[C@@H]1O C90248 [0,1,0,1,0,0|2,0,0]=4 235 B7R1.4 C[C@H]1CCNC1=O D72756 [0,1,0,1,0,0|1,0,1]=4 236 B7R1.4 C[C@H]1CNC[C@@H]1N AT23637 [0,1,0,1,0,0|1,0,0]=3 237 B7R1.4 C[C@H]1CNC[C@@H]1N AT23638 [0,1,0,1,0,0|1,0,0]=3 238 B7R1.4 C[C@H]1CNC[C@@H]1N AT23639 [0,1,0,1,0,0|1,0,0]=3 239 B7R1.4 C[C@H]1CNC[C@@H]1O P12669 [0,1,0,1,0,0|1,0,0]=3 240 B7R1.4 C[C@H]1COC[C@@H]1N D72913 [0,1,0,1,0,0|0,0,0]=2 241 B7R1.4 C[C@H]1CONC1=O D73580 [0,1,0,1,0,0|1,0,1]=4 242 B7R1.4 C[C@H]1NCC[C@@H]1O AT23994 [0,1,0,1,0,0|2,0,0]=4 243 B7R1.4 NC1COCC1F E72312 [0,1,0,1,0,0|1,0,0]=3 244 B7R1.4 N[C@@H]1CNC[C@@H]1F D75765 [0,1,0,1,0,0|2,0,0]=4 245 B7R1.4 N[C@@H]1COC[C@@H]1F D72819 [0,1,0,1,0,0|1,0,0]=3 246 B7R1.4 N[C@@H]1CSC[C@@H]1O D72825 [0,1,0,1,0,0|1,1,0]=4 247 B7R1.4 N[C@H]1CCC[C@H]1N F16268 [0,1,0,1,0,0|2,0,0]=4 248 B7R1.4 N[C@H]1COC[C@@H]1O AT26726 [0,1,0,1,0,0|1,0,0]=3 249 B7R1.4 N[C@H]1CSC[C@@H]1O D72826 [0,1,0,1,0,0|1,1,0]=4 250 B7R1.5 CCC[C@@H]1ON1C C11697 [0,1,0,1,0,0|2,0,0]=4 251 B7R1.5 CCO[C@H]1C[C@@H]1N AT11448 [0,1,0,1,0,0|2,0,0]=4 252 B7R1.6 NCCC1CNC1 AC9109 [0,1,0,1,0,0|1,0,0]=3 253 B7R1.8 NC[C@H]1CC[C@@H]1O AT20432 [0,1,0,1,0,0|2,0,0]=4 254 B7R1.8 OC[C@@H]1CC[C@@H]1O P19439 [0,1,0,1,0,0|1,0,0]=3 255 B7R1.9 C#CC1CC1CO 70206 [0,1,0,1,0,0|0,0,1]=3 256 B7R1.9 NC[C@H]1C[C@@H]1CO AT20739 [0,1,0,1,0,0|0,0,0]=2 257 B7R1.9 OC[C@H]1C[C@@H]1CO AT12393 [0,1,0,1,0,0|0,0,0]=2 258 B7R1.10 C#CC1CC(F)C1 94350 [0,1,0,1,0,0|1,0,1]=4 259 B7R1.10 CC1CC(CBr)C1 57439 [0,1,0,1,0,0|1,0,0]=3 260 B7R1.10 CC1CC(CO)C1 57437 [0,1,0,1,0,0|0,0,0]=2 261 B7R1.10 CN[C@H]1C[C@H](O)C1 P15672 [0,1,0,1,0,0|0,0,0]=2 262 B7R1.10 CO[C@H]1C[C@@H](N)C1 P15668 [0,1,0,1,0,0|1,0,0]=3 263 B7R1.10 CO[C@H]1C[C@H](N)C1 P12378 [0,1,0,1,0,0|1,0,0]=3 264 B7R1.10 CSC1CC(=O)C1 AT20150 [0,1,0,1,0,0|0,0,2]=4 265 B7R1.10 CSC1CC(O)C1 AT20178 [0,1,0,1,0,0|0,0,0]=2 266 B7R1.10 CS[C@H]1C[C@@H](O)C1 AT20156 [0,1,0,1,0,0|0,0,0]=2 267 B7R1.10 CS[C@H]1C[C@H](N)C1 AT20163 [0,1,0,1,0,0|1,0,0]=3 268 B7R1.10 NC1CC(CO)C1 P10843 [0,1,0,1,0,0|1,0,0]=3 269 B7R1.10 OC[C@H]1C[C@H](F)C1 AT26788 [0,1,0,1,0,0|1,0,0]=3 270 B7R1.21 CC1(CCN)N=N1 AT11951 [0,1,0,1,0,0|2,0,0]=4 271 B7R1.21 CC1(CCN)N=N1 D72372 [0,1,0,1,0,0|2,0,0]=4 272 B7R1.21 COCC1(N)CC1 AT11799 [0,1,0,1,0,0|2,0,0]=4 273 B7R1.21 COCC1(O)CC1 D72925 [0,1,0,1,0,0|2,0,0]=4 274 B7R1.21 NC1(CCO)CC1 P12555 [0,1,0,1,0,0|0,0,0]=2 275 B7R1.21 NCCC1(O)CC1 AT11469 [0,1,0,1,0,0|1,0,0]=3 276 B7R1.21 O=CCC1(F)CC1 AT21838 [0,1,0,1,0,0|0,0,2]=4 277 B7R1.22 OC[C@H](F)C1CC1 P14038 [0,1,0,1,0,0|0,0,0]=2 278 B7R1.25 CC1(CN)CCC1 P11843 [0,1,0,1,0,0|1,0,0]=3 279 B7R1.25 C[C@]1(CO)CCN1 P12582 [0,1,0,1,0,0|1,0,0]=3 280 B7R1.25 NCC1(F)CCC1 D72737 [0,1,0,1,0,0|2,0,0]=4 281 B7R1.25 NCC1(N)CCC1 O10312 [0,1,0,1,0,0|2,0,0]=4 282 B7R1.27 CO[C@@]1(C)C[C@H]1N AT11449 [0,1,0,1,0,0|1,0,0]=3 283 B7R1.12 CC1CC1B(O)O AT22555 [0,1,0,1,0,0|1,0,0]=3 284 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12316 [0,1,0,1,0,0|0,0,1]=3 285 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12373 [0,1,0,1,0,0|0,0,1]=3 286 B7R1.12 O=C(O)[C@@H]1C[C@@H]1Br E73137 [0,1,0,1,0,0|1,0,1]=4 287 B7R1.12 O=C(O)[C@H]1C[C@@H]1I CS3435 [0,1,0,1,0,0|1,0,1]=4 288 B7R1.16 CC1(F)CC(N)C1 P14355 [0,1,0,1,0,0|1,0,0]=3 289 B7R1.16 CC1(O)CC(=O)C1 AT22537 [0,1,0,1,0,0|0,0,2]=4 290 B7R1.16 CC1(O)CC(O)C1 AT22536 [0,1,0,1,0,0|0,0,0]=2 291 B7R1.16 CN1CC(C)(N)C1 AT13379 [0,1,0,1,0,0|2,0,0]=4 292 B7R1.16 C[C@H]1CC(C)(C)N1 D86024 [0,1,0,1,0,0|1,0,0]=3 293 B7R1.16 C[C@]1(O)C[C@H](N)C1 P13186 [0,1,0,1,0,0|1,0,0]=3 294 B7R1.16 NC1CC(Cl)(Cl)C1 E73347 [0,1,0,1,0,0|2,0,0]=4 295 B7R1.20 NC(=O)CC1CC1 D72924 [0,1,0,1,0,0|0,0,2]=4 296 B7R1.17 CC1(C)CCC1=O P17178 [0,1,0,1,0,0|0,0,1]=3 297 B7R1.17 CC1(C)CNC1=O D72852 [0,1,0,1,0,0|0,0,2]=4 298 B7R1.17 CC1(C)NC[C@@H]1F AT24724 [0,1,0,1,0,0|1,0,0]=3 299 B7R1.17 CC1(C)NC[C@@H]1N P12469 [0,1,0,1,0,0|1,0,0]=3 300 B7R1.17 CC1(C)NC[C@@H]1N P19365 [0,1,0,1,0,0|1,0,0]=3 301 B7R1.17 CC1(C)OCC1=O P17179 [0,1,0,1,0,0|0,0,1]=3 302 B7R1.17 CC1(C)SC[C@@H]1N E72936 [0,1,0,1,0,0|0,1,0]=3 303 B7R1.17 C[C@]1(O)CC[C@@H]1N AT11409 [0,1,0,1,0,0|2,0,0]=4 304 B7R1.18 C[C@H](N)C1COC1 79834 [0,1,0,1,0,0|1,0,0]=3 305 B7R1.18 C[C@H](N)C1COC1 79837 [0,1,0,1,0,0|1,0,0]=3 306 B7R1.18 C[C@H](O)C1CNC1 E73194 [0,1,0,1,0,0|2,0,0]=4 307 B7R1.19 C[C@H](N)C1(C)CC1 D77547 [0,1,0,1,0,0|2,0,0]=4 308 B7R1.23 CC1(C)O[C@H]1CBr AC8137 [0,1,0,1,0,0|1,0,0]=3 309 B7R1.7 OCCOC1CC1 AT11518 [0,1,0,1,0,0|0,0,0]=2 310 B7R1.14 CC1(C)C=CCC1 AC8462 [0,1,0,1,0,0|1,0,0]=3 311 B7R1.14 C[C@]1(F)CCNC1 P12925 [0,1,0,1,0,0|1,0,0]=3 312 B7R1.14 C[C@]1(N)CCNC1 F13099 [0,1,0,1,0,0|1,0,0]=3 313 B7R1.14 C[C@]1(N)CCNC1 F14416 [0,1,0,1,0,0|1,0,0]=3 314 B7R1.26 [2H]C([2H])([2H])[C@@H]1CO1 D99667 [0,1,0,1,0,0|2,0,0]=4 315 B7R2.11 C1NC2CC1C2 P12110 [0,0,0,2,0,0|1,0,0]=3 316 B7R2.13 C1CC2NC2C1 AT21516 [0,0,0,2,0,0|2,0,0]=4 317 B7R2.13 C1C[C@@H]2C[C@@H]2N1 D72941 [0,0,0,2,0,0|1,0,0]=3 318 B7R2.13 C1C[C@@H]2C[C@@H]2N1 D75836 [0,0,0,2,0,0|1,0,0]=3 319 B7R2.3 N[C@H]1CC12CC2 AT11454 [0,0,0,2,0,0|1,0,0]=3 320 B7R2.16 C1CC2(CC2)N1 AT24287 [0,0,0,2,0,0|1,0,0]=3 321 B7R2.5 BrC12CC(C1)C2 H11101 [0,0,0,2,0,0|1,0,0]=3 322 B7R2.5 OC12CC(C1)C2 P20399 [0,0,0,2,0,0|0,0,0]=2 323 B7R2.5 SC12CC(C1)C2 AT13937 [0,0,0,2,0,0|0,1,0]=3