0 B6R0.1 C#CC[C@H](O)CO D74768 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 C=CC[C@H](N)CF AT24441 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 C=CC[C@H](O)CN AT10909 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 C=CC[C@H](O)CN AT10910 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 CCC[C@H](N)CF AC5307 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.1 CCC[C@H](N)CF AC7092 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.1 CC[C@H](N)CCO AT14304 [0,0,0,0,0,0|1,0,0]=1 7 B6R0.1 CC[C@H](N)CCO AT22343 [0,0,0,0,0,0|1,0,0]=1 8 B6R0.1 CC[C@H](N)CCO AT22346 [0,0,0,0,0,0|1,0,0]=1 9 B6R0.1 CC[C@H](O)CON AT14514 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.1 CNC[C@H](O)CF AT22540 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.1 COC[C@@H](F)CN P20360 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.1 COC[C@@H](N)CO 91278 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.1 COC[C@@H](N)CO D75105 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.1 COC[C@@H](N)CO D75106 [0,0,0,0,0,0|4,0,0]=4 15 B6R0.1 N[C@H](CF)CCO AT24448 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.1 N[C@H](CO)CCF E72842 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.1 N[C@H](CO)CCO D75100 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.1 OCC[C@H](O)CCl AT21895 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.1 BrCCC(Br)Br AT23421 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.1 CNC[C@H](C)O C77457 [1,0,0,0,0,0|3,0,0]=4 21 B5R0.1 C[C@H](F)CCN D76461 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.1 C[C@H](N)CCF AT11794 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.1 C[C@H](O)CCN D77178 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.1 C[S@](=O)CCN AT24515 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 FC(F)CCBr AT23420 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.2 CCNCCS AT25561 [1,0,0,0,0,0|1,1,0]=3 27 B5R0.2 CCOCC=O AT18655 [1,0,0,0,0,0|1,0,2]=4 28 B5R0.2 CNCCCF AT22549 [1,0,0,0,0,0|2,0,0]=3 29 B5R0.2 CSSCCN AT25568 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.2 NCCCCF D75976 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.2 NCCCCS AT25915 [1,0,0,0,0,0|1,1,0]=3 32 B5R0.2 O=CCCCBr AT24507 [1,0,0,0,0,0|1,0,2]=4 33 B5R0.2 [C-]#[N+]CCSC AT25542 [1,0,0,0,0,0|3,0,0]=4 34 B5R0.3 C#C[C@@H](N)CO F30989 [1,0,0,0,0,0|1,0,2]=4 35 B5R0.3 CC[C@H](F)CN D76437 [1,0,0,0,0,0|2,0,0]=3 36 B5R0.3 CC[C@H](N)CF AC5314 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.3 CC[C@H](O)CN D72871 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.3 C[C@@H](CN)CO 70250 [1,0,0,0,0,0|1,0,0]=2 39 B5R0.3 NC[C@H](F)CO AT21905 [1,0,0,0,0,0|2,0,0]=3 40 B5R0.3 NC[C@H](N)CO D75091 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.3 NC[C@H](N)CO D75092 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.3 N[C@@H](CO)CF D75094 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.3 O=C(CO)CBr AC6051 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.3 OC[C@H](O)CF AT22386 [1,0,0,0,0,0|2,0,0]=3 45 B7R0.2 CC(C)C[C@H](N)CF AC4927 [0,1,0,0,0,0|3,0,0]=4 46 B7R0.2 CN[C@@H](C)CC(=O)O D72538 [0,1,0,0,0,0|1,0,1]=3 47 B7R0.2 C[C@@H](CN)OC(F)F AT14877 [0,1,0,0,0,0|3,0,0]=4 48 B7R0.2 NC[C@@H](F)CC(=O)O AT24734 [0,1,0,0,0,0|2,0,1]=4 49 B7R0.2 N[C@H](CF)CC(=O)O AT24444 [0,1,0,0,0,0|2,0,1]=4 50 B7R0.2 N[C@H](CF)CC(=O)O AT24502 [0,1,0,0,0,0|2,0,1]=4 51 B7R0.2 N[C@H](CF)CC(=O)O AT24503 [0,1,0,0,0,0|2,0,1]=4 52 B7R0.3 C=CCC[C@H](N)CO D75109 [0,1,0,0,0,0|3,0,0]=4 53 B7R0.3 C[C@H](CN)CCCO AC9867 [0,1,0,0,0,0|1,0,0]=2 54 B7R0.3 C\C=C(/C)CCCC T72329 [0,1,0,0,0,0|1,0,2]=4 55 B7R0.3 O=C(CO)NCCO D86391 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.5 N[C@@H](CCO)C(F)F AT24425 [0,1,0,0,0,0|2,0,0]=3 57 B7R0.7 C#CC[C@H](N)COC AT12986 [0,1,0,0,0,0|2,0,1]=4 58 B7R0.7 CCC[C@H](O)COC D77523 [0,1,0,0,0,0|2,0,0]=3 59 B7R0.7 COCC(Cl)COC D74903 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.11 C#CCC(C)(C)CO D77144 [0,1,0,0,0,0|2,0,1]=4 61 B7R0.11 CC(C)(CO)CCN AT20761 [0,1,0,0,0,0|2,0,0]=3 62 B7R0.11 CCCC(C)(C)CO A10859 [0,1,0,0,0,0|2,0,0]=3 63 B7R0.11 OCCC(F)(F)CO AT12562 [0,1,0,0,0,0|2,0,0]=3 64 B7R1.1 C#C[C@H]1CCNC1 D72931 [0,0,0,1,0,0|1,0,2]=4 65 B7R1.1 C#C[C@H]1CCOC1 AT10097 [0,0,0,1,0,0|0,0,2]=3 66 B7R1.1 C#C[C@H]1CCOC1 AT10098 [0,0,0,1,0,0|0,0,2]=3 67 B7R1.1 CC[C@H]1CCCN1 RB4030 [0,0,0,1,0,0|2,0,0]=3 68 B7R1.1 FC[C@H]1CCCN1 P12557 [0,0,0,1,0,0|3,0,0]=4 69 B7R1.1 FC[C@H]1CCNC1 AT23179 [0,0,0,1,0,0|2,0,0]=3 70 B7R1.1 NC[C@@H]1C=CCC1 E73245 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.1 NO[C@H]1CCOC1 97657 [0,0,0,1,0,0|2,0,0]=3 72 B7R1.1 O=C[C@H]1CCOC1 58457 [0,0,0,1,0,0|1,0,1]=3 73 B7R1.1 O=C[C@H]1CCOC1 58458 [0,0,0,1,0,0|1,0,1]=3 74 B7R1.1 OCC1=NOCC1 92945 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.1 OC[C@H]1CCON1 AT14857 [0,0,0,1,0,0|2,0,0]=3 76 B7R1.2 C[C@@H]1C[C@H](O)CN1 F13012 [0,0,0,1,0,0|1,0,0]=2 77 B7R1.2 C[C@H]1CC(=O)CN1 AT25616 [0,0,0,1,0,0|1,0,2]=4 78 B7R1.2 C[C@H]1CC(=O)CN1 AT25617 [0,0,0,1,0,0|1,0,2]=4 79 B7R1.2 C[C@H]1CC(=O)CN1 AT25618 [0,0,0,1,0,0|1,0,2]=4 80 B7R1.2 C[C@H]1CC(=O)CN1 C92326 [0,0,0,1,0,0|1,0,2]=4 81 B7R1.2 C[C@H]1CC(=O)CN1 C92327 [0,0,0,1,0,0|1,0,2]=4 82 B7R1.2 C[C@H]1CC[C@H](C)N1 32834 [0,0,0,1,0,0|2,0,0]=3 83 B7R1.2 C[C@H]1C[C@@H](C)CN1 87739 [0,0,0,1,0,0|2,0,0]=3 84 B7R1.2 C[C@H]1C[C@@H](C)CN1 87744 [0,0,0,1,0,0|2,0,0]=3 85 B7R1.2 C[C@H]1C[C@H](O)CN1 F13847 [0,0,0,1,0,0|1,0,0]=2 86 B7R1.2 NC1CCC(F)C1 E72865 [0,0,0,1,0,0|2,0,0]=3 87 B7R1.2 N[C@@H]1CC[C@H](F)C1 W15419 [0,0,0,1,0,0|2,0,0]=3 88 B7R1.2 N[C@@H]1CC[C@H](F)C1 W19686 [0,0,0,1,0,0|2,0,0]=3 89 B7R1.2 N[C@H]1CC[C@H](F)C1 73245 [0,0,0,1,0,0|2,0,0]=3 90 B7R1.3 C=C1CCNCC1 D77655 [0,0,0,1,0,0|1,0,2]=4 91 B7R1.3 C[C@H]1CNCCS1 AT10752 [0,0,0,1,0,0|3,0,0]=4 92 B7R1.3 C[C@H]1CSCCN1 AT10757 [0,0,0,1,0,0|3,0,0]=4 93 B7R1.3 N[C@@H]1CC=CCC1 AT10535 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.3 N[C@@H]1CC=CCC1 AT10537 [0,0,0,1,0,0|2,0,1]=4 95 B7R1.3 N[C@@H]1CCCCN1 F13375 [0,0,0,1,0,0|3,0,0]=4 96 B7R1.4 CC1CNCC1N AT23640 [0,0,0,1,0,0|3,0,0]=4 97 B7R1.4 CC1NCCC1O 94946 [0,0,0,1,0,0|2,0,0]=3 98 B7R1.4 CC1NCCC1O AT22499 [0,0,0,1,0,0|2,0,0]=3 99 B7R1.4 C[C@@H]1COC[C@@H]1O 73075 [0,0,0,1,0,0|3,0,0]=4 100 B7R1.4 C[C@@H]1NCCC1=O AT25613 [0,0,0,1,0,0|2,0,1]=4 101 B7R1.4 C[C@@H]1NCC[C@@H]1O AT22514 [0,0,0,1,0,0|2,0,0]=3 102 B7R1.4 C[C@@H]1NCC[C@@H]1O C90248 [0,0,0,1,0,0|2,0,0]=3 103 B7R1.4 C[C@H]1CCNC1=O D72756 [0,0,0,1,0,0|2,0,1]=4 104 B7R1.4 C[C@H]1CNC[C@@H]1N AT23637 [0,0,0,1,0,0|3,0,0]=4 105 B7R1.4 C[C@H]1CNC[C@@H]1N AT23638 [0,0,0,1,0,0|3,0,0]=4 106 B7R1.4 C[C@H]1CNC[C@@H]1N AT23639 [0,0,0,1,0,0|3,0,0]=4 107 B7R1.4 C[C@H]1CNC[C@@H]1O P12669 [0,0,0,1,0,0|3,0,0]=4 108 B7R1.4 C[C@H]1COC[C@@H]1N D72913 [0,0,0,1,0,0|3,0,0]=4 109 B7R1.4 C[C@H]1NCC[C@@H]1O AT23994 [0,0,0,1,0,0|2,0,0]=3 110 B7R1.4 N[C@H]1CCC[C@H]1N F16268 [0,0,0,1,0,0|3,0,0]=4 111 B7R1.5 CCC[C@@H]1ON1C C11697 [0,0,0,1,0,0|3,0,0]=4 112 B7R1.5 CCO[C@H]1C[C@@H]1N AT11448 [0,0,0,1,0,0|3,0,0]=4 113 B7R1.6 NCCC1CNC1 AC9109 [0,0,0,1,0,0|2,0,0]=3 114 B7R1.8 COC1CCC1N AT20027 [0,0,0,1,0,0|3,0,0]=4 115 B7R1.8 CO[C@H]1CC[C@@H]1N AT20051 [0,0,0,1,0,0|3,0,0]=4 116 B7R1.8 CO[C@H]1CC[C@@H]1N AT20055 [0,0,0,1,0,0|3,0,0]=4 117 B7R1.8 CO[C@H]1CC[C@H]1N AT20049 [0,0,0,1,0,0|3,0,0]=4 118 B7R1.8 CO[C@H]1CC[C@H]1N AT20056 [0,0,0,1,0,0|3,0,0]=4 119 B7R1.8 CO[C@H]1CC[C@H]1N AT20057 [0,0,0,1,0,0|3,0,0]=4 120 B7R1.8 NC[C@H]1CC[C@@H]1O AT20432 [0,0,0,1,0,0|2,0,0]=3 121 B7R1.8 OC[C@@H]1CC[C@@H]1O P19439 [0,0,0,1,0,0|1,0,0]=2 122 B7R1.9 C#CC1CC1CO 70206 [0,0,0,1,0,0|0,0,2]=3 123 B7R1.9 NC[C@H]1C[C@@H]1CO AT20739 [0,0,0,1,0,0|1,0,0]=2 124 B7R1.9 OC[C@H]1C[C@@H]1CO AT12393 [0,0,0,1,0,0|1,0,0]=2 125 B7R1.10 C#CC1CC(F)C1 94350 [0,0,0,1,0,0|1,0,2]=4 126 B7R1.10 CC1CC(CBr)C1 57439 [0,0,0,1,0,0|2,0,0]=3 127 B7R1.10 CC1CC(CO)C1 57437 [0,0,0,1,0,0|2,0,0]=3 128 B7R1.10 CN[C@H]1C[C@H](O)C1 P15672 [0,0,0,1,0,0|1,0,0]=2 129 B7R1.10 CO[C@H]1C[C@@H](N)C1 P15668 [0,0,0,1,0,0|2,0,0]=3 130 B7R1.10 CO[C@H]1C[C@H](N)C1 P12378 [0,0,0,1,0,0|2,0,0]=3 131 B7R1.10 CSC1CC(=O)C1 AT20150 [0,0,0,1,0,0|1,0,2]=4 132 B7R1.10 CSC1CC(O)C1 AT20178 [0,0,0,1,0,0|1,0,0]=2 133 B7R1.10 CS[C@H]1C[C@@H](O)C1 AT20156 [0,0,0,1,0,0|1,0,0]=2 134 B7R1.10 CS[C@H]1C[C@H](N)C1 AT20163 [0,0,0,1,0,0|2,0,0]=3 135 B7R1.10 NC1CC(CO)C1 P10843 [0,0,0,1,0,0|2,0,0]=3 136 B7R1.10 OC[C@H]1C[C@H](F)C1 AT26788 [0,0,0,1,0,0|2,0,0]=3 137 B7R1.21 CC1(CCN)N=N1 AT11951 [0,0,0,1,0,0|3,0,0]=4 138 B7R1.21 CC1(CCN)N=N1 D72372 [0,0,0,1,0,0|3,0,0]=4 139 B7R1.21 COCC1(N)CC1 AT11799 [0,0,0,1,0,0|3,0,0]=4 140 B7R1.21 COCC1(O)CC1 D72925 [0,0,0,1,0,0|3,0,0]=4 141 B7R1.21 NC1(CCO)CC1 P12555 [0,0,0,1,0,0|1,0,0]=2 142 B7R1.21 NCCC1(O)CC1 AT11469 [0,0,0,1,0,0|2,0,0]=3 143 B7R1.21 O=CCC1(F)CC1 AT21838 [0,0,0,1,0,0|1,0,2]=4 144 B7R1.22 OC[C@H](F)C1CC1 P14038 [0,0,0,1,0,0|3,0,0]=4 145 B7R1.25 CC1(CN)CCC1 P11843 [0,0,0,1,0,0|2,0,0]=3 146 B7R1.25 C[C@]1(CO)CCN1 P12582 [0,0,0,1,0,0|2,0,0]=3 147 B7R1.25 NCC1(F)CCC1 D72737 [0,0,0,1,0,0|3,0,0]=4 148 B7R1.25 NCC1(N)CCC1 O10312 [0,0,0,1,0,0|3,0,0]=4 149 B7R1.27 CC[C@]1(C)ON1C C11698 [0,0,0,1,0,0|3,0,0]=4 150 B7R1.27 CO[C@@]1(C)C[C@H]1N AT11449 [0,0,0,1,0,0|2,0,0]=3 151 B4R0.1 [2H][C@@H](C)CO D98056 [2,0,0,0,0,0|1,0,0]=3 152 B6R0.2 CC(N)CC(C)O AT23544 [1,1,0,0,0,0|1,0,0]=3 153 B6R0.2 C[C@H](N)CN(C)C AT11416 [1,1,0,0,0,0|2,0,0]=4 154 B6R0.3 CC(C)[C@@H](F)CO AT16234 [1,1,0,0,0,0|0,0,0]=2 155 B6R0.3 CC(C)[C@@H](N)CF AC4773 [1,1,0,0,0,0|1,0,0]=3 156 B6R0.3 CC(C)[C@@H](N)CF AC5313 [1,1,0,0,0,0|1,0,0]=3 157 B6R0.3 CC(C)[C@@H](N)CF AC7091 [1,1,0,0,0,0|1,0,0]=3 158 B6R0.3 CC(C)[C@@H](N)CO AT21568 [1,1,0,0,0,0|0,0,0]=2 159 B6R0.3 N[C@@H](CO)C(F)F 92934 [1,1,0,0,0,0|2,0,0]=4 160 B6R0.3 N[C@@H](CO)C(F)F 92936 [1,1,0,0,0,0|2,0,0]=4 161 B6R0.3 N[C@@H](CO)C(F)F C93218 [1,1,0,0,0,0|2,0,0]=4 162 B6R0.3 N[C@@H](CO)C(F)F C93220 [1,1,0,0,0,0|2,0,0]=4 163 B6R0.3 OC[C@H](O)C(F)F AT21961 [1,1,0,0,0,0|2,0,0]=4 164 B6R0.4 OCCOC(F)F 89958 [1,1,0,0,0,0|2,0,0]=4 165 B6R0.5 C#CCC(C)(C)C AT23213 [1,1,0,0,0,0|1,0,1]=4 166 B6R0.5 CC(C)(F)CCN P14068 [1,1,0,0,0,0|1,0,0]=3 167 B6R0.5 CC(C)(F)CCO AT22034 [1,1,0,0,0,0|0,0,0]=2 168 B6R0.5 CC(C)(O)CCCl D86387 [1,1,0,0,0,0|1,0,0]=3 169 B6R0.5 CC(C)(O)CON D75282 [1,1,0,0,0,0|2,0,0]=4 170 B6R0.5 CC(F)(F)CCBr E73229 [1,1,0,0,0,0|2,0,0]=4 171 B6R0.6 COCOCCN AC9200 [1,1,0,0,0,0|2,0,0]=4 172 B6R0.6 Cl[13CH2][13CH2]N[13CH2][13CH2]Cl AT23538 [1,1,0,0,0,0|2,0,0]=4 173 B6R0.6 NCCOCCS AT12749 [1,1,0,0,0,0|1,1,0]=4 174 B6R0.6 NNCCCCO AB9420 [1,1,0,0,0,0|1,0,0]=3 175 B6R0.8 C=C[C@@](C)(N)CO D75096 [1,1,0,0,0,0|0,0,2]=4 176 B6R0.8 CC(C)(CO)CF AT13782 [1,1,0,0,0,0|1,0,0]=3 177 B6R0.8 CCC(C)(C)NN W10660 [1,1,0,0,0,0|2,0,0]=4 178 B6R0.8 CCC(F)(F)CBr E73059 [1,1,0,0,0,0|2,0,0]=4 179 B6R0.8 CCC(F)(F)CO C90212 [1,1,0,0,0,0|1,0,0]=3 180 B6R0.8 CCS(=N)(=O)CC AT25733 [1,1,0,0,0,0|2,0,0]=4 181 B6R0.8 C[C@@](N)(C#N)CO D75095 [1,1,0,0,0,0|1,0,1]=4 182 B6R0.9 NCC(CO)CO AT26702 [1,1,0,0,0,0|1,0,0]=3 183 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O D76826 [0,2,0,0,0,0|0,0,1]=3 184 B8R0.2 CC[C@H](C)[C@H]([15NH2])C(=O)O 41457 [0,2,0,0,0,0|0,0,1]=3 185 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O AT10680 [0,2,0,0,0,0|1,0,1]=4 186 B8R0.5 CC(C)C[C@@H](N)CCO AT14312 [0,2,0,0,0,0|1,0,0]=3 187 B8R0.5 C[C@@H](CCN)OC(F)F AT14897 [0,2,0,0,0,0|2,0,0]=4 188 B8R0.5 NCC[C@H](O)CC(=O)O W16189 [0,2,0,0,0,0|1,0,1]=4 189 B8R0.19 CCC(C)CC(C)CC T71466 [0,2,0,0,0,0|1,0,0]=3 190 B8R0.19 COC(=O)C[C@H](C)CBr AT23326 [0,2,0,0,0,0|1,0,1]=4 191 B8R0.19 COC(=O)C[C@H](C)CBr AT23327 [0,2,0,0,0,0|1,0,1]=4 192 B8R0.34 CC(C)(CN)CC(F)F E73261 [0,2,0,0,0,0|2,0,0]=4 193 B8R0.34 C[C@@](N)(CO)CC(F)F AT24882 [0,2,0,0,0,0|2,0,0]=4 194 B8R0.1 CCCC[C@H](N)CCO AT14318 [0,2,0,0,0,0|1,0,0]=3 195 B8R0.3 COC(=O)[C@@H](C)CCBr AT23330 [0,2,0,0,0,0|1,0,1]=4 196 B8R0.9 NC[C@@H](N)CCC(=O)O AT25327 [0,2,0,0,0,0|2,0,0]=4 197 B8R0.25 CCCC[C@](C)(N)CO AT16769 [0,2,0,0,0,0|2,0,0]=4 198 B8R0.25 CCCC[C@](C)(N)CO AT16779 [0,2,0,0,0,0|2,0,0]=4 199 B8R0.14 CC(C)(C)[C@@H](N)CCO F53824 [0,2,0,0,0,0|1,0,0]=3 200 B8R0.14 CC(C)(O)[C@@H](F)CCO AC7016 [0,2,0,0,0,0|1,0,0]=3 201 B8R0.14 C[C@@H](CCBr)C(F)(F)F E73345 [0,2,0,0,0,0|2,0,0]=4 202 B8R0.13 CC(C)(CO)[C@@H](O)CO AT14494 [0,2,0,0,0,0|1,0,0]=3 203 B8R0.13 CC(C)(CO)[C@@H](O)CO AT14499 [0,2,0,0,0,0|1,0,0]=3 204 B8R0.13 CC(C)(CO)[C@@H](O)CO AT14500 [0,2,0,0,0,0|1,0,0]=3 205 B6R1.2 Br[C@H]1CCNC1 D87521 [1,0,0,1,0,0|2,0,0]=4 206 B6R1.3 NCCN1CC1 P18027 [1,0,0,1,0,0|2,0,0]=4 207 B6R1.3 OCC[C@H]1CO1 D72936 [1,0,0,1,0,0|1,0,0]=3 208 B6R1.3 OCC[C@H]1CO1 D74321 [1,0,0,1,0,0|1,0,0]=3 209 B6R1.5 C[C@H]1C[C@@H](O)C1 P20283 [1,0,0,1,0,0|0,0,0]=2 210 B6R1.5 NC1CC(N)C1 AT13082 [1,0,0,1,0,0|2,0,0]=4 211 B6R1.5 N[C@H]1C[C@@H](N)C1 P12910 [1,0,0,1,0,0|2,0,0]=4 212 B6R1.5 OC1CC(Br)C1 AT17315 [1,0,0,1,0,0|1,0,0]=3 213 B6R1.5 O[C@H]1C[C@@H](Br)C1 AT12399 [1,0,0,1,0,0|1,0,0]=3 214 B6R1.5 O[C@H]1C[C@@H](F)C1 P12413 [1,0,0,1,0,0|1,0,0]=3 215 B6R1.5 O[C@H]1C[C@H](Cl)C1 AT13084 [1,0,0,1,0,0|1,0,0]=3 216 B6R1.8 CC1CC1CN E73335 [1,0,0,1,0,0|1,0,0]=3 217 B6R1.8 C[C@H]1C[C@@H]1C=O AT23548 [1,0,0,1,0,0|0,0,2]=4 218 B6R1.8 C[C@H]1C[C@@H]1CBr 55227 [1,0,0,1,0,0|1,0,0]=3 219 B6R1.8 C[C@H]1C[C@@H]1CBr AT23414 [1,0,0,1,0,0|1,0,0]=3 220 B6R1.8 C[C@H]1C[C@@H]1CBr AT23416 [1,0,0,1,0,0|1,0,0]=3 221 B6R1.8 C[C@H]1C[C@@H]1CN 73150 [1,0,0,1,0,0|1,0,0]=3 222 B6R1.8 C[C@H]1C[C@@H]1CO AT23417 [1,0,0,1,0,0|0,0,0]=2 223 B6R1.8 C[C@H]1C[C@@H]1CO AT23419 [1,0,0,1,0,0|0,0,0]=2 224 B6R1.8 NC1CC1CF AT23905 [1,0,0,1,0,0|2,0,0]=4 225 B6R1.8 N[C@H]1C[C@@H]1CF AT13342 [1,0,0,1,0,0|2,0,0]=4 226 B6R1.8 N[C@H]1C[C@@H]1CF AT23917 [1,0,0,1,0,0|2,0,0]=4 227 B6R1.8 N[C@H]1C[C@@H]1CO AT13340 [1,0,0,1,0,0|1,0,0]=3 228 B6R1.8 N[C@H]1C[C@H]1CF AT23916 [1,0,0,1,0,0|2,0,0]=4 229 B6R1.8 N[C@H]1C[C@H]1CO AT12843 [1,0,0,1,0,0|1,0,0]=3 230 B6R1.8 OCC1CC1Cl AT20161 [1,0,0,1,0,0|1,0,0]=3 231 B6R1.8 OC[C@@H]1C[C@@H]1F 97730 [1,0,0,1,0,0|1,0,0]=3 232 B6R1.8 OC[C@@H]1C[C@@H]1F CS3456 [1,0,0,1,0,0|1,0,0]=3 233 B6R1.8 OC[C@@H]1C[C@@H]1F CS3462 [1,0,0,1,0,0|1,0,0]=3 234 B6R1.8 OC[C@H]1C[C@@H]1F CS3465 [1,0,0,1,0,0|1,0,0]=3 235 B6R1.9 CC1(C)C[C@@H]1O P19509 [1,0,0,1,0,0|0,0,0]=2 236 B6R1.9 O[C@H]1CC1(F)F F17971 [1,0,0,1,0,0|2,0,0]=4 237 B6R1.10 CC1(C)CCN1 AT11216 [1,0,0,1,0,0|1,0,0]=3 238 B6R1.11 CC(C)[C@@H]1CO1 AT11291 [1,0,0,1,0,0|0,0,0]=2 239 B6R1.11 CC(C)[C@@H]1CO1 AT11292 [1,0,0,1,0,0|0,0,0]=2 240 B6R1.4 CC1CCC1N AT10478 [1,0,0,1,0,0|1,0,0]=3 241 B6R1.4 CC1CCC1O AC8042 [1,0,0,1,0,0|0,0,0]=2 242 B6R1.4 CC1CNC1C E72893 [1,0,0,1,0,0|2,0,0]=4 243 B6R1.4 C[C@@H]1NC[C@@H]1F AT24718 [1,0,0,1,0,0|2,0,0]=4 244 B6R1.4 C[C@@H]1NC[C@@H]1F AT24722 [1,0,0,1,0,0|2,0,0]=4 245 B6R1.4 C[C@H]1NC[C@@H]1F AT24723 [1,0,0,1,0,0|2,0,0]=4 246 B6R1.4 C[C@H]1NC[C@@H]1F D79132 [1,0,0,1,0,0|2,0,0]=4 247 B6R1.4 N[C@@H]1CC[C@@H]1O P20950 [1,0,0,1,0,0|1,0,0]=3 248 B6R1.4 N[C@@H]1CC[C@@H]1O P20953 [1,0,0,1,0,0|1,0,0]=3 249 B6R1.4 O=C1CC[C@@H]1O 94997 [1,0,0,1,0,0|1,0,1]=4 250 B6R1.6 FC[C@H]1CCN1 P12566 [1,0,0,1,0,0|2,0,0]=4 251 B6R1.6 FC[C@H]1CCN1 P13956 [1,0,0,1,0,0|2,0,0]=4 252 B6R1.6 FC[C@H]1CCN1 P14908 [1,0,0,1,0,0|2,0,0]=4 253 B6R1.6 NOC1CCC1 97654 [1,0,0,1,0,0|2,0,0]=4 254 B6R1.6 OCC1CSC1 P14098 [1,0,0,1,0,0|1,0,0]=3 255 B6R1.7 C#CC1(C)CC1 C93202 [1,0,0,1,0,0|0,0,2]=4 256 B6R1.7 CC1(C=O)CC1 90939 [1,0,0,1,0,0|0,0,2]=4 257 B6R1.7 OCC1(Br)CC1 AT25121 [1,0,0,1,0,0|1,0,0]=3 258 B6R1.7 [2H][C@]1(CCl)CO1 D99350 [1,0,0,1,0,0|2,0,0]=4 259 B8R1.1 C[C@@H]1CC[C@H](CO)N1 W10038 [0,1,0,1,0,0|0,0,0]=2 260 B8R1.1 C[C@H]1CN[C@@H](CF)C1 W10040 [0,1,0,1,0,0|2,0,0]=4 261 B8R1.1 N#CC1CCC(N)C1 AT11524 [0,1,0,1,0,0|1,0,1]=4 262 B8R1.1 NCC1CCC(O)C1 D76686 [0,1,0,1,0,0|0,0,0]=2 263 B8R1.1 N[C@@H]1CN[C@H](CO)C1 91825 [0,1,0,1,0,0|2,0,0]=4 264 B8R1.1 O=C1CC[C@H](CCl)C1 AT22684 [0,1,0,1,0,0|0,0,2]=4 265 B8R1.1 O=C1CC[C@H](CI)C1 AT22686 [0,1,0,1,0,0|0,0,2]=4 266 B8R1.1 OCC1CCC(O)C1 D76829 [0,1,0,1,0,0|0,0,0]=2 267 B8R1.1 OC[C@@H]1CC[C@H](F)C1 AT22253 [0,1,0,1,0,0|1,0,0]=3 268 B8R1.1 OC[C@@H]1C[C@H](O)CO1 C15028 [0,1,0,1,0,0|1,0,0]=3 269 B8R1.1 OC[C@@H]1C[C@H](O)CO1 C73873 [0,1,0,1,0,0|1,0,0]=3 270 B8R1.1 OC[C@H]1CC[C@H](F)C1 AT22254 [0,1,0,1,0,0|1,0,0]=3 271 B8R1.4 C[C@@H]1CNC[C@@H](O)C1 AT13826 [0,1,0,1,0,0|0,0,0]=2 272 B8R1.4 C[C@H]1CC(=O)CCO1 P11762 [0,1,0,1,0,0|0,0,2]=4 273 B8R1.4 C[C@H]1CCC[C@H](N)C1 94624 [0,1,0,1,0,0|1,0,0]=3 274 B8R1.4 C[C@H]1CNC[C@H](C)N1 C15745 [0,1,0,1,0,0|2,0,0]=4 275 B8R1.4 C[C@H]1CNC[C@H](C)N1 P10621 [0,1,0,1,0,0|2,0,0]=4 276 B8R1.4 C[C@H]1COC[C@H](C)N1 D72922 [0,1,0,1,0,0|2,0,0]=4 277 B8R1.4 C[C@H]1COC[C@H](C)N1 F17621 [0,1,0,1,0,0|2,0,0]=4 278 B8R1.4 C[C@H]1C[C@@H](N)CCO1 D79497 [0,1,0,1,0,0|1,0,0]=3 279 B8R1.4 N[C@@H]1CCC[C@H](F)C1 P18319 [0,1,0,1,0,0|2,0,0]=4 280 B8R1.4 N[C@@H]1CCC[C@H](O)C1 W10001 [0,1,0,1,0,0|1,0,0]=3 281 B8R1.4 N[C@H]1CCC[C@H](O)C1 W10002 [0,1,0,1,0,0|1,0,0]=3 282 B8R1.4 O[C@@H]1CNC[C@@H](O)C1 AT24411 [0,1,0,1,0,0|1,0,0]=3 283 B8R1.18 CN1C[C@@H](O)CC1=O AT19112 [0,1,0,1,0,0|1,0,1]=4 284 B8R1.18 CN1C[C@@H](O)CC1=O AT19115 [0,1,0,1,0,0|1,0,1]=4 285 B8R1.18 CN1C[C@@H](O)CC1=O AT19117 [0,1,0,1,0,0|1,0,1]=4 286 B8R1.18 C[C@@H]1C[C@H](O)C(=O)N1 AT26252 [0,1,0,1,0,0|1,0,1]=4 287 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90246 [0,1,0,1,0,0|1,0,1]=4 288 B8R1.18 N[C@@H]1C[C@H](O)[C@H](O)C1 F50032 [0,1,0,1,0,0|1,0,0]=3 289 B8R1.18 N[C@H]1C[C@@H](O)C[C@@H]1O AT24208 [0,1,0,1,0,0|1,0,0]=3 290 B8R1.20 CC1CC1CC(=O)O E72880 [0,1,0,1,0,0|0,0,1]=3 291 B8R1.29 CC1(C)C[C@H](N)[C@@H]1O AT11410 [0,1,0,1,0,0|2,0,0]=4 292 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P12531 [0,1,0,1,0,0|1,0,1]=4 293 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P14183 [0,1,0,1,0,0|1,0,1]=4 294 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P12530 [0,1,0,1,0,0|1,0,1]=4 295 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P14693 [0,1,0,1,0,0|1,0,1]=4 296 B8R1.31 O=C(O)C1CCC1O D74978 [0,1,0,1,0,0|1,0,1]=4 297 B8R1.34 FC(F)CC1CNC1 E72934 [0,1,0,1,0,0|2,0,0]=4 298 B8R1.34 O=C(O)CN1CCC1 D96863 [0,1,0,1,0,0|1,0,1]=4 299 B8R1.34 O=C(O)C[C@H]1CCN1 P19180 [0,1,0,1,0,0|1,0,1]=4 300 B8R1.42 CC1(CC(=O)O)CC1 D86405 [0,1,0,1,0,0|0,0,1]=3 301 B8R1.42 NC1(CC(=O)O)CC1 F30393 [0,1,0,1,0,0|1,0,1]=4 302 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT12376 [0,1,0,1,0,0|0,0,1]=3 303 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT12377 [0,1,0,1,0,0|0,0,1]=3 304 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT23983 [0,1,0,1,0,0|0,0,1]=3 305 B8R1.43 COC1CC1C(=O)O C77471 [0,1,0,1,0,0|1,0,1]=4 306 B8R1.43 NCC1CC1C(=O)O P17932 [0,1,0,1,0,0|1,0,1]=4 307 B8R1.43 NC[C@@H]1C[C@@H]1C(=O)O AT20753 [0,1,0,1,0,0|1,0,1]=4 308 B8R1.43 NC[C@H]1C[C@@H]1C(=O)O AT20752 [0,1,0,1,0,0|1,0,1]=4 309 B8R1.43 NC[C@H]1C[C@H]1C(F)F AT13369 [0,1,0,1,0,0|2,0,0]=4 310 B8R1.43 O=C(O)C1CC1CO D75978 [0,1,0,1,0,0|1,0,1]=4 311 B8R1.43 O=C(O)[C@H]1C[C@@H]1CF AT23907 [0,1,0,1,0,0|1,0,1]=4 312 B8R1.43 O=C(O)[C@H]1C[C@@H]1CF AT23914 [0,1,0,1,0,0|1,0,1]=4 313 B8R1.43 O=C(O)[C@H]1C[C@@H]1CF AT23915 [0,1,0,1,0,0|1,0,1]=4 314 B8R1.43 O=C(O)[C@H]1C[C@H]1CF AT23906 [0,1,0,1,0,0|1,0,1]=4 315 B8R1.43 O=C(O)[C@H]1C[C@H]1CF AT23912 [0,1,0,1,0,0|1,0,1]=4 316 B8R1.43 O=C(O)[C@H]1C[C@H]1CF AT23913 [0,1,0,1,0,0|1,0,1]=4 317 B8R1.43 OCC1CC1C(F)F AT23919 [0,1,0,1,0,0|1,0,0]=3 318 B8R1.43 OC[C@@H]1C[C@H]1C(F)F AT23918 [0,1,0,1,0,0|1,0,0]=3 319 B8R1.43 OC[C@@H]1C[C@H]1C(F)F AT23921 [0,1,0,1,0,0|1,0,0]=3 320 B8R1.43 OC[C@H]1C[C@H]1C(F)F AT23920 [0,1,0,1,0,0|1,0,0]=3 321 B8R1.51 CC1(O)CCC(N)C1 P13560 [0,1,0,1,0,0|1,0,0]=3 322 B8R1.51 CC1(O)CCC(N)C1 P18531 [0,1,0,1,0,0|1,0,0]=3 323 B8R1.51 C[C@@H]1CNC(C)(C)C1 D75540 [0,1,0,1,0,0|2,0,0]=4 324 B8R1.51 C[C@H]1CC(C)(C)CN1 E72926 [0,1,0,1,0,0|2,0,0]=4 325 B8R1.51 FC1(F)CC[C@H](Br)C1 P20321 [0,1,0,1,0,0|2,0,0]=4 326 B8R1.62 CC1(C#N)CC(O)C1 AT12395 [0,1,0,1,0,0|1,0,1]=4 327 B8R1.62 CC1CC(N)(CO)C1 AT19781 [0,1,0,1,0,0|2,0,0]=4 328 B8R1.62 NC1CC(O)(CO)C1 AT22159 [0,1,0,1,0,0|2,0,0]=4 329 B8R1.62 N[C@H]1C[C@@](O)(CO)C1 AT22161 [0,1,0,1,0,0|2,0,0]=4 330 B8R1.65 CC1(C)C[C@]1(C)CN E73263 [0,1,0,1,0,0|2,0,0]=4 331 B8R1.2 C#C[C@H]1CCCOC1 AT10092 [0,1,0,1,0,0|0,0,2]=4 332 B8R1.2 C#C[C@H]1CCCOC1 AT10093 [0,1,0,1,0,0|0,0,2]=4 333 B8R1.2 CC[C@H]1CCCCN1 I11451 [0,1,0,1,0,0|1,0,0]=3 334 B8R1.2 CC[C@H]1CNCCN1 77623 [0,1,0,1,0,0|1,0,0]=3 335 B8R1.2 FC[C@H]1CCCCN1 P14250 [0,1,0,1,0,0|2,0,0]=4 336 B8R1.2 FC[C@H]1CNCCN1 61665 [0,1,0,1,0,0|2,0,0]=4 337 B8R1.2 FC[C@H]1CNCCN1 AT10420 [0,1,0,1,0,0|2,0,0]=4 338 B8R1.2 FC[C@H]1CNCCN1 AT10423 [0,1,0,1,0,0|2,0,0]=4 339 B8R1.2 FC[C@H]1CNCCN1 AT11400 [0,1,0,1,0,0|2,0,0]=4 340 B8R1.2 FC[C@H]1CNCCN1 AT11401 [0,1,0,1,0,0|2,0,0]=4 341 B8R1.2 N#C[C@@H]1COCCN1 AT23926 [0,1,0,1,0,0|1,0,1]=4 342 B8R1.2 N#C[C@@H]1COCCN1 C72094 [0,1,0,1,0,0|1,0,1]=4 343 B8R1.2 NC[C@H]1CCCOC1 P12202 [0,1,0,1,0,0|1,0,0]=3 344 B8R1.2 NC[C@H]1CCCOC1 P12792 [0,1,0,1,0,0|1,0,0]=3 345 B8R1.2 NC[C@H]1CNCCO1 AT21336 [0,1,0,1,0,0|2,0,0]=4 346 B8R1.2 NC[C@H]1CNCCO1 AT21337 [0,1,0,1,0,0|2,0,0]=4 347 B8R1.2 NC[C@H]1CNCCO1 AT21338 [0,1,0,1,0,0|2,0,0]=4 348 B8R1.2 O=C[C@H]1CCCOC1 AT10090 [0,1,0,1,0,0|1,0,1]=4 349 B8R1.2 O=C[C@H]1CCCOC1 AT10091 [0,1,0,1,0,0|1,0,1]=4 350 B8R1.2 OCC1=CCCOC1 AT26645 [0,1,0,1,0,0|1,0,1]=4 351 B8R1.2 OC[C@H]1CSCCN1 AT25274 [0,1,0,1,0,0|1,1,0]=4 352 B8R1.3 C=C1CCC(O)CC1 AT15311 [0,1,0,1,0,0|0,0,2]=4 353 B8R1.3 C[C@@H]1CC[C@H](O)CN1 W10035 [0,1,0,1,0,0|0,0,0]=2 354 B8R1.3 C[C@H]1CC[C@H](C)CC1 F10496 [0,1,0,1,0,0|1,0,0]=3 355 B8R1.3 C[C@H]1CC[C@H](O)CN1 73247 [0,1,0,1,0,0|0,0,0]=2 356 B8R1.3 C[C@H]1CC[C@H](O)CN1 W10034 [0,1,0,1,0,0|0,0,0]=2 357 B8R1.3 C[C@H]1CC[C@H](O)CN1 W11753 [0,1,0,1,0,0|0,0,0]=2 358 B8R1.3 C[C@H]1CN[C@@H](C)CN1 AT17299 [0,1,0,1,0,0|2,0,0]=4 359 B8R1.3 C[C@H]1CO[C@@H](C)CN1 AC8572 [0,1,0,1,0,0|2,0,0]=4 360 B8R1.3 O=C1CC[C@H](O)CO1 AT23772 [0,1,0,1,0,0|1,0,1]=4 361 B8R1.3 O=C1CC[C@H](O)CO1 AT23773 [0,1,0,1,0,0|1,0,1]=4 362 B8R1.3 OC1CCC(S)CC1 D76598 [0,1,0,1,0,0|1,0,0]=3 363 B8R1.5 CC1CSCCC1N 70873 [0,1,0,1,0,0|1,1,0]=4 364 B8R1.5 C[C@@H]1CCCC[C@@H]1N FD10501 [0,1,0,1,0,0|1,0,0]=3 365 B8R1.5 C[C@@H]1CCNC[C@@H]1F AT23522 [0,1,0,1,0,0|1,0,0]=3 366 B8R1.5 C[C@@H]1CCNC[C@@H]1O P13523 [0,1,0,1,0,0|1,0,0]=3 367 B8R1.5 C[C@@H]1COCC[C@@H]1N CS2010 [0,1,0,1,0,0|1,0,0]=3 368 B8R1.5 C[C@@H]1COCC[C@@H]1N D75982 [0,1,0,1,0,0|1,0,0]=3 369 B8R1.5 C[C@@H]1OCCN[C@@H]1C 90059 [0,1,0,1,0,0|0,0,0]=2 370 B8R1.5 C[C@@H]1OCCN[C@@H]1C W15992 [0,1,0,1,0,0|0,0,0]=2 371 B8R1.5 C[C@H]1COCC[C@@H]1N P13195 [0,1,0,1,0,0|1,0,0]=3 372 B8R1.5 NC1CCCCC1F 72734 [0,1,0,1,0,0|2,0,0]=4 373 B8R1.5 NC1CCOCC1F C14730 [0,1,0,1,0,0|1,0,0]=3 374 B8R1.5 N[C@@H]1CCOC[C@@H]1F D75516 [0,1,0,1,0,0|1,0,0]=3 375 B8R1.5 N[C@@H]1CCOC[C@@H]1F P14712 [0,1,0,1,0,0|1,0,0]=3 376 B8R1.5 N[C@@H]1CCOC[C@@H]1F P19435 [0,1,0,1,0,0|1,0,0]=3 377 B8R1.5 N[C@@H]1CCOC[C@@H]1O P13194 [0,1,0,1,0,0|1,0,0]=3 378 B8R1.5 N[C@@H]1CCOC[C@@H]1O P13230 [0,1,0,1,0,0|1,0,0]=3 379 B8R1.5 N[C@H]1CCNC[C@@H]1O D76966 [0,1,0,1,0,0|2,0,0]=4 380 B8R1.5 N[C@H]1COCCC1=O E73090 [0,1,0,1,0,0|1,0,1]=4 381 B8R1.5 OC1CNCCC1F 72696 [0,1,0,1,0,0|2,0,0]=4 382 B8R1.5 O[C@@H]1CCOC[C@@H]1F P17831 [0,1,0,1,0,0|1,0,0]=3 383 B8R1.5 O[C@@H]1CCOC[C@@H]1F P18924 [0,1,0,1,0,0|1,0,0]=3 384 B8R1.5 O[C@H]1CCNC[C@@H]1F P14099 [0,1,0,1,0,0|2,0,0]=4 385 B8R1.5 O[C@H]1CNCC[C@H]1O 39437 [0,1,0,1,0,0|2,0,0]=4 386 B8R1.10 OCCCC1CCC1 F52481 [0,1,0,1,0,0|0,0,0]=2 387 B8R1.10 OCCNC1COC1 E72818 [0,1,0,1,0,0|1,0,0]=3 388 B8R1.10 OCCOC1CCC1 92926 [0,1,0,1,0,0|0,0,0]=2 389 B8R1.13 COCC1CCC1N AT20685 [0,1,0,1,0,0|1,0,0]=3 390 B8R1.17 COC[C@H]1C[C@@H]1CN AT20748 [0,1,0,1,0,0|1,0,0]=3 391 B8R1.17 COC[C@H]1C[C@@H]1CN AT20754 [0,1,0,1,0,0|1,0,0]=3 392 B8R1.17 NCCC1CC1CO AT22591 [0,1,0,1,0,0|0,0,0]=2 393 B8R1.22 C[C@H]1CCNCCN1 91998 [0,1,0,1,0,0|1,0,0]=3 394 B8R1.22 C[C@H]1CCNCCN1 91999 [0,1,0,1,0,0|1,0,0]=3 395 B8R1.22 C[C@H]1CCOCCN1 33399 [0,1,0,1,0,0|0,0,0]=2 396 B8R1.22 C[C@H]1CNCCCN1 D76103 [0,1,0,1,0,0|2,0,0]=4 397 B8R1.22 C[C@H]1COCCCN1 AT11439 [0,1,0,1,0,0|2,0,0]=4 398 B8R1.22 C[C@H]1COCCCN1 AT11440 [0,1,0,1,0,0|2,0,0]=4 399 B8R1.22 F[C@H]1CCCCNC1 72488 [0,1,0,1,0,0|2,0,0]=4 400 B8R1.22 F[C@H]1CCCCNC1 AT25232 [0,1,0,1,0,0|2,0,0]=4 401 B8R1.22 F[C@H]1CCCCNC1 AT25234 [0,1,0,1,0,0|2,0,0]=4 402 B8R1.22 NC1CCC=CCC1 E73311 [0,1,0,1,0,0|2,0,0]=4 403 B8R1.22 O[C@H]1CCCCNC1 AT25228 [0,1,0,1,0,0|2,0,0]=4 404 B8R1.22 O[C@H]1CCCCNC1 AT25231 [0,1,0,1,0,0|2,0,0]=4 405 B8R1.22 O[C@H]1CCCNCC1 AT25235 [0,1,0,1,0,0|2,0,0]=4 406 B8R1.22 O[C@H]1CCCNCC1 AT25242 [0,1,0,1,0,0|2,0,0]=4 407 B8R1.22 SC1CCCCCC1 D76599 [0,1,0,1,0,0|2,0,0]=4 408 B8R1.38 C#C[C@@H](N)C1CCC1 AT11754 [0,1,0,1,0,0|1,0,1]=4 409 B8R1.38 C#C[C@@H](N)C1CCC1 AT11755 [0,1,0,1,0,0|1,0,1]=4 410 B8R1.38 N[C@@H](CO)C1CCC1 N11335 [0,1,0,1,0,0|0,0,0]=2 411 B8R1.41 OCCCC1(O)CC1 AT24657 [0,1,0,1,0,0|1,0,0]=3 412 B8R1.47 C#CC1CC(CO)C1 AT13998 [0,1,0,1,0,0|0,0,2]=4 413 B8R1.47 CN[C@H]1C[C@H](CO)C1 D96660 [0,1,0,1,0,0|1,0,0]=3 414 B8R1.47 COC1CC(CBr)C1 C77424 [0,1,0,1,0,0|1,0,0]=3 415 B8R1.47 CO[C@H]1C[C@@H](CN)C1 P13512 [0,1,0,1,0,0|1,0,0]=3 416 B8R1.47 CO[C@H]1C[C@H](CN)C1 P13513 [0,1,0,1,0,0|1,0,0]=3 417 B8R1.47 NC[C@H]1C[C@@H](CO)C1 P14792 [0,1,0,1,0,0|1,0,0]=3 418 B8R1.50 CC1CCC(C)C1N N13148 [0,1,0,1,0,0|1,0,0]=3 419 B8R1.50 CN1CC[C@H](O)C1=O AT18767 [0,1,0,1,0,0|1,0,1]=4 420 B8R1.50 CN1CC[C@H](O)C1=O D76675 [0,1,0,1,0,0|1,0,1]=4 421 B8R1.52 CC1(CBr)CCCC1 57443 [0,1,0,1,0,0|2,0,0]=4 422 B8R1.52 CC[C@@]1(C)CCNC1 AT25604 [0,1,0,1,0,0|1,0,0]=3 423 B8R1.52 CC[C@]1(F)CCNC1 P14031 [0,1,0,1,0,0|1,0,0]=3 424 B8R1.52 CC[C@]1(O)CCOC1 69115 [0,1,0,1,0,0|0,0,0]=2 425 B8R1.52 CN[C@@]1(C)CCOC1 P11465 [0,1,0,1,0,0|1,0,0]=3 426 B8R1.52 C[C@]1(CBr)CCOC1 P13014 [0,1,0,1,0,0|1,0,0]=3 427 B8R1.52 C[C@]1(CO)CCOC1 D96840 [0,1,0,1,0,0|1,0,0]=3 428 B8R1.52 C[C@]1(CO)CCOC1 D96841 [0,1,0,1,0,0|1,0,0]=3 429 B8R1.52 N#C[C@]1(N)CCOC1 AC1739 [0,1,0,1,0,0|1,0,1]=4 430 B8R1.52 OC[C@]1(F)CCOC1 AT22083 [0,1,0,1,0,0|1,0,0]=3 431 B8R1.7 CC(O)C1CCOC1 AT21453 [0,1,0,1,0,0|0,0,0]=2 432 B8R1.7 C[C@H](N)[C@@H]1CCCO1 W15865 [0,1,0,1,0,0|2,0,0]=4 433 B8R1.7 C[C@H](O)C1CCOC1 AT21454 [0,1,0,1,0,0|0,0,0]=2 434 B8R1.7 C[C@H](O)C1CCOC1 AT21455 [0,1,0,1,0,0|0,0,0]=2 435 B8R1.7 C[C@H](O)[C@@H]1CCCO1 E72115 [0,1,0,1,0,0|2,0,0]=4 436 B8R1.15 C[C@H]1[C@H](CO)C1(F)F AT12580 [0,1,0,1,0,0|1,0,0]=3 437 B8R1.19 CC1(C)CCC[C@@H]1N P21031 [0,1,0,1,0,0|2,0,0]=4 438 B8R1.19 CC1(O)CCCC1N AT16546 [0,1,0,1,0,0|2,0,0]=4 439 B8R1.19 C[C@]1(O)CCC[C@@H]1N D77066 [0,1,0,1,0,0|2,0,0]=4 440 B8R1.23 CC(C)C1CC(N)C1 AT13079 [0,1,0,1,0,0|1,0,0]=3 441 B8R1.23 CN(C)[C@H]1C[C@@H](N)C1 P20303 [0,1,0,1,0,0|2,0,0]=4 442 B8R1.23 CN(C)[C@H]1C[C@@H](O)C1 AT20144 [0,1,0,1,0,0|1,0,0]=3 443 B8R1.24 CC1(C)C(O)CC1O AT20121 [0,1,0,1,0,0|1,0,0]=3 444 B8R1.27 NCC[C@H]1CC1(F)F AT12582 [0,1,0,1,0,0|2,0,0]=4 445 B8R1.37 N[C@@H](CCO)C1CC1 F53372 [0,1,0,1,0,0|1,0,0]=3 446 B8R1.37 N[C@@H](CCO)C1CC1 F53459 [0,1,0,1,0,0|1,0,0]=3 447 B8R1.37 N[C@@H](CCO)C1CC1 F53754 [0,1,0,1,0,0|1,0,0]=3 448 B8R1.78 C[C@H](N)C1(C)CCC1 AC9052 [0,1,0,1,0,0|1,0,0]=3 449 B8R1.80 CCO[C@@]1(C)C[C@H]1N AT11450 [0,1,0,1,0,0|1,0,0]=3 450 B8R1.6 CCOC1CC(=O)C1 D75215 [0,1,0,1,0,0|0,0,2]=4 451 B8R1.6 CCO[C@H]1C[C@@H](O)C1 AT13089 [0,1,0,1,0,0|0,0,0]=2 452 B8R1.6 CCO[C@H]1C[C@H](N)C1 P13634 [0,1,0,1,0,0|1,0,0]=3 453 B8R1.6 CCO[C@H]1C[C@H](O)C1 AT13088 [0,1,0,1,0,0|0,0,0]=2 454 B8R1.6 NCCN1CC(F)C1 AT15721 [0,1,0,1,0,0|2,0,0]=4 455 B8R1.8 BrCC[C@H]1CCCN1 C77427 [0,1,0,1,0,0|1,0,0]=3 456 B8R1.8 COC[C@H]1CCNC1 P12587 [0,1,0,1,0,0|1,0,0]=3 457 B8R1.8 NCC[C@H]1CCCO1 AT11472 [0,1,0,1,0,0|1,0,0]=3 458 B8R1.8 NOCC1CCCC1 Y11655 [0,1,0,1,0,0|2,0,0]=4 459 B8R1.8 O=CC[C@H]1CCOC1 E72813 [0,1,0,1,0,0|0,0,1]=3 460 B8R1.11 CO[C@H]1COC[C@@H]1N D72866 [0,1,0,1,0,0|1,0,0]=3 461 B8R1.11 C[C@@H]1OCC[C@@H]1CN 73022 [0,1,0,1,0,0|0,0,0]=2 462 B8R1.11 NC1COCC1CO AT19653 [0,1,0,1,0,0|1,0,0]=3 463 B8R1.11 NC1COCC1CO AT19655 [0,1,0,1,0,0|1,0,0]=3 464 B8R1.11 NC[C@H]1COC[C@@H]1O P15682 [0,1,0,1,0,0|1,0,0]=3 465 B8R1.11 N[C@H]1CCC[C@@H]1CO AT21376 [0,1,0,1,0,0|1,0,0]=3 466 B8R1.11 N[C@H]1CCC[C@@H]1CO AT21377 [0,1,0,1,0,0|1,0,0]=3 467 B8R1.11 N[C@H]1COC[C@@H]1CO AT19661 [0,1,0,1,0,0|1,0,0]=3 468 B8R1.11 N[C@H]1COC[C@@H]1CO AT19676 [0,1,0,1,0,0|1,0,0]=3 469 B8R1.11 N[C@H]1COC[C@@H]1CO AT19677 [0,1,0,1,0,0|1,0,0]=3 470 B8R1.11 N[C@H]1COC[C@H]1CO AT19648 [0,1,0,1,0,0|1,0,0]=3 471 B8R1.11 N[C@H]1COC[C@H]1CO AT19656 [0,1,0,1,0,0|1,0,0]=3 472 B8R1.11 N[C@H]1COC[C@H]1CO AT19659 [0,1,0,1,0,0|1,0,0]=3 473 B8R1.11 OC[C@H]1CC=C[C@H]1O 52549 [0,1,0,1,0,0|1,0,1]=4 474 B8R1.11 OC[C@H]1CC=C[C@H]1O D77369 [0,1,0,1,0,0|1,0,1]=4 475 B8R1.11 OC[C@H]1CCC[C@@H]1F 73086 [0,1,0,1,0,0|1,0,0]=3 476 B8R1.66 COCC1(C)CNC1 E72854 [0,1,0,1,0,0|2,0,0]=4 477 B8R1.66 NCCC1(N)CCC1 89659 [0,1,0,1,0,0|1,0,0]=3 478 B8R1.66 NCCC1(O)CCC1 AT11470 [0,1,0,1,0,0|1,0,0]=3 479 B8R1.12 CCN1CC[C@@H]1CN E73268 [0,1,0,1,0,0|2,0,0]=4 480 B8R1.12 CNC1CCC1OC AT11411 [0,1,0,1,0,0|2,0,0]=4 481 B8R1.39 CC1(C(=O)CBr)CC1 AT13305 [0,1,0,1,0,0|1,0,1]=4 482 B8R1.48 NC[C@H]1CCC1(F)F P17081 [0,1,0,1,0,0|2,0,0]=4 483 B8R1.72 CC1(C)CCCCN1 AT24207 [0,1,0,1,0,0|2,0,0]=4 484 B8R1.72 C[C@]1(F)CCCNC1 73130 [0,1,0,1,0,0|2,0,0]=4 485 B8R1.72 C[C@]1(O)CCCNC1 P19254 [0,1,0,1,0,0|2,0,0]=4 486 B8R1.82 CNCC1(OC)CC1 D74328 [0,1,0,1,0,0|2,0,0]=4 487 B8R1.60 CCC1(CC)CCO1 E72916 [0,1,0,1,0,0|0,0,0]=2 488 B8R1.60 CCC1(CO)CCC1 AT26658 [0,1,0,1,0,0|1,0,0]=3 489 B8R1.60 CSC1(CN)CCC1 AT20159 [0,1,0,1,0,0|2,0,0]=4 490 B8R1.60 ICC1(CI)CCC1 AT23625 [0,1,0,1,0,0|2,0,0]=4 491 B8R1.60 OCC1(CF)CCC1 AT19768 [0,1,0,1,0,0|2,0,0]=4 492 B8R2.11 Br[C@H]1[C@@H]2CNC[C@H]12 E73244 [0,0,0,2,0,0|2,0,0]=4 493 B8R2.11 FC1C2CNCC12 D78990 [0,0,0,2,0,0|2,0,0]=4 494 B8R2.11 N[C@@H]1[C@H]2COC[C@H]21 P12547 [0,0,0,2,0,0|1,0,0]=3 495 B8R2.11 N[C@H]1[C@H]2COC[C@@H]12 W15523 [0,0,0,2,0,0|1,0,0]=3 496 B8R2.11 O[C@H]1[C@@H]2CNC[C@H]12 38334 [0,0,0,2,0,0|2,0,0]=4 497 B8R2.22 C1CC2CNCC12 P11721 [0,0,0,2,0,0|1,0,0]=3 498 B8R2.22 C1C[C@@H]2CC[C@@H]2N1 AT26761 [0,0,0,2,0,0|1,0,0]=3 499 B8R2.22 C1C[C@@H]2NC[C@@H]2O1 E73352 [0,0,0,2,0,0|1,0,0]=3 500 B8R2.22 C1C[C@H]2CNC[C@@H]12 AT20514 [0,0,0,2,0,0|1,0,0]=3 501 B8R2.22 C1NC2COCC12 AT25962 [0,0,0,2,0,0|1,0,0]=3 502 B8R2.34 C1S[C@@H]2CN[C@H]1C2 E72914 [0,0,0,2,0,0|1,1,0]=4 503 B8R2.7 CC12CC(CN1)C2 C77410 [0,0,0,2,0,0|2,0,0]=4 504 B8R2.7 NC12CCC(C1)C2 D74776 [0,0,0,2,0,0|1,0,0]=3 505 B8R2.7 NC12CSC(C1)C2 AT11744 [0,0,0,2,0,0|2,0,0]=4 506 B8R2.7 OC12CCC(C1)C2 AT22687 [0,0,0,2,0,0|0,0,0]=2 507 B8R2.7 OC12CNC(C1)C2 AT22135 [0,0,0,2,0,0|1,0,0]=3 508 B8R2.18 N[C@H]1C[C@@H]2C[C@@H]2C1 P14914 [0,0,0,2,0,0|1,0,0]=3 509 B8R2.18 O=C1CC2OC2C1 60055 [0,0,0,2,0,0|1,0,1]=4 510 B8R2.38 NC1CCC2CC12 P12183 [0,0,0,2,0,0|1,0,0]=3 511 B8R2.38 O=C1CC[C@@H]2C[C@H]12 E73217 [0,0,0,2,0,0|0,0,2]=4 512 B8R2.38 O=C1OC[C@@H]2C[C@H]12 AT22533 [0,0,0,2,0,0|1,0,1]=4 513 B8R2.23 C1NCC2CC1C2 27063 [0,0,0,2,0,0|2,0,0]=4 514 B8R2.25 C1CC2CC2CN1 D73121 [0,0,0,2,0,0|1,0,0]=3 515 B8R2.25 C1CC2NC2CO1 D77143 [0,0,0,2,0,0|1,0,0]=3 516 B8R2.25 C1CCC2NC2C1 AT21517 [0,0,0,2,0,0|2,0,0]=4 517 B8R2.26 NC1CC1C2CC2 AT24619 [0,0,0,2,0,0|2,0,0]=4 518 B8R2.45 N[C@H]1CC12CCC2 E73216 [0,0,0,2,0,0|1,0,0]=3 519 B8R2.1 C1CC([C@@H]2CO2)C1 AT11479 [0,0,0,2,0,0|0,0,0]=2 520 B8R2.1 C1C[C@@H](C2CC2)N1 P10347 [0,0,0,2,0,0|2,0,0]=4 521 B8R2.42 C1CC2(CNC2)O1 52182 [0,0,0,2,0,0|1,0,0]=3 522 B8R2.19 N[C@H]1CCC12CC2 D73354 [0,0,0,2,0,0|2,0,0]=4 523 B8R2.20 BrC[C@H]1CC12CC2 C77435 [0,0,0,2,0,0|1,0,0]=3 524 B8R2.20 NC[C@H]1CC12CC2 D73416 [0,0,0,2,0,0|1,0,0]=3 525 B8R2.31 BrCC12CC(C1)C2 P16481 [0,0,0,2,0,0|2,0,0]=4