0 B7R0.7 C=CCC(=O)CC=C 89933 [0,0,0,0,0,0|0,0,4]=4 1 B7R0.7 CCC[C@H](N)CCO N15481 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.7 CCC[C@H](N)CCO N15482 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.7 CCOC(=O)C=[N+]=[N-] D87242 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.7 CCOC(=O)CCN F19878 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.7 CCOC(=O)\C=C\[O-] P10114 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.7 CCSC(=O)OCI C77591 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.7 COCC(Br)COC D74902 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.7 COCC(N)COC AT12494 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.7 O=C(CCBr)CCBr 52047 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.1 CCC(=O)N=C=S AT25941 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.1 CCC[C@H](C)CBr S11885 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.1 CCNC(=O)OC C16084 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.1 CCOC(=N)CCl AC8745 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.1 CCOC(=S)SC AC9840 [1,0,0,0,0,0|2,1,0]=4 15 B6R0.1 CC[C@H](N)CCO AT22371 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.1 CC[C@H](N)COC D87652 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.1 CC[C@H](N)COC D87653 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.1 COCC(=O)CCl D85993 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.1 COCC(=O)OC F53343 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.1 CONC(=O)CCl AT14830 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.1 O=C(CCCl)NO AC8818 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.6 CCNCCSC AT25567 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.6 CNCCCOC F15969 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.6 COCCCCN C77605 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.6 ClCCNCCCl AB10357 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.6 NCCOCCF AT12496 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.6 NCCSCCO AT25550 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.6 OCCNCCO AB10274 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.6 OCCOCCI C77657 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.6 [2H]OCCCCC D99155 [1,0,0,0,0,0|2,0,1]=4 31 B8R0.1 CCCC[C@H](N)CCO D73273 [0,1,0,0,0,0|2,0,1]=4 32 B8R0.1 CCNC(=O)NCCO AT23087 [0,1,0,0,0,0|2,0,0]=3 33 B8R0.1 CCOC(=O)NCCN AT13715 [0,1,0,0,0,0|2,0,0]=3 34 B8R0.1 CCOC(=O)\C=C\CN 86087 [0,1,0,0,0,0|1,0,2]=4 35 B8R0.3 C#C[C@@H](O)C(=O)OCC T71981 [0,1,0,0,0,0|1,0,2]=4 36 B8R0.3 C=C(CC)C(=O)OCC 97591 [0,1,0,0,0,0|1,0,1]=3 37 B8R0.3 C=C(CCl)C(=O)OCC T70430 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.3 CCCC(C)C(C)CC T71461 [0,1,0,0,0,0|1,0,1]=3 39 B8R0.3 CCCC(C)C(N)CO AT16873 [0,1,0,0,0,0|2,0,1]=4 40 B8R0.3 CCOC(=O)[C@@H](C)CN A10614 [0,1,0,0,0,0|2,0,0]=3 41 B8R0.3 CCOC(=O)[C@@H](C)CO AB7220 [0,1,0,0,0,0|2,0,0]=3 42 B8R0.3 CCOC(=O)[C@@H](Cl)C=N L10141 [0,1,0,0,0,0|2,0,1]=4 43 B8R0.3 CCOC(=O)[C@H](C)NC D87311 [0,1,0,0,0,0|2,0,0]=3 44 B8R0.3 CCOC(=O)[C@H](C)OC 90999 [0,1,0,0,0,0|2,0,0]=3 45 B8R0.3 CCOC(=O)\C(Cl)=N\C AC2255 [0,1,0,0,0,0|2,0,1]=4 46 B8R0.5 CC(C)OC(=O)CCS FD10479 [0,1,0,0,0,0|2,0,0]=3 47 B8R0.5 CC(C)OC(=O)OCI D73860 [0,1,0,0,0,0|3,0,0]=4 48 B8R0.5 CCCC(=O)CC(C)C T72726 [0,1,0,0,0,0|0,0,0]=1 49 B8R0.5 CCOC(=O)C[C@H](C)N H11544 [0,1,0,0,0,0|1,0,0]=2 50 B8R0.5 CCOC(=O)C[S+](C)C AT26589 [0,1,0,0,0,0|2,0,0]=3 51 B8R0.22 O=NN(CCO)CCO T71599 [0,1,0,0,0,0|3,0,0]=4 52 B8R1.4 CC1CCNC(C)C1 D87679 [0,0,0,1,0,0|2,0,1]=4 53 B8R1.4 CC1CCOS(=O)O1 A12529 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.4 CN1CCC=C(Br)C1 S11379 [0,0,0,1,0,0|2,0,1]=4 55 B8R1.4 CN1CCCC(=O)C1 C14007 [0,0,0,1,0,0|1,0,0]=2 56 B8R1.4 CN1CCC[C@H](N)C1 F13063 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.4 CN1CCC[C@H](O)C1 AC6069 [0,0,0,1,0,0|1,0,2]=4 58 B8R1.4 C[C@@H]1C[C@@H](N)CCO1 D79034 [0,0,0,1,0,0|2,0,1]=4 59 B8R1.4 C[C@H]1CC(=O)C=CO1 F50263 [0,0,0,1,0,0|1,0,2]=4 60 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [0,0,0,1,0,0|1,0,0]=2 61 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [0,0,0,1,0,0|0,0,0]=1 62 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [0,0,0,1,0,0|1,0,0]=2 63 B8R1.4 C[C@H]1CCC[C@H](C)N1 P21143 [0,0,0,1,0,0|2,0,1]=4 64 B8R1.4 C[C@H]1CN(C)CCN1 C14012 [0,0,0,1,0,0|3,0,0]=4 65 B8R1.4 C[C@H]1CN(C)CCN1 F12388 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.4 C[C@H]1CN(C)CCN1 P11099 [0,0,0,1,0,0|3,0,0]=4 67 B8R1.4 C[C@H]1CN(C)CCN1 S10064 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.4 C[C@H]1CNCC(=O)N1 P13905 [0,0,0,1,0,0|2,0,0]=3 69 B8R1.4 C[C@H]1CNC[C@@H](O)C1 AT13824 [0,0,0,1,0,0|1,0,2]=4 70 B8R1.4 C[C@H]1C[C@@H](O)CCN1 P12569 [0,0,0,1,0,0|1,0,2]=4 71 B8R1.4 N[C@@H]1COCC(=O)C1 F51972 [0,0,0,1,0,0|2,0,0]=3 72 B8R1.4 N[C@H]1CCC[C@H](O)C1 F11499 [0,0,0,1,0,0|1,0,2]=4 73 B8R1.4 N[C@H]1CCC[C@H](O)C1 P19975 [0,0,0,1,0,0|1,0,2]=4 74 B8R1.4 O=C1C=C(Cl)CCC1 D86029 [0,0,0,1,0,0|1,0,2]=4 75 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [0,0,0,1,0,0|1,0,0]=2 76 B8R1.4 O=C1C[C@@H](F)CCN1 P19310 [0,0,0,1,0,0|2,0,0]=3 77 B8R1.6 CCC=C1CC(O)C1 AT14798 [0,0,0,1,0,0|2,0,1]=4 78 B8R1.6 CCCN1CC(O)C1 P19017 [0,0,0,1,0,0|3,0,0]=4 79 B8R1.8 CCCC1=NCCO1 T72500 [0,0,0,1,0,0|1,0,1]=3 80 B8R1.8 CCC[C@H]1CCCN1 N12832 [0,0,0,1,0,0|1,0,1]=3 81 B8R1.8 CNCC1CCCC1 A11546 [0,0,0,1,0,0|2,0,1]=4 82 B8R1.8 COC[C@H]1CCCN1 C77885 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.8 NCCC1CCCC1 23497 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.8 NCC[C@H]1CCCO1 AT11471 [0,0,0,1,0,0|1,0,2]=4 85 B8R1.8 OCC[C@H]1CCCO1 56770 [0,0,0,1,0,0|1,0,2]=4 86 B8R1.11 CC[C@H]1CCNC1=O AT18851 [0,0,0,1,0,0|1,0,0]=2 87 B8R1.11 CO[C@H]1CCCC1=O AT25997 [0,0,0,1,0,0|1,0,0]=2 88 B8R1.11 CO[C@H]1CCC[C@@H]1N AT13762 [0,0,0,1,0,0|2,0,1]=4 89 B8R1.11 CO[C@H]1CCC[C@@H]1O AT11485 [0,0,0,1,0,0|1,0,2]=4 90 B8R1.11 CO[C@H]1CCC[C@@H]1O AT11487 [0,0,0,1,0,0|1,0,2]=4 91 B8R1.11 CO[C@H]1CCC[C@@H]1O AT11488 [0,0,0,1,0,0|1,0,2]=4 92 B8R1.11 N[C@H]1CCC[C@H]1CO AT21374 [0,0,0,1,0,0|2,0,1]=4 93 B8R1.18 CC1=NC(C)C(C)S1 A10763 [0,0,0,1,0,0|3,0,0]=4 94 B8R1.18 CC1CC(=O)OC1C AC8330 [0,0,0,1,0,0|1,0,0]=2 95 B8R1.18 CC1CC(=O)OC1O S10278 [0,0,0,1,0,0|2,0,0]=3 96 B8R1.18 CC1NC(=O)CC1O 94943 [0,0,0,1,0,0|2,0,0]=3 97 B8R1.22 C[C@H]1CCCCCN1 AT22104 [0,0,0,1,0,0|2,0,1]=4 98 B8R1.22 F[C@H]1CCCNCC1 72531 [0,0,0,1,0,0|2,0,1]=4 99 B8R1.22 I[C@H]1CCCOCC1 55131 [0,0,0,1,0,0|2,0,1]=4 100 B8R1.22 N[C@H]1CCCCNC1 F13105 [0,0,0,1,0,0|2,0,1]=4 101 B8R1.22 O[C@H]1CCCCNC1 73004 [0,0,0,1,0,0|1,0,2]=4 102 B8R1.22 O[C@H]1CCCOCC1 55130 [0,0,0,1,0,0|1,0,2]=4 103 B8R1.37 CCOC(=O)[C@@H]1CO1 A10023 [0,0,0,1,0,0|2,0,0]=3 104 B8R1.37 CN(CCN)C1CC1 AT25788 [0,0,0,1,0,0|3,0,0]=4 105 B8R1.37 COC[C@H](N)C1CC1 20488 [0,0,0,1,0,0|2,0,1]=4 106 B8R1.37 COC[C@H](N)C1CC1 70242 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.66 NC1(CCO)CCC1 89656 [0,0,0,1,0,0|2,0,1]=4 108 B8R1.66 NCCC1(O)CCC1 AT11483 [0,0,0,1,0,0|1,0,2]=4 109 B5R0.1 C=C(C)CCC D91296 [2,0,0,0,0,0|1,0,0]=3 110 B5R0.1 CC#CC(C)=O AC8567 [2,0,0,0,0,0|0,0,2]=4 111 B5R0.1 CC(=O)CCBr D82681 [2,0,0,0,0,0|1,0,0]=3 112 B5R0.1 CCC[C@H](C)N N10856 [2,0,0,0,0,0|1,0,1]=4 113 B5R0.1 CCC[C@H](C)N N15476 [2,0,0,0,0,0|1,0,1]=4 114 B5R0.1 CNCC(C)=O 72642 [2,0,0,0,0,0|1,0,0]=3 115 B5R0.1 CONC(C)=O AT24901 [2,0,0,0,0,0|2,0,0]=4 116 B5R0.1 C[S@](=O)CCN AT24516 [2,0,0,0,0,0|2,0,0]=4 117 B5R0.1 C[S@](=O)CCN AT24517 [2,0,0,0,0,0|2,0,0]=4 118 B5R0.1 C[S@](=O)CCO E72546 [2,0,0,0,0,0|2,0,0]=4 119 B5R0.1 NCCC(=O)O T70551 [2,0,0,0,0,0|2,0,0]=4 120 B5R0.1 NCCC(N)=O AC6190 [2,0,0,0,0,0|2,0,0]=4 121 B5R0.1 [2H]C(=O)OCC D98566 [2,0,0,0,0,0|2,0,0]=4 122 B5R0.2 CCCCNN AC6660 [2,0,0,0,0,0|2,0,0]=4 123 B5R0.2 CCCCNO AT14838 [2,0,0,0,0,0|2,0,0]=4 124 B5R0.2 CCCNOC AT24927 [2,0,0,0,0,0|2,0,0]=4 125 B5R0.2 CNCCSC D87904 [2,0,0,0,0,0|2,0,0]=4 126 B5R0.2 C\C=C\CCN AT22492 [2,0,0,0,0,0|1,0,1]=4 127 B5R0.2 [2H]OCCCC D98922 [2,0,0,0,0,0|2,0,0]=4 128 B5R0.3 C=C(CC)CBr C77504 [2,0,0,0,0,0|2,0,0]=4 129 B5R0.3 C=C(CC)CC D90428 [2,0,0,0,0,0|1,0,0]=3 130 B5R0.3 CCC(=O)CCl AT22640 [2,0,0,0,0,0|1,0,0]=3 131 B5R0.3 CCP(Cl)CC A12755 [2,0,0,0,0,0|2,0,0]=4 132 B5R0.3 [2H]N(CC)CC D98468 [2,0,0,0,0,0|2,0,0]=4 133 B7R0.2 CC(C)CC(=O)CN F50535 [1,1,0,0,0,0|1,0,0]=3 134 B7R0.2 COC(=O)CN(C)C F21349 [1,1,0,0,0,0|2,0,0]=4 135 B7R0.2 COC(=O)C[C@H](C)N N13255 [1,1,0,0,0,0|1,0,0]=3 136 B7R0.3 CCC(=O)OCOC D72002 [1,1,0,0,0,0|1,0,0]=3 137 B7R0.3 CCCNC(=O)CN C78397 [1,1,0,0,0,0|1,0,0]=3 138 B7R0.3 CCONC(=O)CN AT14835 [1,1,0,0,0,0|2,0,0]=4 139 B7R0.3 CNC(=O)NCCO AT23083 [1,1,0,0,0,0|2,0,0]=4 140 B7R0.3 CNC(=O)OCCO AT13707 [1,1,0,0,0,0|2,0,0]=4 141 B7R0.3 CNOCC(=O)OC AT14517 [1,1,0,0,0,0|2,0,0]=4 142 B7R0.3 COC(=N)CCCCl C76486 [1,1,0,0,0,0|2,0,0]=4 143 B7R0.3 COC(=O)CCCN 32601 [1,1,0,0,0,0|1,0,0]=3 144 B7R0.3 COC(=O)NCCN AT13709 [1,1,0,0,0,0|2,0,0]=4 145 B7R0.5 CC(C)C(=O)NCO 81303 [1,1,0,0,0,0|2,0,0]=4 146 B7R0.5 CCCC(=O)C(N)=O AC9508 [1,1,0,0,0,0|1,0,1]=4 147 B7R0.5 CCOC(=N)C(C)C W12825 [1,1,0,0,0,0|2,0,0]=4 148 B7R0.5 CN(C)C(=O)CCCl F53638 [1,1,0,0,0,0|2,0,0]=4 149 B7R0.5 CN(C)C(=O)CCN P17578 [1,1,0,0,0,0|2,0,0]=4 150 B7R0.10 C=C(CC)C(=O)OC 82635 [1,1,0,0,0,0|1,0,1]=4 151 B7R0.10 CNC(=O)[C@@H](N)CO N10757 [1,1,0,0,0,0|2,0,0]=4 152 B7R0.10 COC(=O)[C@@H](Br)CF AT23055 [1,1,0,0,0,0|2,0,0]=4 153 B7R0.10 COC(=O)[C@@H](F)CN 94842 [1,1,0,0,0,0|2,0,0]=4 154 B7R0.10 COC(=O)[C@@H](N)CO D87908 [1,1,0,0,0,0|2,0,0]=4 155 B7R0.10 COC(=O)[C@@H](O)CN A11345 [1,1,0,0,0,0|2,0,0]=4 156 B7R0.10 COC(=O)[C@H](C)OC 29231 [1,1,0,0,0,0|2,0,0]=4 157 B7R0.11 CCCC(C)(C)CC T71064 [1,1,0,0,0,0|1,0,1]=4 158 B7R0.11 CCS(=O)(=O)CCN AT25558 [1,1,0,0,0,0|2,0,0]=4 159 B7R0.1 C=CC\C=C\CCC T72633 [1,1,0,0,0,0|0,0,2]=4 160 B7R0.1 CNCCCCCO AT11157 [1,1,0,0,0,0|1,0,1]=4 161 B7R0.1 CNCCCCCO AT11158 [1,1,0,0,0,0|1,0,1]=4 162 B7R0.1 COCCNCCO AT12488 [1,1,0,0,0,0|2,0,0]=4 163 B7R0.1 COCCOCCN F50617 [1,1,0,0,0,0|2,0,0]=4 164 B7R0.1 COCCOCCS AT10124 [1,1,0,0,0,0|2,0,0]=4 165 B7R0.1 C\C=C/CCCCC T72919 [1,1,0,0,0,0|0,0,2]=4 166 B7R0.1 NCCSCCCO AT25557 [1,1,0,0,0,0|2,0,0]=4 167 B7R0.1 OCCCCCCI AT14272 [1,1,0,0,0,0|1,0,1]=4 168 B7R0.1 OCCCNCCO FD7298 [1,1,0,0,0,0|2,0,0]=4 169 B7R0.1 OCC\C=C\CCO AT19969 [1,1,0,0,0,0|1,0,1]=4 170 B7R0.4 CC(C)CSCCN AT25570 [1,1,0,0,0,0|2,0,0]=4 171 B9R0.4 CCOCC(=O)OC(C)C 94622 [0,2,0,0,0,0|1,0,0]=3 172 B9R0.5 C#CCOCC(=O)OCC AT18918 [0,2,0,0,0,0|1,0,1]=4 173 B9R0.5 CCOC(=O)CCCNC AB10379 [0,2,0,0,0,0|1,0,0]=3 174 B9R0.5 CCOC(=O)CNCCN FD21627 [0,2,0,0,0,0|1,0,0]=3 175 B9R0.18 CCCCC(C)CCCC T71863 [0,2,0,0,0,0|1,0,1]=4 176 B9R0.34 C=C[C@@H](O)CC(=O)OCC AC6052 [0,2,0,0,0,0|1,0,1]=4 177 B9R0.34 CCCC(C)CC(C)CC T70352 [0,2,0,0,0,0|1,0,1]=4 178 B9R0.34 CCOC(=O)C[C@H](O)CBr 11423 [0,2,0,0,0,0|1,0,0]=3 179 B9R0.34 CCOC(=O)C[C@H](O)CI CS2877 [0,2,0,0,0,0|1,0,0]=3 180 B9R0.48 CCOC(=O)\C=C\C(C)C W15771 [0,2,0,0,0,0|1,0,1]=4 181 B9R0.6 CCOC(=O)[C@@H](N)C(C)=O 93013 [0,2,0,0,0,0|1,0,1]=4 182 B9R0.19 CCOC(=O)C(F)(F)CO C15704 [0,2,0,0,0,0|2,0,0]=4 183 B9R0.19 CCOC(=O)[C@@](C)(N)CC D78556 [0,2,0,0,0,0|1,0,0]=3 184 B9R0.37 CCOC(=O)[C@@H](CC)CN 97590 [0,2,0,0,0,0|1,0,0]=3 185 B9R0.44 C=CCC(=O)CC(C)(C)C F30715 [0,2,0,0,0,0|0,0,2]=4 186 B9R0.44 CC(C)(C)OC(=O)CCCl C15988 [0,2,0,0,0,0|2,0,0]=4 187 B9R0.44 CCOC(=O)NC(C)(C)C AC9360 [0,2,0,0,0,0|2,0,0]=4 188 B9R0.15 CCC[C@H](OCC)C(=O)O AC7206 [0,2,0,0,0,0|1,0,1]=4 189 B9R0.17 CCCC(CCC)CCC AC8922 [0,2,0,0,0,0|1,0,1]=4 190 B7R1.1 CCC1CCCC1 T71889 [1,0,0,1,0,0|1,0,1]=4 191 B7R1.1 CC[C@H]1CCCN1 N12693 [1,0,0,1,0,0|1,0,1]=4 192 B7R1.2 CN1CCC(=O)C1 64219 [1,0,0,1,0,0|1,0,0]=3 193 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [1,0,0,1,0,0|1,0,0]=3 194 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [1,0,0,1,0,0|1,0,0]=3 195 B7R1.2 C[C@H]1CC[C@@H](C)C1 T70658 [1,0,0,1,0,0|1,0,1]=4 196 B7R1.2 C[C@H]1CNC(=O)O1 C13778 [1,0,0,1,0,0|2,0,0]=4 197 B7R1.2 C[C@H]1COC(=O)N1 C77658 [1,0,0,1,0,0|2,0,0]=4 198 B7R1.2 C[C@H]1NCC(=O)N1 F31285 [1,0,0,1,0,0|2,0,0]=4 199 B7R1.2 C[C@H]1NCC(=O)N1 F31286 [1,0,0,1,0,0|2,0,0]=4 200 B7R1.2 N[C@H]1CCC(=O)C1 C14417 [1,0,0,1,0,0|1,0,0]=3 201 B7R1.2 O=C1CC[C@H](F)C1 P11910 [1,0,0,1,0,0|1,0,0]=3 202 B7R1.2 O=C1C[C@H](S)CN1 39278 [1,0,0,1,0,0|2,0,0]=4 203 B7R1.3 C=C1CCCNC1 W15931 [1,0,0,1,0,0|2,0,0]=4 204 B7R1.3 C=C1CCNCC1 33821 [1,0,0,1,0,0|2,0,0]=4 205 B7R1.3 ClC1=CCCCC1 FD10699 [1,0,0,1,0,0|1,0,1]=4 206 B7R1.3 O=S1CCOCC1 A51207 [1,0,0,1,0,0|2,0,0]=4 207 B7R1.3 S=C1CCCCC1 N16924 [1,0,0,1,0,0|0,1,0]=3 208 B7R1.4 C[C@@H]1CCC[C@@H]1N 97379 [1,0,0,1,0,0|1,0,1]=4 209 B7R1.4 C[C@H]1CCNC1=O C74322 [1,0,0,1,0,0|1,0,0]=3 210 B7R1.4 C[C@H]1CNCC1=O F13737 [1,0,0,1,0,0|1,0,0]=3 211 B7R1.4 C[C@H]1COCC1=O AT13358 [1,0,0,1,0,0|1,0,0]=3 212 B7R1.4 N[C@H]1CCOC1=O S11138 [1,0,0,1,0,0|2,0,0]=4 213 B7R1.4 O=C1CCCC1=O AC2232 [1,0,0,1,0,0|1,0,1]=4 214 B7R1.8 N#C[C@H]1CCC1=O 98576 [1,0,0,1,0,0|1,0,1]=4 215 B7R1.21 CCCC1(O)CC1 AT11368 [1,0,0,1,0,0|0,0,2]=4 216 B7R1.22 CCC(=O)C1CC1 P11281 [1,0,0,1,0,0|0,0,0]=2 217 B7R1.22 NCC(=O)C1CC1 C77542 [1,0,0,1,0,0|1,0,0]=3 218 B7R1.7 NCCOC1CC1 AT11523 [1,0,0,1,0,0|2,0,0]=4 219 B7R1.7 OCCNC1CC1 AT25786 [1,0,0,1,0,0|2,0,0]=4 220 B7R1.24 C1=CCCNCC1 C13802 [1,0,0,1,0,0|1,0,1]=4 221 B7R1.24 C1CCCNCC1 D77224 [1,0,0,1,0,0|1,0,0]=3 222 B7R1.24 C1CCNNCC1 AB9014 [1,0,0,1,0,0|2,0,0]=4 223 B7R1.24 C1CNCCSC1 W16417 [1,0,0,1,0,0|2,0,0]=4 224 B9R1.2 CC[C@H]1CC(=O)CCN1 S10989 [0,1,0,1,0,0|1,0,0]=3 225 B9R1.2 CN1CCC[C@H](C=O)C1 I11140 [0,1,0,1,0,0|1,0,1]=4 226 B9R1.2 CN1CCC[C@H](CN)C1 D78816 [0,1,0,1,0,0|2,0,0]=4 227 B9R1.2 CN1CCC[C@H](CN)C1 P11113 [0,1,0,1,0,0|2,0,0]=4 228 B9R1.2 CN[C@@H]1CCC[C@H](O)C1 H11103 [0,1,0,1,0,0|0,0,2]=4 229 B9R1.2 COC1=CC(=O)CCC1 63648 [0,1,0,1,0,0|0,0,2]=4 230 B9R1.8 CCCC1CCNCC1 C75224 [0,1,0,1,0,0|1,0,1]=4 231 B9R1.8 CCC[C@H]1CCCCN1 F16887 [0,1,0,1,0,0|1,0,1]=4 232 B9R1.12 BrCCCN1CCCC1 D88134 [0,1,0,1,0,0|2,0,0]=4 233 B9R1.12 CCCC[C@H]1CCCN1 N12661 [0,1,0,1,0,0|1,0,1]=4 234 B9R1.12 CNCCC1CCCC1 P11107 [0,1,0,1,0,0|1,0,1]=4 235 B9R1.12 CNCC[C@H]1CCCO1 F20641 [0,1,0,1,0,0|0,0,2]=4 236 B9R1.12 NCCCC1CCCC1 F20043 [0,1,0,1,0,0|1,0,1]=4 237 B9R1.15 CCC1CCCCC1C T72380 [0,1,0,1,0,0|1,0,1]=4 238 B9R1.15 CCC1CCCCC1O D90497 [0,1,0,1,0,0|0,0,2]=4 239 B9R1.15 CCN1CCCNC1=O AT26678 [0,1,0,1,0,0|1,0,0]=3 240 B9R1.15 CC[C@H]1CNCCC1=O O11002 [0,1,0,1,0,0|0,0,0]=2 241 B9R1.15 N#C[C@H]1CCNCC1=O AB9876 [0,1,0,1,0,0|1,0,1]=4 242 B9R1.15 O=C1CCCC[C@@H]1CO F18113 [0,1,0,1,0,0|1,0,0]=3 243 B9R1.15 O=C[C@@H]1CCCCC1=O AT23975 [0,1,0,1,0,0|1,0,1]=4 244 B9R1.27 CC[C@@H]1C(=O)NN=C1C H11582 [0,1,0,1,0,0|1,0,1]=4 245 B9R1.33 CN1CCC[C@@H]1CCN P11249 [0,1,0,1,0,0|2,0,0]=4 246 B9R1.33 CN1CCC[C@@H]1CCN P15959 [0,1,0,1,0,0|2,0,0]=4 247 B9R1.33 CN1CCC[C@@H]1CCN P17927 [0,1,0,1,0,0|2,0,0]=4 248 B9R1.33 COC[C@H]1CCCN1N 80504 [0,1,0,1,0,0|2,0,0]=4 249 B9R1.33 COC[C@H]1CCCN1N D87929 [0,1,0,1,0,0|2,0,0]=4 250 B9R1.33 COC[C@H]1CCNC1=O AT19084 [0,1,0,1,0,0|1,0,0]=3 251 B9R1.33 N#CCN1CCCC1=O W15995 [0,1,0,1,0,0|1,0,1]=4 252 B9R1.33 O=C1NCC[C@@H]1CCO AT19068 [0,1,0,1,0,0|1,0,0]=3 253 B9R1.33 O=C1OCCN1CCBr AT18747 [0,1,0,1,0,0|2,0,0]=4 254 B9R1.48 CN1CCCC[C@H](N)C1 AT11195 [0,1,0,1,0,0|2,0,0]=4 255 B9R1.48 CN1CCCNC(=O)C1 AT20054 [0,1,0,1,0,0|1,0,0]=3 256 B9R1.48 C[C@H]1CN(C)CCCN1 90920 [0,1,0,1,0,0|2,0,0]=4 257 B9R1.49 O=C1CCNC(=O)CC1 C91705 [0,1,0,1,0,0|1,0,1]=4 258 B9R1.69 CC1CC(N)CCN1C P11329 [0,1,0,1,0,0|1,0,1]=4 259 B9R1.69 CN1CC[C@H](N)CC1=O P10312 [0,1,0,1,0,0|2,0,0]=4 260 B9R1.69 C[C@H]1CNC(=O)CC1=O 27246 [0,1,0,1,0,0|1,0,1]=4 261 B9R1.69 O=C1C[C@@H](O)[C@@H](O)CN1 81439 [0,1,0,1,0,0|2,0,0]=4 262 B9R1.73 CCOC(=O)C1CSC1 F18444 [0,1,0,1,0,0|1,0,0]=3 263 B9R1.73 CCOC(=O)[C@@H]1CCN1 C16350 [0,1,0,1,0,0|1,0,0]=3 264 B9R1.73 CCOC(=O)[C@@H]1CCN1 D87602 [0,1,0,1,0,0|1,0,0]=3 265 B9R1.75 CNCC(=O)NC1CC1 F52060 [0,1,0,1,0,0|1,0,0]=3 266 B9R1.3 CC1CCCC(C)C1C T71900 [0,1,0,1,0,0|1,0,1]=4 267 B9R1.5 CN1CCNCCC1=O AT20060 [0,1,0,1,0,0|2,0,0]=4 268 B9R1.5 C[C@@H]1OCCCNC1=O 73063 [0,1,0,1,0,0|2,0,0]=4 269 B9R1.5 N[C@H]1CCCCC[C@@H]1O AT10930 [0,1,0,1,0,0|0,0,2]=4 270 B9R1.5 N[C@H]1CSCCNC1=O C16734 [0,1,0,1,0,0|2,0,0]=4 271 B9R1.5 O=C1CCCCC[C@@H]1Br AT20921 [0,1,0,1,0,0|0,0,0]=2 272 B9R1.5 O=C1CCCCC[C@@H]1Cl T71318 [0,1,0,1,0,0|0,0,0]=2 273 B9R1.5 O=C1CCNCC[C@@H]1Br C90706 [0,1,0,1,0,0|1,0,0]=3 274 B9R1.5 O=C1NCCCC[C@@H]1Br F50955 [0,1,0,1,0,0|1,0,0]=3 275 B9R1.11 CC[C@H](N)C1CCCC1 N12792 [0,1,0,1,0,0|1,0,1]=4 276 B9R1.11 CC[C@H](N)C1CCCC1 N14676 [0,1,0,1,0,0|1,0,1]=4 277 B9R1.11 CC[C@H](N)C1CCCC1 N14677 [0,1,0,1,0,0|1,0,1]=4 278 B9R1.37 CC1C(O)CC(=O)N1C AT19118 [0,1,0,1,0,0|2,0,0]=4 279 B9R1.74 CCOC(=O)C1(Cl)CC1 96432 [0,1,0,1,0,0|1,0,0]=3 280 B9R1.101 C[C@H](C#N)C(=O)C1CC1 84150 [0,1,0,1,0,0|1,0,1]=4 281 B9R1.132 CN[C@H]1CCN(C)C1=O AT19093 [0,1,0,1,0,0|2,0,0]=4 282 B9R1.202 C[C@]1(CO)CCNC1=O AT19085 [0,1,0,1,0,0|2,0,0]=4 283 B9R1.13 C[C@H](N)CC1CCCC1 N12947 [0,1,0,1,0,0|1,0,1]=4 284 B9R1.13 C[C@H](O)CN1CCCC1 AT24864 [0,1,0,1,0,0|2,0,0]=4 285 B9R1.13 C[C@H](O)CN1CCCC1 AT24866 [0,1,0,1,0,0|2,0,0]=4 286 B9R1.34 CC1CC(=O)CC(C)N1 F12422 [0,1,0,1,0,0|0,0,0]=2 287 B9R1.34 CC1CC(=O)CC(C)S1 89934 [0,1,0,1,0,0|0,0,0]=2 288 B9R1.34 CC1CC(=O)NC(=O)C1 D73894 [0,1,0,1,0,0|1,0,1]=4 289 B9R1.34 CC1CC(O)CC(C)N1 32765 [0,1,0,1,0,0|0,0,2]=4 290 B9R1.34 CC1CC(O)CC(C)O1 AT13096 [0,1,0,1,0,0|0,0,2]=4 291 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 S11085 [0,1,0,1,0,0|0,0,0]=2 292 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 P14538 [0,1,0,1,0,0|0,0,0]=2 293 B9R1.41 CC(=O)[C@@H]1CCCC1=O F17111 [0,1,0,1,0,0|0,0,1]=3 294 B9R1.41 CC(C)[C@@H]1CCNC1=O D72753 [0,1,0,1,0,0|1,0,0]=3 295 B9R1.41 CN(C)[C@H]1CCNC1=O AT19092 [0,1,0,1,0,0|2,0,0]=4 296 B9R1.66 CC1(C)CC(=O)CCS1 89936 [0,1,0,1,0,0|1,0,0]=3 297 B9R1.66 CC1(C)CC=CC(=O)C1 F12457 [0,1,0,1,0,0|0,0,2]=4 298 B9R1.66 CC1(C)CCC[C@H](O)C1 F20634 [0,1,0,1,0,0|0,0,2]=4 299 B9R1.66 C[C@H]1CCCC(C)(C)C1 T72270 [0,1,0,1,0,0|1,0,1]=4 300 B9R1.66 C[C@H]1CS(=O)(=O)CCN1 AT10760 [0,1,0,1,0,0|2,0,0]=4 301 B9R1.66 C[C@H]1CS(=O)(=O)CCN1 AT10761 [0,1,0,1,0,0|2,0,0]=4 302 B9R1.66 N[C@H]1CCCS(=O)(=O)C1 AT10979 [0,1,0,1,0,0|2,0,0]=4 303 B9R1.66 O=C1CC(F)(F)CCN1 P21020 [0,1,0,1,0,0|2,0,0]=4 304 B9R1.66 O=C1CCCS(=O)(=O)C1 AT13044 [0,1,0,1,0,0|2,0,0]=4 305 B9R1.66 O=S1(=O)CCC[C@H](O)C1 AT13041 [0,1,0,1,0,0|2,0,0]=4 306 B9R1.137 O=C(C[N+](=O)[O-])C1CC1 W10351 [0,1,0,1,0,0|2,0,0]=4 307 B9R1.171 C[C@H](O)CC1(N)CCC1 91971 [0,1,0,1,0,0|1,0,1]=4 308 B9R1.89 O=CC1CCCCCC1 AT13628 [0,1,0,1,0,0|0,0,1]=3 309 B9R1.24 O=S1(=O)CCC[C@@H]1CO AT13048 [0,1,0,1,0,0|2,0,0]=4 310 B9R1.109 CCOS(=O)(=O)C1CC1 S11650 [0,1,0,1,0,0|2,0,0]=4 311 B9R2.39 CC1=CC2CCC1C2 75573 [0,0,0,2,0,0|1,0,1]=4 312 B9R2.39 NC1CC2CCC1C2 F30523 [0,0,0,2,0,0|1,0,1]=4 313 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 AT24377 [0,0,0,2,0,0|1,0,1]=4 314 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 AT24388 [0,0,0,2,0,0|1,0,1]=4 315 B9R2.39 N[C@H]1C[C@H]2CC[C@@H]1C2 AT24387 [0,0,0,2,0,0|1,0,1]=4 316 B9R2.39 O=C1OC2CCC1C2 P17974 [0,0,0,2,0,0|1,0,0]=3 317 B9R2.7 O=C1C[C@@H]2C=CC[C@H]12 F12960 [0,0,0,2,0,0|0,0,2]=4 318 B9R2.7 O=C1N[C@H]2CCC[C@@H]12 F12974 [0,0,0,2,0,0|1,0,0]=3 319 B9R2.5 O=C1OCCC12CC2 33775 [0,0,0,2,0,0|1,0,0]=3 320 B9R2.5 O[C@H]1CCCC12CC2 92333 [0,0,0,2,0,0|0,0,2]=4