0 B6R0.1 C=CC[C@H](N)CO N11070 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 C=CC[C@H](N)CO N11385 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 C=CC[C@H](N)CO N15485 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.1 C=CC[C@H](O)CN AT10905 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.1 C=C[C@@H](C)CCC T72328 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.1 C=C[C@@H](O)CC#N F19703 [0,0,0,0,0,0|1,0,3]=4 6 B6R0.1 CCC[C@H](C)CBr S11885 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.1 CCNC(=O)OC C16084 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.1 CCOC(=N)CCl AC8745 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.1 CCOC(=S)SC AC9840 [0,0,0,0,0,0|2,1,1]=4 10 B6R0.1 CC[C@H](N)CCO AT22371 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.1 CC[C@H](N)COC D87652 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.1 CC[C@H](N)COC D87653 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.1 CC[C@H](O)CC#N A50899 [0,0,0,0,0,0|1,0,1]=2 14 B6R0.1 CNC[C@@H](C)CN T70175 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.1 CNC[C@H](O)CO 56523 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.1 CNC[C@H](O)CO 56531 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.1 COCC(=O)CCl D85993 [0,0,0,0,0,0|2,0,2]=4 18 B6R0.1 COCC(=O)OC F53343 [0,0,0,0,0,0|2,0,2]=4 19 B6R0.1 COC[C@@H](C)CO O10176 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.1 COC[C@@H](N)CO 91276 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.1 COC[C@@H](N)CO 91277 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.1 COC[C@@H](N)CO C90595 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.1 COC[C@@H](O)CN 94766 [0,0,0,0,0,0|2,0,0]=2 24 B6R0.1 COC[C@@H](O)CN 98632 [0,0,0,0,0,0|2,0,0]=2 25 B6R0.1 COC[C@H](C)C#N C77646 [0,0,0,0,0,0|3,0,1]=4 26 B6R0.1 COC[C@H](N)C#N AT12993 [0,0,0,0,0,0|3,0,1]=4 27 B6R0.1 CSC[C@@H](N)CO 96818 [0,0,0,0,0,0|3,0,0]=3 28 B6R0.1 CSC[C@@H](N)CO 96819 [0,0,0,0,0,0|3,0,0]=3 29 B6R0.1 C[C@H](CN)CCO AT20757 [0,0,0,0,0,0|3,0,0]=3 30 B6R0.1 C[C@H](CO)CCO 96740 [0,0,0,0,0,0|3,0,0]=3 31 B6R0.1 NC[C@@H](N)CCO AT20759 [0,0,0,0,0,0|3,0,0]=3 32 B6R0.1 N[C@H](CO)CCO AB10001 [0,0,0,0,0,0|3,0,0]=3 33 B6R0.1 O[C@H](CCl)CCCl T70626 [0,0,0,0,0,0|2,0,0]=2 34 B5R0.1 C#CC[C@H](C)N AT12968 [1,0,0,0,0,0|1,0,2]=4 35 B5R0.1 C=C(C)CCC D91296 [1,0,0,0,0,0|1,0,1]=3 36 B5R0.1 C=CC[C@H](C)N AT12969 [1,0,0,0,0,0|1,0,2]=4 37 B5R0.1 CC(=O)CCBr D82681 [1,0,0,0,0,0|1,0,2]=4 38 B5R0.1 CC(C)CNN AR2531 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.1 CCC[C@H](C)N N10856 [1,0,0,0,0,0|1,0,0]=2 40 B5R0.1 CCC[C@H](C)N N15476 [1,0,0,0,0,0|1,0,0]=2 41 B5R0.1 CN(C)CCBr F20843 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.1 CNCC(C)=O 72642 [1,0,0,0,0,0|1,0,2]=4 43 B5R0.1 CONC(C)C AT24926 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.1 CSC[C@H](C)N AT10784 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.1 C[C@H](N)CC#N N14213 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.1 C[C@H](N)CCO 83613 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.1 C[C@H](N)CCO 83649 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.1 C[C@H](O)CCN D77181 [1,0,0,0,0,0|1,0,0]=2 49 B5R0.1 C[C@H](O)CCN D77194 [1,0,0,0,0,0|1,0,0]=2 50 B5R0.1 C[C@H](O)CNN W10671 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.1 C[C@H](O)CON AT14481 [1,0,0,0,0,0|2,0,0]=3 52 B5R0.1 C[S@](=O)CCN AT24516 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.1 C[S@](=O)CCN AT24517 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.1 C[S@](=O)CCO E72546 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.1 C\C=C/C(C)C T72834 [1,0,0,0,0,0|1,0,2]=4 56 B5R0.1 NCCC(=O)O T70551 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.1 NCC[P@H](=O)O S12399 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.2 C#CCCOC AC9661 [1,0,0,0,0,0|1,0,2]=4 59 B5R0.2 C#CCNCC AT19974 [1,0,0,0,0,0|1,0,2]=4 60 B5R0.2 CC#CCNC AT19972 [1,0,0,0,0,0|1,0,2]=4 61 B5R0.2 CCCC#CI T71796 [1,0,0,0,0,0|1,0,2]=4 62 B5R0.2 CCCCNN AC6660 [1,0,0,0,0,0|2,0,0]=3 63 B5R0.2 CCCCNO AT14838 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.2 CCCNOC AT24927 [1,0,0,0,0,0|2,0,0]=3 65 B5R0.2 CNCCSC D87904 [1,0,0,0,0,0|2,0,0]=3 66 B5R0.2 COCCNN AC7088 [1,0,0,0,0,0|3,0,0]=4 67 B5R0.2 CONCCO AT24903 [1,0,0,0,0,0|3,0,0]=4 68 B5R0.2 C\C=C\CCN AT22492 [1,0,0,0,0,0|1,0,2]=4 69 B5R0.2 N#CCCCN N13271 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.2 NCCCNN W10659 [1,0,0,0,0,0|3,0,0]=4 71 B5R0.2 NCCCNO AT14843 [1,0,0,0,0,0|3,0,0]=4 72 B5R0.2 NNCCCO W10664 [1,0,0,0,0,0|3,0,0]=4 73 B5R0.2 NOCCCO P16653 [1,0,0,0,0,0|3,0,0]=4 74 B5R0.2 [2H]OCCCC D98922 [1,0,0,0,0,0|2,0,0]=3 75 B5R0.3 C#C[C@@H](C)CC W11641 [1,0,0,0,0,0|1,0,2]=4 76 B5R0.3 C=C(CC)CBr C77504 [1,0,0,0,0,0|2,0,1]=4 77 B5R0.3 C=C(CC)CC D90428 [1,0,0,0,0,0|1,0,1]=3 78 B5R0.3 CC(CI)CI AC4732 [1,0,0,0,0,0|3,0,0]=4 79 B5R0.3 CCC(=O)CCl AT22640 [1,0,0,0,0,0|1,0,2]=4 80 B5R0.3 CCP(Cl)CC A12755 [1,0,0,0,0,0|2,0,0]=3 81 B5R0.3 CC[C@H](C)CBr D86395 [1,0,0,0,0,0|2,0,0]=3 82 B5R0.3 CC[C@H](C)CN 88661 [1,0,0,0,0,0|2,0,0]=3 83 B5R0.3 CC[C@H](C)CO 88660 [1,0,0,0,0,0|2,0,0]=3 84 B5R0.3 CC[C@H](C)NN AB8698 [1,0,0,0,0,0|3,0,0]=4 85 B5R0.3 CC[C@H](C)ON AT14504 [1,0,0,0,0,0|3,0,0]=4 86 B5R0.3 CC[C@H](N)C#N AT12684 [1,0,0,0,0,0|2,0,1]=4 87 B5R0.3 CC[C@H](N)C#N AT12685 [1,0,0,0,0,0|2,0,1]=4 88 B5R0.3 CC[C@H](N)C#N N14345 [1,0,0,0,0,0|2,0,1]=4 89 B5R0.3 CO[C@@H](C)CN 91000 [1,0,0,0,0,0|3,0,0]=4 90 B5R0.3 C[C@@H](CO)CBr C16753 [1,0,0,0,0,0|3,0,0]=4 91 B5R0.3 NC[C@H](F)CO AT21904 [1,0,0,0,0,0|3,0,0]=4 92 B5R0.3 O=C[C@@H](O)CO C15860 [1,0,0,0,0,0|2,0,1]=4 93 B5R0.3 O=C[C@@H](O)CO S10019 [1,0,0,0,0,0|2,0,1]=4 94 B5R0.3 OCC(F)CO AT19575 [1,0,0,0,0,0|3,0,0]=4 95 B5R0.3 [2H]N(CC)CC D98468 [1,0,0,0,0,0|2,0,0]=3 96 B7R0.2 C=C(C)C[C@@H](C)CC T70395 [0,1,0,0,0,0|1,0,1]=3 97 B7R0.2 CC(C)CC(=O)CN F50535 [0,1,0,0,0,0|1,0,2]=4 98 B7R0.2 CC(C)C[C@H](N)C#N AC6684 [0,1,0,0,0,0|2,0,1]=4 99 B7R0.2 CC(C)C[C@H](N)C#N AC7744 [0,1,0,0,0,0|2,0,1]=4 100 B7R0.2 CN[C@@H](C)CC(F)F AT22542 [0,1,0,0,0,0|3,0,0]=4 101 B7R0.2 COC(=O)C[C@H](C)N N13255 [0,1,0,0,0,0|1,0,2]=4 102 B7R0.2 C[C@@H](CN)CN(C)C F12739 [0,1,0,0,0,0|3,0,0]=4 103 B7R0.3 CC#CC[C@@H](O)CC T72024 [0,1,0,0,0,0|0,0,1]=2 104 B7R0.3 CC#CC[C@H](N)CO D75108 [0,1,0,0,0,0|2,0,1]=4 105 B7R0.3 CCC(=O)OCOC D72002 [0,1,0,0,0,0|1,0,2]=4 106 B7R0.3 CCCC[C@H](N)CO D75114 [0,1,0,0,0,0|2,0,0]=3 107 B7R0.3 CCCC[C@H](N)CO H10583 [0,1,0,0,0,0|2,0,0]=3 108 B7R0.3 CCCNC(=O)CN C78397 [0,1,0,0,0,0|1,0,2]=4 109 B7R0.3 CCSC[C@H](C)NN D88052 [0,1,0,0,0,0|3,0,0]=4 110 B7R0.3 CC[C@H](O)CCC#N F51112 [0,1,0,0,0,0|0,0,1]=2 111 B7R0.3 COC(=N)CCCCl C76486 [0,1,0,0,0,0|2,0,1]=4 112 B7R0.3 COC(=O)CCCN 32601 [0,1,0,0,0,0|1,0,2]=4 113 B7R0.3 C[C@@H](CCCO)NN D88053 [0,1,0,0,0,0|3,0,0]=4 114 B7R0.3 C\C=C\C[C@@H](C)CC T72110 [0,1,0,0,0,0|1,0,1]=3 115 B7R0.5 CC(=O)[C@@H](C)CCBr AC2947 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.5 CC(C)[C@@H](N)CCO F53378 [0,1,0,0,0,0|2,0,0]=3 117 B7R0.5 CC(C)[C@@H](N)CCO F53539 [0,1,0,0,0,0|2,0,0]=3 118 B7R0.5 CC(C)[C@@H](N)CCO F53816 [0,1,0,0,0,0|2,0,0]=3 119 B7R0.5 CC(C)[C@@H](O)CON AT14521 [0,1,0,0,0,0|2,0,0]=3 120 B7R0.5 CCC[C@H](O)C(N)=O AC9726 [0,1,0,0,0,0|1,0,1]=3 121 B7R0.5 CCOC(=N)C(C)C W12825 [0,1,0,0,0,0|2,0,1]=4 122 B7R0.5 COC[C@H](N)C(C)C 71787 [0,1,0,0,0,0|2,0,0]=3 123 B7R0.7 CCC[C@H](N)CCO N15481 [0,1,0,0,0,0|1,0,0]=2 124 B7R0.7 CCC[C@H](N)CCO N15482 [0,1,0,0,0,0|1,0,0]=2 125 B7R0.7 CCOC(=O)CCN F19878 [0,1,0,0,0,0|1,0,2]=4 126 B7R0.7 CCS[C@@H](C)CC=O D86335 [0,1,0,0,0,0|2,0,1]=4 127 B7R0.7 COCC(Br)COC D74902 [0,1,0,0,0,0|2,0,0]=3 128 B7R0.7 COCC(N)COC AT12494 [0,1,0,0,0,0|2,0,0]=3 129 B7R0.7 O=C(CCBr)CCBr 52047 [0,1,0,0,0,0|1,0,2]=4 130 B7R0.10 CCC(C)C(N)CO D75056 [0,1,0,0,0,0|2,0,0]=3 131 B7R0.10 COC(=O)[C@@H](O)CN A11345 [0,1,0,0,0,0|2,0,1]=4 132 B7R0.10 O=C[C@@H](O)[C@@H](O)CO T72661 [0,1,0,0,0,0|2,0,1]=4 133 B7R0.11 C=CC(C)(C)CCC T70796 [0,1,0,0,0,0|1,0,2]=4 134 B7R0.11 CC(C)(CCl)CCCl F11287 [0,1,0,0,0,0|3,0,0]=4 135 B7R0.11 CC(C)(CN)CCO AT20760 [0,1,0,0,0,0|3,0,0]=4 136 B7R0.11 CCCC(C)(C)CC T71064 [0,1,0,0,0,0|1,0,0]=2 137 B7R0.11 CCOC(C)(C)CC D78478 [0,1,0,0,0,0|2,0,0]=3 138 B7R0.11 CCS(=O)(=O)CCN AT25558 [0,1,0,0,0,0|2,0,1]=4 139 B7R0.12 C#CCC(OC)OC 51903 [0,1,0,0,0,0|1,0,2]=4 140 B7R0.12 CCN(CC)CCN 95353 [0,1,0,0,0,0|3,0,0]=4 141 B7R1.1 C#C[C@@H]1CCCN1 P11309 [0,0,0,1,0,0|1,0,2]=4 142 B7R1.1 C#C[C@@H]1CCCN1 P12571 [0,0,0,1,0,0|1,0,2]=4 143 B7R1.1 C#C[C@@H]1CCCN1 P12581 [0,0,0,1,0,0|1,0,2]=4 144 B7R1.1 C#C[C@@H]1CCCN1 P15993 [0,0,0,1,0,0|1,0,2]=4 145 B7R1.1 CCC1CCCC1 T71889 [0,0,0,1,0,0|1,0,0]=2 146 B7R1.1 CC[C@H]1CCCN1 N12693 [0,0,0,1,0,0|1,0,0]=2 147 B7R1.1 CN[C@H]1CCNC1 C14692 [0,0,0,1,0,0|3,0,0]=4 148 B7R1.1 CN[C@H]1CCOC1 P13110 [0,0,0,1,0,0|3,0,0]=4 149 B7R1.1 CN[C@H]1CCOC1 P13111 [0,0,0,1,0,0|3,0,0]=4 150 B7R1.1 CN[C@H]1CCSC1 D72867 [0,0,0,1,0,0|3,0,0]=4 151 B7R1.1 ClC[C@H]1CCCN1 87778 [0,0,0,1,0,0|2,0,0]=3 152 B7R1.1 ClC[C@H]1CCCN1 D76474 [0,0,0,1,0,0|2,0,0]=3 153 B7R1.1 ClC[C@H]1CCOC1 N12624 [0,0,0,1,0,0|3,0,0]=4 154 B7R1.1 FC[C@H]1CCCN1 AT24807 [0,0,0,1,0,0|2,0,0]=3 155 B7R1.1 FC[C@H]1CCCN1 P12668 [0,0,0,1,0,0|2,0,0]=3 156 B7R1.1 N#C[C@@H]1CCCN1 74927 [0,0,0,1,0,0|2,0,1]=4 157 B7R1.1 N#C[C@@H]1CCCN1 C16310 [0,0,0,1,0,0|2,0,1]=4 158 B7R1.1 NC[C@H]1CCCN1 C16283 [0,0,0,1,0,0|2,0,0]=3 159 B7R1.1 NC[C@H]1CCCN1 FD10638 [0,0,0,1,0,0|2,0,0]=3 160 B7R1.1 NC[C@H]1CCCN1 S10708 [0,0,0,1,0,0|2,0,0]=3 161 B7R1.1 NC[C@H]1CCOC1 68889 [0,0,0,1,0,0|3,0,0]=4 162 B7R1.1 NOC1CCCC1 97656 [0,0,0,1,0,0|3,0,0]=4 163 B7R1.1 OC[C@H]1CCCN1 11147 [0,0,0,1,0,0|2,0,0]=3 164 B7R1.1 ONC1CCCC1 33366 [0,0,0,1,0,0|3,0,0]=4 165 B7R1.1 ONC1CCCC1 33756 [0,0,0,1,0,0|3,0,0]=4 166 B7R1.2 CC1CC(O)CN1 AT24888 [0,0,0,1,0,0|1,0,0]=2 167 B7R1.2 CC1CNC(C)C1 83923 [0,0,0,1,0,0|2,0,0]=3 168 B7R1.2 CN1CCC(=O)C1 64219 [0,0,0,1,0,0|1,0,2]=4 169 B7R1.2 CN1CC[C@H](N)C1 56133 [0,0,0,1,0,0|2,0,0]=3 170 B7R1.2 CN1CC[C@H](N)C1 AT11189 [0,0,0,1,0,0|2,0,0]=3 171 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [0,0,0,1,0,0|1,0,2]=4 172 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [0,0,0,1,0,0|1,0,2]=4 173 B7R1.2 C[C@@H]1C[C@H](F)CN1 73102 [0,0,0,1,0,0|2,0,0]=3 174 B7R1.2 C[C@H]1CC[C@@H](C)C1 T70658 [0,0,0,1,0,0|1,0,0]=2 175 B7R1.2 N[C@H]1CCC(=O)C1 C14417 [0,0,0,1,0,0|1,0,2]=4 176 B7R1.2 N[C@H]1CC[C@H](F)C1 C93268 [0,0,0,1,0,0|2,0,0]=3 177 B7R1.2 N[C@H]1CC[C@H](F)C1 C93270 [0,0,0,1,0,0|2,0,0]=3 178 B7R1.2 O=C1CC[C@H](F)C1 P11910 [0,0,0,1,0,0|1,0,2]=4 179 B7R1.3 Br[C@H]1CCCNC1 C14028 [0,0,0,1,0,0|2,0,0]=3 180 B7R1.3 C=C1CCCNC1 W15931 [0,0,0,1,0,0|2,0,1]=4 181 B7R1.3 C=C1CCNCC1 33821 [0,0,0,1,0,0|2,0,1]=4 182 B7R1.3 C[C@H]1CCCCN1 N14212 [0,0,0,1,0,0|2,0,0]=3 183 B7R1.3 C[C@H]1CCCNC1 F14484 [0,0,0,1,0,0|2,0,0]=3 184 B7R1.3 C[C@H]1CNCCS1 AT10751 [0,0,0,1,0,0|3,0,0]=4 185 B7R1.3 C[C@H]1CNCCS1 AT25278 [0,0,0,1,0,0|3,0,0]=4 186 B7R1.3 C[C@H]1CSCCN1 AT10756 [0,0,0,1,0,0|3,0,0]=4 187 B7R1.3 C[C@H]1CSCCN1 AT10759 [0,0,0,1,0,0|3,0,0]=4 188 B7R1.3 ClC1=CCCCC1 FD10699 [0,0,0,1,0,0|1,0,2]=4 189 B7R1.3 NN1CCNCC1 I10257 [0,0,0,1,0,0|3,0,0]=4 190 B7R1.3 NN1CCNCC1 P19252 [0,0,0,1,0,0|3,0,0]=4 191 B7R1.3 N[C@@H]1C=CCCC1 AB10372 [0,0,0,1,0,0|1,0,2]=4 192 B7R1.3 N[C@@H]1CC=CCC1 AB8978 [0,0,0,1,0,0|1,0,2]=4 193 B7R1.3 N[C@H]1CCCOC1 F31015 [0,0,0,1,0,0|2,0,0]=3 194 B7R1.3 N[C@H]1CCCOC1 P11042 [0,0,0,1,0,0|2,0,0]=3 195 B7R1.3 O=S1CCOCC1 A51207 [0,0,0,1,0,0|2,0,1]=4 196 B7R1.3 S=C1CCCCC1 N16924 [0,0,0,1,0,0|0,1,1]=3 197 B7R1.4 CC1CNCC1O 72148 [0,0,0,1,0,0|1,0,0]=2 198 B7R1.4 CC1CNCC1O AT22587 [0,0,0,1,0,0|1,0,0]=2 199 B7R1.4 C[C@@H]1CCC[C@@H]1N 97379 [0,0,0,1,0,0|1,0,0]=2 200 B7R1.4 C[C@@H]1CNC[C@@H]1N AT23641 [0,0,0,1,0,0|2,0,0]=3 201 B7R1.4 C[C@@H]1CNC[C@@H]1N F13020 [0,0,0,1,0,0|2,0,0]=3 202 B7R1.4 C[C@@H]1CNC[C@@H]1N F13021 [0,0,0,1,0,0|2,0,0]=3 203 B7R1.4 C[C@H]1CCNC1=O C74322 [0,0,0,1,0,0|1,0,2]=4 204 B7R1.4 C[C@H]1CNCC1=O F13737 [0,0,0,1,0,0|1,0,2]=4 205 B7R1.4 C[C@H]1COCC1=O AT13358 [0,0,0,1,0,0|1,0,2]=4 206 B7R1.4 F[C@H]1CNC[C@H]1F AT14980 [0,0,0,1,0,0|3,0,0]=4 207 B7R1.4 NC1CCCC1N 77840 [0,0,0,1,0,0|2,0,0]=3 208 B7R1.4 NC1COCC1O F19779 [0,0,0,1,0,0|2,0,0]=3 209 B7R1.4 N[C@@H]1CCC[C@@H]1O P12481 [0,0,0,1,0,0|1,0,0]=2 210 B7R1.4 N[C@@H]1COC[C@@H]1O F53614 [0,0,0,1,0,0|2,0,0]=3 211 B7R1.4 N[C@@H]1COC[C@@H]1O P17902 [0,0,0,1,0,0|2,0,0]=3 212 B7R1.4 N[C@H]1COC[C@@H]1O P17884 [0,0,0,1,0,0|2,0,0]=3 213 B7R1.4 OC1COCC1Br AC8201 [0,0,0,1,0,0|2,0,0]=3 214 B7R1.4 O[C@H]1CCC[C@@H]1O W19719 [0,0,0,1,0,0|1,0,0]=2 215 B7R1.4 O[C@H]1CNC[C@@H]1F P15635 [0,0,0,1,0,0|2,0,0]=3 216 B7R1.4 O[C@H]1CNC[C@@H]1O AT22802 [0,0,0,1,0,0|2,0,0]=3 217 B7R1.6 CCNC1COC1 F51700 [0,0,0,1,0,0|3,0,0]=4 218 B7R1.6 ICCC1COC1 AC4775 [0,0,0,1,0,0|3,0,0]=4 219 B7R1.6 NCCN1CCC1 F30399 [0,0,0,1,0,0|3,0,0]=4 220 B7R1.6 NNCC1CCC1 D87549 [0,0,0,1,0,0|3,0,0]=4 221 B7R1.6 OCC[C@H]1CCN1 D76473 [0,0,0,1,0,0|2,0,0]=3 222 B7R1.6 OCC[C@H]1CCN1 F50335 [0,0,0,1,0,0|2,0,0]=3 223 B7R1.8 CN1CC[C@@H]1CN P13167 [0,0,0,1,0,0|3,0,0]=4 224 B7R1.8 CN1CC[C@@H]1CN P13169 [0,0,0,1,0,0|3,0,0]=4 225 B7R1.8 CN1CC[C@@H]1CN P15774 [0,0,0,1,0,0|3,0,0]=4 226 B7R1.8 CN1CC[C@@H]1CN P15856 [0,0,0,1,0,0|3,0,0]=4 227 B7R1.8 OC[C@H]1CC[C@@H]1O D79582 [0,0,0,1,0,0|1,0,0]=2 228 B7R1.9 NC[C@@H]1C[C@@H]1CO AT20747 [0,0,0,1,0,0|3,0,0]=4 229 B7R1.9 OC[C@H]1C[C@@H]1CO AT12391 [0,0,0,1,0,0|3,0,0]=4 230 B7R1.10 CCC1CC(=O)C1 P12513 [0,0,0,1,0,0|2,0,1]=4 231 B7R1.10 CN1CC(CN)C1 AT13378 [0,0,0,1,0,0|3,0,0]=4 232 B7R1.10 CNC1CC(O)C1 AT20141 [0,0,0,1,0,0|3,0,0]=4 233 B7R1.10 COC1CC(N)C1 P12017 [0,0,0,1,0,0|3,0,0]=4 234 B7R1.10 CSC1CC(N)C1 AT20164 [0,0,0,1,0,0|3,0,0]=4 235 B7R1.10 NCC1CC(O)C1 P11686 [0,0,0,1,0,0|3,0,0]=4 236 B7R1.10 NC[C@H]1C[C@@H](O)C1 P11930 [0,0,0,1,0,0|3,0,0]=4 237 B7R1.10 NC[C@H]1C[C@H](O)C1 P12114 [0,0,0,1,0,0|3,0,0]=4 238 B7R1.10 N[C@H]1C[C@H](CO)C1 P12115 [0,0,0,1,0,0|3,0,0]=4 239 B7R1.21 CCCC1(O)CC1 AT11368 [0,0,0,1,0,0|0,0,0]=1 240 B7R1.21 CCOC1(Br)CC1 F53374 [0,0,0,1,0,0|2,0,0]=3 241 B7R1.21 CCOC1(N)CC1 AT19095 [0,0,0,1,0,0|2,0,0]=3 242 B7R1.21 NCCC1(N)CC1 50075 [0,0,0,1,0,0|2,0,0]=3 243 B7R1.21 OCCC1(O)CC1 33693 [0,0,0,1,0,0|1,0,0]=2 244 B7R1.22 C#C[C@@H](N)C1CC1 AC1318 [0,0,0,1,0,0|1,0,2]=4 245 B7R1.22 CCC(=O)C1CC1 P11281 [0,0,0,1,0,0|0,0,2]=3 246 B7R1.22 NCC(=O)C1CC1 C77542 [0,0,0,1,0,0|1,0,2]=4 247 B7R1.22 NC[C@H](N)C1CC1 I11913 [0,0,0,1,0,0|2,0,0]=3 248 B7R1.22 NC[C@H](N)C1CC1 N10759 [0,0,0,1,0,0|2,0,0]=3 249 B7R1.22 NC[C@H](O)C1CC1 V10284 [0,0,0,1,0,0|1,0,0]=2 250 B7R1.22 N[C@@H](CO)C1CC1 AT25644 [0,0,0,1,0,0|2,0,0]=3 251 B7R1.22 N[C@@H](CO)C1CC1 N11216 [0,0,0,1,0,0|2,0,0]=3 252 B7R1.25 CC1(C=O)CCC1 90943 [0,0,0,1,0,0|2,0,1]=4 253 B7R1.25 CC1(CO)CSC1 D75149 [0,0,0,1,0,0|3,0,0]=4 254 B7R1.25 CC1(CS)COC1 CS1170 [0,0,0,1,0,0|3,0,0]=4 255 B7R1.25 CCC1(N)CNC1 P11231 [0,0,0,1,0,0|2,0,0]=3 256 B7R1.25 CCC1(N)COC1 CS2262 [0,0,0,1,0,0|2,0,0]=3 257 B7R1.25 CNC1(C)COC1 39043 [0,0,0,1,0,0|3,0,0]=4 258 B7R1.25 C[C@]1(CN)CCO1 D97140 [0,0,0,1,0,0|3,0,0]=4 259 B7R1.25 NCC1(F)CNC1 P15108 [0,0,0,1,0,0|3,0,0]=4 260 B7R1.25 OCC1(F)CNC1 38894 [0,0,0,1,0,0|3,0,0]=4 261 B4R0.1 CC(C)CN T72053 [2,0,0,0,0,0|2,0,0]=4 262 B4R0.1 CC[13C](=O)O D99417 [2,0,0,0,0,0|1,0,1]=4 263 B4R0.1 CC[C@H](C)N 90231 [2,0,0,0,0,0|1,0,0]=3 264 B4R0.1 CC[C@H](C)N N12286 [2,0,0,0,0,0|1,0,0]=3 265 B4R0.1 CC[C@H](C)N N12342 [2,0,0,0,0,0|1,0,0]=3 266 B4R0.1 C[C@H](O)C#N 12324 [2,0,0,0,0,0|1,0,1]=4 267 B4R0.1 C[C@H](S)CO AC8877 [2,0,0,0,0,0|1,1,0]=4 268 B4R0.1 C[C@H](S)CS T72965 [2,0,0,0,0,0|1,1,0]=4 269 B4R0.1 [2H][C@H](Br)CC D99041 [2,0,0,0,0,0|2,0,0]=4 270 B4R0.2 CCNCC T70517 [2,0,0,0,0,0|1,0,0]=3 271 B4R0.2 CNCCS AT25552 [2,0,0,0,0,0|1,1,0]=4 272 B4R0.2 COCCS AT13674 [2,0,0,0,0,0|1,1,0]=4 273 B4R0.2 NCCCI AC8002 [2,0,0,0,0,0|2,0,0]=4 274 B4R0.2 NCCCN T70141 [2,0,0,0,0,0|2,0,0]=4 275 B4R0.2 NCCCN T70477 [2,0,0,0,0,0|2,0,0]=4 276 B4R0.2 NCCNO AT14839 [2,0,0,0,0,0|2,0,0]=4 277 B4R0.2 [2H]OCCC D99167 [2,0,0,0,0,0|2,0,0]=4 278 B6R0.2 CC(C)C[C@H](C)N 90224 [1,1,0,0,0,0|1,0,0]=3 279 B6R0.2 C[C@H](N)CN(C)C AT11417 [1,1,0,0,0,0|2,0,0]=4 280 B6R0.2 C[C@H](N)CN(C)C C78207 [1,1,0,0,0,0|2,0,0]=4 281 B6R0.2 C[C@H](N)CN(C)C C78491 [1,1,0,0,0,0|2,0,0]=4 282 B6R0.3 C=C[C@H](C)[C@H](C)O D85605 [1,1,0,0,0,0|0,0,2]=4 283 B6R0.3 C=C[C@H](C)[C@H](C)O D85606 [1,1,0,0,0,0|0,0,2]=4 284 B6R0.3 CC(C)[C@@H](O)CN V10285 [1,1,0,0,0,0|2,0,0]=4 285 B6R0.3 CC(O)C(N)CO D75101 [1,1,0,0,0,0|1,0,0]=3 286 B6R0.3 CCC(C)C(C)N 78513 [1,1,0,0,0,0|1,0,0]=3 287 B6R0.3 CCC(N)C(C)O N14662 [1,1,0,0,0,0|0,0,0]=2 288 B6R0.3 CC[C@H](N)C(C)C 74049 [1,1,0,0,0,0|1,0,0]=3 289 B6R0.3 CC[C@H](S)C(=O)O F11548 [1,1,0,0,0,0|1,0,1]=4 290 B6R0.3 C[C@@H](O)[C@@H](N)CO D75102 [1,1,0,0,0,0|1,0,0]=3 291 B6R0.3 C[C@@H](O)[C@@H](N)CO D75104 [1,1,0,0,0,0|1,0,0]=3 292 B6R0.4 C=C(C)CCCO 71061 [1,1,0,0,0,0|1,0,1]=4 293 B6R0.4 CC(C)CCNN AC3937 [1,1,0,0,0,0|2,0,0]=4 294 B6R0.4 CC(C)OCCS AT13760 [1,1,0,0,0,0|2,0,0]=4 295 B6R0.4 CCNCC(=O)O T72729 [1,1,0,0,0,0|1,0,1]=4 296 B6R0.4 CCNC[C@H](C)O 91070 [1,1,0,0,0,0|0,0,0]=2 297 B6R0.4 C[C@H](N)CCCO AT20758 [1,1,0,0,0,0|1,0,0]=3 298 B6R0.4 C[C@H](O)CCC#N F51113 [1,1,0,0,0,0|0,0,1]=3 299 B6R0.4 C[C@H](O)CCCBr A11305 [1,1,0,0,0,0|0,0,0]=2 300 B6R0.4 C[C@H](O)CCCN AT20756 [1,1,0,0,0,0|0,0,0]=2 301 B6R0.4 NCCCC(=O)O T70552 [1,1,0,0,0,0|1,0,1]=4 302 B6R0.4 [2H][C@H](Br)CCCC D99408 [1,1,0,0,0,0|2,0,0]=4 303 B6R0.5 CC(C)(I)CCO AC4846 [1,1,0,0,0,0|2,0,0]=4 304 B6R0.5 CC(F)(F)CCO AT12474 [1,1,0,0,0,0|2,0,0]=4 305 B6R0.5 CCCC(C)(C)C D87693 [1,1,0,0,0,0|1,0,0]=3 306 B6R0.5 CCO[P@@](C)(=O)O 88048 [1,1,0,0,0,0|2,0,0]=4 307 B6R0.5 CNCC(C)(C)F F53133 [1,1,0,0,0,0|2,0,0]=4 308 B6R0.6 C#CCCCCN D76652 [1,1,0,0,0,0|0,0,2]=4 309 B6R0.6 CCNCCSC AT25567 [1,1,0,0,0,0|1,0,0]=3 310 B6R0.6 CCOCCNN AC6859 [1,1,0,0,0,0|2,0,0]=4 311 B6R0.6 CCOCCON AT14482 [1,1,0,0,0,0|2,0,0]=4 312 B6R0.6 CNCCCC#N AB10346 [1,1,0,0,0,0|1,0,1]=4 313 B6R0.6 CNCCCOC F15969 [1,1,0,0,0,0|1,0,0]=3 314 B6R0.6 COCCCC#N C77649 [1,1,0,0,0,0|1,0,1]=4 315 B6R0.6 COCCCCN C77605 [1,1,0,0,0,0|1,0,0]=3 316 B6R0.6 COCCCON AT14486 [1,1,0,0,0,0|2,0,0]=4 317 B6R0.6 C\C=C/CCCCl T71143 [1,1,0,0,0,0|0,0,2]=4 318 B6R0.6 ClCCNCCCl AB10357 [1,1,0,0,0,0|2,0,0]=4 319 B6R0.6 N#CCCCCN AC2033 [1,1,0,0,0,0|1,0,1]=4 320 B6R0.6 NCCOCCF AT12496 [1,1,0,0,0,0|2,0,0]=4 321 B6R0.6 NCCSCCO AT25550 [1,1,0,0,0,0|2,0,0]=4 322 B6R0.6 OCCNCCO AB10274 [1,1,0,0,0,0|2,0,0]=4 323 B6R0.6 OCCOCCI C77657 [1,1,0,0,0,0|2,0,0]=4 324 B6R0.6 [2H]OCCCCC D99155 [1,1,0,0,0,0|1,0,0]=3 325 B6R0.8 CCC(C)(Br)CC F20158 [1,1,0,0,0,0|1,0,0]=3 326 B6R0.8 CC[C@](C)(N)CO D75057 [1,1,0,0,0,0|2,0,0]=4 327 B6R0.8 CC[C@](C)(O)CO D78587 [1,1,0,0,0,0|1,0,0]=3 328 B6R0.8 C[C@](O)(CN)CO AT10630 [1,1,0,0,0,0|2,0,0]=4 329 B6R0.8 [2H]C([2H])(CC)CBr D98198 [1,1,0,0,0,0|2,0,0]=4 330 B6R0.9 CCC(OC)OC D87756 [1,1,0,0,0,0|1,0,0]=3 331 B8R0.5 CCCC(=O)CC(C)C T72726 [0,2,0,0,0,0|0,0,2]=4 332 B8R0.5 CCC[C@H](C)OC(C)=O 73904 [0,2,0,0,0,0|1,0,1]=4 333 B8R0.5 CCC[C@H](N)CC(=O)O N15479 [0,2,0,0,0,0|1,0,1]=4 334 B8R0.5 CCC[C@H](N)CC(=O)O N15480 [0,2,0,0,0,0|1,0,1]=4 335 B8R0.5 CCOC(=O)C[C@H](C)N H11544 [0,2,0,0,0,0|0,0,2]=4 336 B8R0.16 CCN(CC)C[C@H](C)N C78413 [0,2,0,0,0,0|2,0,0]=4 337 B8R0.16 CCN(CC)C[C@H](C)N C78475 [0,2,0,0,0,0|2,0,0]=4 338 B8R0.19 CCC(C)CC(N)CO AT16871 [0,2,0,0,0,0|1,0,0]=3 339 B8R0.19 CC[C@H](N)CC(=O)OC F16995 [0,2,0,0,0,0|1,0,1]=4 340 B8R0.19 CC[C@H](O)CC(=O)OC C15994 [0,2,0,0,0,0|0,0,1]=3 341 B8R0.19 O[C@H](CCl)C[C@H](O)CCl F18468 [0,2,0,0,0,0|1,0,0]=3 342 B8R0.23 CC(C)CC(=O)C(C)C T70480 [0,2,0,0,0,0|0,0,2]=4 343 B8R0.23 CC(C)[C@@H](N)CN(C)C C78255 [0,2,0,0,0,0|2,0,0]=4 344 B8R0.23 CC(C)[C@@H](N)CN(C)C C78460 [0,2,0,0,0,0|2,0,0]=4 345 B8R0.23 CC(C)[C@@H](N)CN(C)C C78501 [0,2,0,0,0,0|2,0,0]=4 346 B8R0.23 CC(C)[C@@H](O)C[N+](=O)[O-] V10283 [0,2,0,0,0,0|2,0,0]=4 347 B8R0.24 CC[C@H](C)CC(C)(C)C T71897 [0,2,0,0,0,0|1,0,0]=3 348 B8R0.34 CC(C)C[C@](C)(N)CO AT19787 [0,2,0,0,0,0|2,0,0]=4 349 B8R0.34 CC(C)C[C@](C)(N)CO C90641 [0,2,0,0,0,0|2,0,0]=4 350 B8R0.1 CCCC[C@H](N)CCO D73273 [0,2,0,0,0,0|1,0,0]=3 351 B8R0.3 CCCC(C)C(C)CC T71461 [0,2,0,0,0,0|1,0,0]=3 352 B8R0.3 CCCC(C)C(N)CO AT16873 [0,2,0,0,0,0|1,0,0]=3 353 B8R0.3 CCC[C@H](N)C(=O)OC F20626 [0,2,0,0,0,0|1,0,1]=4 354 B8R0.3 COC[C@H](O)C(=O)OC AT24811 [0,2,0,0,0,0|1,0,1]=4 355 B8R0.6 C#CCOC[C@@H](O)CO C14643 [0,2,0,0,0,0|1,0,1]=4 356 B8R0.6 C#C[C@@H](O)CCCCC 51060 [0,2,0,0,0,0|0,0,2]=4 357 B8R0.6 C#C[C@@H](O)CCCCC T72294 [0,2,0,0,0,0|0,0,2]=4 358 B8R0.6 CC[C@H](C)CCCCO T72651 [0,2,0,0,0,0|1,0,0]=3 359 B8R0.6 N#C[C@@H](O)CCCCO AC4705 [0,2,0,0,0,0|1,0,1]=4 360 B8R0.8 CCCCC(=O)[C@H](C)N D78735 [0,2,0,0,0,0|0,0,2]=4 361 B8R0.8 CCCC[C@H](C)C(C)C T70746 [0,2,0,0,0,0|1,0,0]=3 362 B8R0.9 CC(=O)OC[C@@H](O)CO A10893 [0,2,0,0,0,0|1,0,1]=4 363 B8R0.9 CC(C)CC[C@H](N)CO AT16865 [0,2,0,0,0,0|2,0,0]=4 364 B8R0.9 CCC(C)CCC(C)N C14677 [0,2,0,0,0,0|1,0,0]=3 365 B8R0.11 CCN(CC)CCCCl O10993 [0,2,0,0,0,0|2,0,0]=4 366 B8R0.25 CCCC[C@](C)(N)CO AT11270 [0,2,0,0,0,0|2,0,0]=4 367 B8R0.25 CC[N+](C)(C)CCOC T71656 [0,2,0,0,0,0|2,0,0]=4 368 B8R0.14 CC(C)(C)[C@@H](N)CCO F53862 [0,2,0,0,0,0|2,0,0]=4 369 B8R0.14 CC(C)(C)[C@@H](O)CON AT14525 [0,2,0,0,0,0|2,0,0]=4 370 B8R0.15 CCC[C@H](NC)C(=O)O AT16735 [0,2,0,0,0,0|1,0,0]=3 371 B8R0.15 CCC[C@H](NC)C(=O)O C15224 [0,2,0,0,0,0|1,0,0]=3 372 B8R0.15 CCC[C@H](OC)C(=O)O AC8429 [0,2,0,0,0,0|1,0,0]=3 373 B8R0.15 CCO[C@@H](CC)C(=O)O AC6373 [0,2,0,0,0,0|1,0,0]=3 374 B8R0.15 CN[C@@H](COC)C(=O)O AT12797 [0,2,0,0,0,0|2,0,0]=4 375 B8R0.22 CCC[C@H](CC)CNN AC5378 [0,2,0,0,0,0|1,0,0]=3 376 B8R0.22 COC(CSC)CSC T70761 [0,2,0,0,0,0|1,0,0]=3 377 B8R0.30 CC(C)(CCO)CCO AT18917 [0,2,0,0,0,0|2,0,0]=4 378 B8R0.30 OCCC(F)(F)CCO AT19977 [0,2,0,0,0,0|2,0,0]=4 379 B8R0.20 COC(CO)C(Br)CO C12286 [0,2,0,0,0,0|2,0,0]=4 380 B8R0.31 CCC[N+](C)(CC)CC T70163 [0,2,0,0,0,0|2,0,0]=4 381 B6R1.2 C[C@H]1CCNC1 71655 [1,0,0,1,0,0|2,0,0]=4 382 B6R1.2 FC1CCCC1 T71800 [1,0,0,1,0,0|1,0,0]=3 383 B6R1.2 F[C@H]1CCNC1 FD10498 [1,0,0,1,0,0|2,0,0]=4 384 B6R1.2 O[C@H]1CNOC1 AT14847 [1,0,0,1,0,0|2,0,0]=4 385 B6R1.5 CC1CC(C)N1 P20516 [1,0,0,1,0,0|1,0,0]=3 386 B6R1.5 C[C@H]1C[C@@H](C)N1 D79633 [1,0,0,1,0,0|1,0,0]=3 387 B6R1.5 NC1CC(Cl)C1 AT13059 [1,0,0,1,0,0|2,0,0]=4 388 B6R1.5 NC1CC(F)C1 P12018 [1,0,0,1,0,0|2,0,0]=4 389 B6R1.5 N[C@H]1C[C@@H](Br)C1 AT13083 [1,0,0,1,0,0|2,0,0]=4 390 B6R1.5 N[C@H]1C[C@@H](O)C1 29968 [1,0,0,1,0,0|1,0,0]=3 391 B6R1.5 O[C@H]1C[C@H](Br)C1 AT12400 [1,0,0,1,0,0|1,0,0]=3 392 B6R1.8 CC1CC1CBr P20770 [1,0,0,1,0,0|2,0,0]=4 393 B6R1.8 CC[C@H]1C[C@@H]1N AT11453 [1,0,0,1,0,0|1,0,0]=3 394 B6R1.8 CC[C@H]1C[C@@H]1N AT11457 [1,0,0,1,0,0|1,0,0]=3 395 B6R1.8 C[C@@H]1C[C@@H]1CBr 55223 [1,0,0,1,0,0|2,0,0]=4 396 B6R1.9 CC1(C)C[C@@H]1N AT11452 [1,0,0,1,0,0|2,0,0]=4 397 B6R1.10 CC1(F)CNC1 D79173 [1,0,0,1,0,0|2,0,0]=4 398 B6R1.1 C1CCNCC1 S11730 [1,0,0,1,0,0|1,0,0]=3 399 B6R1.1 C1CCONC1 P10408 [1,0,0,1,0,0|2,0,0]=4 400 B6R1.1 C1CNCOC1 C72764 [1,0,0,1,0,0|2,0,0]=4 401 B6R1.4 CC1CCC1N W15200 [1,0,0,1,0,0|1,0,0]=3 402 B6R1.4 CC1NCC1O P13360 [1,0,0,1,0,0|2,0,0]=4 403 B6R1.4 CC1OCC1N P20429 [1,0,0,1,0,0|2,0,0]=4 404 B6R1.4 C[C@H]1NC[C@@H]1O AT24512 [1,0,0,1,0,0|2,0,0]=4 405 B6R1.4 N[C@H]1CC[C@@H]1O AT10977 [1,0,0,1,0,0|2,0,0]=4 406 B6R1.6 CNC1COC1 F51705 [1,0,0,1,0,0|2,0,0]=4 407 B6R1.6 ClC[C@H]1CCO1 32069 [1,0,0,1,0,0|2,0,0]=4 408 B6R1.6 NOC1CCC1 97653 [1,0,0,1,0,0|2,0,0]=4 409 B6R1.7 NCC1(N)CC1 91266 [1,0,0,1,0,0|2,0,0]=4 410 B8R1.1 CC1CC(CO)CN1 W10508 [0,1,0,1,0,0|1,0,0]=3 411 B8R1.1 CCN1CC[C@H](N)C1 P11185 [0,1,0,1,0,0|1,0,0]=3 412 B8R1.1 CCN1CC[C@H](N)C1 P12169 [0,1,0,1,0,0|1,0,0]=3 413 B8R1.1 CCN1CC[C@H](N)C1 P12170 [0,1,0,1,0,0|1,0,0]=3 414 B8R1.1 CC[C@H]1CCC(=O)C1 W18649 [0,1,0,1,0,0|0,0,2]=4 415 B8R1.1 CC[C@H]1CCC(=O)N1 D72846 [0,1,0,1,0,0|0,0,2]=4 416 B8R1.1 CN1CC[C@H](CCl)C1 AC6371 [0,1,0,1,0,0|2,0,0]=4 417 B8R1.1 CN1CC[C@H](ON)C1 97658 [0,1,0,1,0,0|1,0,0]=3 418 B8R1.1 N#CC1CCC(N)C1 P18295 [0,1,0,1,0,0|1,0,1]=4 419 B8R1.1 N#C[C@@H]1CC[C@H](N)C1 AT11526 [0,1,0,1,0,0|1,0,1]=4 420 B8R1.1 NCC1CCC(F)C1 D72883 [0,1,0,1,0,0|1,0,0]=3 421 B8R1.1 N[C@@H]1CN[C@@H](CO)C1 91823 [0,1,0,1,0,0|2,0,0]=4 422 B8R1.1 N[C@@H]1CN[C@H](CO)C1 91824 [0,1,0,1,0,0|2,0,0]=4 423 B8R1.1 O=C1CC[C@H](CBr)O1 C12574 [0,1,0,1,0,0|1,0,1]=4 424 B8R1.1 O=C1CC[C@H](CO)C1 D97067 [0,1,0,1,0,0|0,0,2]=4 425 B8R1.1 OCC1CCC(F)C1 AT22250 [0,1,0,1,0,0|1,0,0]=3 426 B8R1.1 OC[C@H]1C[C@H](O)CN1 F13011 [0,1,0,1,0,0|1,0,0]=3 427 B8R1.4 CC1CCNC(C)C1 D87679 [0,1,0,1,0,0|1,0,0]=3 428 B8R1.4 CC1CNCC(C)S1 AT10825 [0,1,0,1,0,0|2,0,0]=4 429 B8R1.4 CC1CNC[C@H](C)O1 F18928 [0,1,0,1,0,0|2,0,0]=4 430 B8R1.4 CC1COC[C@H](C)N1 F18864 [0,1,0,1,0,0|2,0,0]=4 431 B8R1.4 CC1COC[C@H](C)N1 F18890 [0,1,0,1,0,0|2,0,0]=4 432 B8R1.4 CC1COC[C@H](C)N1 F18927 [0,1,0,1,0,0|2,0,0]=4 433 B8R1.4 CC1COC[C@H](C)N1 F18931 [0,1,0,1,0,0|2,0,0]=4 434 B8R1.4 CC1CSCC(C)N1 AT10826 [0,1,0,1,0,0|2,0,0]=4 435 B8R1.4 CN1CCCC(=O)C1 C14007 [0,1,0,1,0,0|0,0,2]=4 436 B8R1.4 CN1CCC[C@H](N)C1 F13063 [0,1,0,1,0,0|1,0,0]=3 437 B8R1.4 CN1CCC[C@H](O)C1 AC6069 [0,1,0,1,0,0|0,0,0]=2 438 B8R1.4 C[C@@H]1C[C@@H](N)CCO1 D79034 [0,1,0,1,0,0|1,0,0]=3 439 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [0,1,0,1,0,0|0,0,2]=4 440 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [0,1,0,1,0,0|0,0,2]=4 441 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [0,1,0,1,0,0|0,0,2]=4 442 B8R1.4 C[C@H]1CCC[C@H](C)N1 P21143 [0,1,0,1,0,0|1,0,0]=3 443 B8R1.4 C[C@H]1CN(C)CCN1 C14012 [0,1,0,1,0,0|2,0,0]=4 444 B8R1.4 C[C@H]1CN(C)CCN1 F12388 [0,1,0,1,0,0|2,0,0]=4 445 B8R1.4 C[C@H]1CN(C)CCN1 P11099 [0,1,0,1,0,0|2,0,0]=4 446 B8R1.4 C[C@H]1CN(C)CCN1 S10064 [0,1,0,1,0,0|2,0,0]=4 447 B8R1.4 C[C@H]1CNC[C@@H](C)O1 F18871 [0,1,0,1,0,0|2,0,0]=4 448 B8R1.4 C[C@H]1CNC[C@@H](O)C1 AT13824 [0,1,0,1,0,0|0,0,0]=2 449 B8R1.4 C[C@H]1CNC[C@H](C)N1 38269 [0,1,0,1,0,0|2,0,0]=4 450 B8R1.4 C[C@H]1CNC[C@H](C)N1 P18598 [0,1,0,1,0,0|2,0,0]=4 451 B8R1.4 C[C@H]1CNC[C@H](C)O1 F18885 [0,1,0,1,0,0|2,0,0]=4 452 B8R1.4 C[C@H]1COC[C@@H](C)N1 70215 [0,1,0,1,0,0|2,0,0]=4 453 B8R1.4 C[C@H]1COC[C@@H](C)N1 S12171 [0,1,0,1,0,0|2,0,0]=4 454 B8R1.4 C[C@H]1C[C@@H](O)CCN1 P12569 [0,1,0,1,0,0|0,0,0]=2 455 B8R1.4 NC1COCC(O)C1 W16026 [0,1,0,1,0,0|1,0,0]=3 456 B8R1.4 N[C@H]1CCC[C@H](O)C1 F11499 [0,1,0,1,0,0|0,0,0]=2 457 B8R1.4 N[C@H]1CCC[C@H](O)C1 P19975 [0,1,0,1,0,0|0,0,0]=2 458 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [0,1,0,1,0,0|0,0,1]=3 459 B8R1.4 O[C@@H]1CNC[C@@H](O)C1 AT24349 [0,1,0,1,0,0|1,0,0]=3 460 B8R1.18 CC1CC(=O)OC1C AC8330 [0,1,0,1,0,0|0,0,2]=4 461 B8R1.18 CC1CC(=O)OC1O S10278 [0,1,0,1,0,0|1,0,1]=4 462 B8R1.18 CC1NC(=O)CC1O 94943 [0,1,0,1,0,0|1,0,1]=4 463 B8R1.18 N[C@H]1C[C@H](O)[C@H](O)C1 F50033 [0,1,0,1,0,0|1,0,0]=3 464 B8R1.34 CC(C)CC1CNC1 E71784 [0,1,0,1,0,0|2,0,0]=4 465 B8R1.34 CC(C)NC1CCC1 AT13081 [0,1,0,1,0,0|2,0,0]=4 466 B8R1.34 C[C@H](N)CC1CCC1 55436 [0,1,0,1,0,0|1,0,0]=3 467 B8R1.40 N[C@H](CO)CC1CC1 D75110 [0,1,0,1,0,0|2,0,0]=4 468 B8R1.40 N[C@H](CO)CC1CC1 D75111 [0,1,0,1,0,0|2,0,0]=4 469 B8R1.40 N[C@H](CO)CC1CC1 N13000 [0,1,0,1,0,0|2,0,0]=4 470 B8R1.53 CC1(C)CC(CN)C1 P12136 [0,1,0,1,0,0|2,0,0]=4 471 B8R1.53 CC1(C)CC(CN)C1 P14089 [0,1,0,1,0,0|2,0,0]=4 472 B8R1.53 C[C@]1(O)C[C@H](CN)C1 38871 [0,1,0,1,0,0|2,0,0]=4 473 B8R1.62 CN1CC(O)(CN)C1 P21104 [0,1,0,1,0,0|2,0,0]=4 474 B8R1.62 NC1(CO)CC(F)C1 P13312 [0,1,0,1,0,0|2,0,0]=4 475 B8R1.62 NCC1(O)CC(F)C1 D79653 [0,1,0,1,0,0|1,0,0]=3 476 B8R1.2 BrCC1CCNCC1 30601 [0,1,0,1,0,0|2,0,0]=4 477 B8R1.2 CC[C@H]1CCCCN1 N11156 [0,1,0,1,0,0|1,0,0]=3 478 B8R1.2 CC[C@H]1CNCCO1 D75750 [0,1,0,1,0,0|0,0,0]=2 479 B8R1.2 CC[C@H]1COCCN1 F19074 [0,1,0,1,0,0|1,0,0]=3 480 B8R1.2 CNC1CCCCC1 S12279 [0,1,0,1,0,0|1,0,0]=3 481 B8R1.2 CNC1CCNCC1 63132 [0,1,0,1,0,0|2,0,0]=4 482 B8R1.2 CNC1CCSCC1 AT10410 [0,1,0,1,0,0|2,0,0]=4 483 B8R1.2 CO[C@@H]1C=CCCC1 D91600 [0,1,0,1,0,0|0,0,2]=4 484 B8R1.2 CSC1CCNCC1 32247 [0,1,0,1,0,0|1,1,0]=4 485 B8R1.2 CSC1CCNCC1 P10626 [0,1,0,1,0,0|1,1,0]=4 486 B8R1.2 ClC[C@H]1CNCCO1 F13328 [0,1,0,1,0,0|1,0,0]=3 487 B8R1.2 ICC1CCNCC1 AC3914 [0,1,0,1,0,0|2,0,0]=4 488 B8R1.2 N#C[C@@H]1CNCCO1 F18992 [0,1,0,1,0,0|1,0,1]=4 489 B8R1.2 N#C[C@@H]1CNCCO1 F19038 [0,1,0,1,0,0|1,0,1]=4 490 B8R1.2 N#C[C@H]1CCCOC1 94853 [0,1,0,1,0,0|1,0,1]=4 491 B8R1.2 NC[C@H]1CCC=CO1 P10036 [0,1,0,1,0,0|1,0,1]=4 492 B8R1.2 NN[C@H]1CCCOC1 C93323 [0,1,0,1,0,0|2,0,0]=4 493 B8R1.2 NOC1CCOCC1 97662 [0,1,0,1,0,0|1,0,0]=3 494 B8R1.2 NO[C@H]1CCCOC1 97661 [0,1,0,1,0,0|1,0,0]=3 495 B8R1.2 O=CC1CCNCC1 62056 [0,1,0,1,0,0|1,0,1]=4 496 B8R1.2 OCC1=CCCCO1 S11090 [0,1,0,1,0,0|1,0,1]=4 497 B8R1.2 OC[C@H]1CNCCN1 I11797 [0,1,0,1,0,0|2,0,0]=4 498 B8R1.2 OC[C@H]1COCCO1 D82528 [0,1,0,1,0,0|1,0,0]=3 499 B8R1.2 SCC1CCOCC1 P16932 [0,1,0,1,0,0|1,1,0]=4 500 B8R1.3 CC1CCN(N)CC1 F13743 [0,1,0,1,0,0|2,0,0]=4 501 B8R1.3 CC1CNC(C)CN1 AC2834 [0,1,0,1,0,0|2,0,0]=4 502 B8R1.3 CC1CNC(C)CN1 AT23784 [0,1,0,1,0,0|2,0,0]=4 503 B8R1.3 CC1COC(C)CN1 F12415 [0,1,0,1,0,0|2,0,0]=4 504 B8R1.3 CN1CCC(Br)CC1 AC6332 [0,1,0,1,0,0|1,0,0]=3 505 B8R1.3 CN1CCC(I)CC1 D97152 [0,1,0,1,0,0|1,0,0]=3 506 B8R1.3 CN1CCC(S)CC1 AT13364 [0,1,0,1,0,0|0,1,0]=3 507 B8R1.3 C[C@H]1CC[C@@H](N)CC1 N13044 [0,1,0,1,0,0|1,0,0]=3 508 B8R1.3 C[C@H]1CC[C@H](C)NC1 29624 [0,1,0,1,0,0|1,0,0]=3 509 B8R1.3 C[C@H]1CN[C@H](C)CO1 S11084 [0,1,0,1,0,0|2,0,0]=4 510 B8R1.3 O=C1CCC(Br)CC1 C77503 [0,1,0,1,0,0|0,0,2]=4 511 B8R1.3 OC1CCC(Br)CC1 P19527 [0,1,0,1,0,0|0,0,0]=2 512 B8R1.5 CC1CCNCC1O 38881 [0,1,0,1,0,0|0,0,0]=2 513 B8R1.5 CC1COCCC1N F13602 [0,1,0,1,0,0|1,0,0]=3 514 B8R1.5 CC1NCCCC1O W19147 [0,1,0,1,0,0|0,0,0]=2 515 B8R1.5 CC1NCCSC1C AT25273 [0,1,0,1,0,0|2,0,0]=4 516 B8R1.5 C[C@@H]1CCNC[C@@H]1O 38884 [0,1,0,1,0,0|0,0,0]=2 517 B8R1.5 C[C@@H]1CNCC[C@@H]1O A11539 [0,1,0,1,0,0|0,0,0]=2 518 B8R1.5 C[C@@H]1NCCN[C@H]1C AT24345 [0,1,0,1,0,0|2,0,0]=4 519 B8R1.5 C[C@H]1CCNCC1=O P13522 [0,1,0,1,0,0|0,0,2]=4 520 B8R1.5 C[C@H]1CCNC[C@@H]1O P12384 [0,1,0,1,0,0|0,0,0]=2 521 B8R1.5 C[C@H]1CCNC[C@@H]1O W19323 [0,1,0,1,0,0|0,0,0]=2 522 B8R1.5 C[C@H]1CCOCC1=O F53480 [0,1,0,1,0,0|0,0,2]=4 523 B8R1.5 NC1CCCCC1O F13372 [0,1,0,1,0,0|0,0,0]=2 524 B8R1.5 NC1CCOCC1O AT20154 [0,1,0,1,0,0|1,0,0]=3 525 B8R1.5 N[C@@H]1CCCC[C@@H]1F AT23366 [0,1,0,1,0,0|1,0,0]=3 526 B8R1.5 N[C@@H]1CCCC[C@@H]1O F53834 [0,1,0,1,0,0|0,0,0]=2 527 B8R1.5 N[C@H]1CCNC[C@@H]1O D76889 [0,1,0,1,0,0|1,0,0]=3 528 B8R1.5 N[C@H]1CCOC[C@@H]1O AT20174 [0,1,0,1,0,0|1,0,0]=3 529 B8R1.5 N[C@H]1CCOC[C@@H]1O P19349 [0,1,0,1,0,0|1,0,0]=3 530 B8R1.5 O[C@H]1CNCC[C@H]1O 37852 [0,1,0,1,0,0|1,0,0]=3 531 B8R1.10 CNCCC1CCC1 P12905 [0,1,0,1,0,0|1,0,0]=3 532 B8R1.10 CNCC[C@H]1CCN1 F50261 [0,1,0,1,0,0|1,0,0]=3 533 B8R1.10 COCC[C@H]1CCN1 F50258 [0,1,0,1,0,0|1,0,0]=3 534 B8R1.10 COCC[C@H]1CCN1 F50334 [0,1,0,1,0,0|1,0,0]=3 535 B8R1.22 C[C@H]1CCCCCN1 AT22104 [0,1,0,1,0,0|1,0,0]=3 536 B8R1.22 C[C@H]1CCNCCN1 AT20047 [0,1,0,1,0,0|2,0,0]=4 537 B8R1.22 C[C@H]1CCNCCN1 AT20048 [0,1,0,1,0,0|2,0,0]=4 538 B8R1.22 C[C@H]1CCNCCN1 AT20119 [0,1,0,1,0,0|2,0,0]=4 539 B8R1.22 C[C@H]1CNCCCN1 70846 [0,1,0,1,0,0|2,0,0]=4 540 B8R1.22 C[C@H]1CNCCCN1 AT20050 [0,1,0,1,0,0|2,0,0]=4 541 B8R1.22 C[C@H]1COCCCN1 AT11435 [0,1,0,1,0,0|2,0,0]=4 542 B8R1.22 FC1CNCCNC1 90916 [0,1,0,1,0,0|2,0,0]=4 543 B8R1.22 F[C@H]1CCCNCC1 72531 [0,1,0,1,0,0|1,0,0]=3 544 B8R1.22 I[C@H]1CCCOCC1 55131 [0,1,0,1,0,0|1,0,0]=3 545 B8R1.22 N[C@H]1CCCCNC1 F13105 [0,1,0,1,0,0|1,0,0]=3 546 B8R1.22 O[C@H]1CCCCNC1 73004 [0,1,0,1,0,0|0,0,0]=2 547 B8R1.22 O[C@H]1CCCOCC1 55130 [0,1,0,1,0,0|0,0,0]=2 548 B8R1.22 O[C@H]1CNCCOC1 F13213 [0,1,0,1,0,0|1,0,0]=3 549 B8R1.38 CCC(=O)C1CCC1 F53463 [0,1,0,1,0,0|0,0,2]=4 550 B8R1.38 NC[C@H](O)C1CCC1 AT11473 [0,1,0,1,0,0|1,0,0]=3 551 B8R1.38 N[C@@H](CO)C1CCC1 N11362 [0,1,0,1,0,0|2,0,0]=4 552 B8R1.41 CCCCC1(O)CC1 AT11369 [0,1,0,1,0,0|0,0,0]=2 553 B8R1.47 COC1CC(CN)C1 P12915 [0,1,0,1,0,0|2,0,0]=4 554 B8R1.50 CC1C(=O)NCC1O 94942 [0,1,0,1,0,0|1,0,1]=4 555 B8R1.50 CC1CCC(C)C1=O F12414 [0,1,0,1,0,0|0,0,2]=4 556 B8R1.50 CN1CC[C@H](O)C1=O AT18763 [0,1,0,1,0,0|1,0,1]=4 557 B8R1.50 N[C@@H]1CC[C@@H](O)[C@H]1O AT10559 [0,1,0,1,0,0|1,0,0]=3 558 B8R1.52 CC1(CN)OCCO1 C77580 [0,1,0,1,0,0|2,0,0]=4 559 B8R1.52 C[C@]1(CN)CCCO1 38865 [0,1,0,1,0,0|1,0,0]=3 560 B8R1.52 C[C@]1(CO)CCCN1 AT21799 [0,1,0,1,0,0|2,0,0]=4 561 B8R1.52 N#C[C@]1(O)CCOC1 F53621 [0,1,0,1,0,0|1,0,1]=4 562 B8R1.52 NCC1(F)CCCC1 85744 [0,1,0,1,0,0|2,0,0]=4 563 B8R1.52 NC[C@]1(O)CCOC1 W16059 [0,1,0,1,0,0|1,0,0]=3 564 B8R1.52 N[C@@]1(CO)CCNC1 AC5273 [0,1,0,1,0,0|2,0,0]=4 565 B8R1.52 N[C@@]1(CO)CCOC1 91976 [0,1,0,1,0,0|2,0,0]=4 566 B8R1.52 N[C@@]1(CO)CCSC1 AT23900 [0,1,0,1,0,0|2,0,0]=4 567 B8R1.52 OCC1(F)CCCC1 85748 [0,1,0,1,0,0|2,0,0]=4 568 B8R1.52 OC[C@]1(F)CCNC1 94889 [0,1,0,1,0,0|2,0,0]=4 569 B8R1.52 OC[C@]1(F)CCNC1 94890 [0,1,0,1,0,0|2,0,0]=4 570 B8R1.52 OC[C@]1(O)CCNC1 P13142 [0,1,0,1,0,0|1,0,0]=3 571 B8R1.58 CC1(C#N)CCC1O 98578 [0,1,0,1,0,0|1,0,1]=4 572 B8R1.7 CC(=O)[C@@H]1CCCN1 F13089 [0,1,0,1,0,0|1,0,1]=4 573 B8R1.7 CC(=O)[C@@H]1CCCO1 74204 [0,1,0,1,0,0|0,0,1]=3 574 B8R1.7 CC(C)C1CCCC1 T72412 [0,1,0,1,0,0|1,0,0]=3 575 B8R1.7 CC(C)[C@@H]1CCCN1 P10941 [0,1,0,1,0,0|1,0,0]=3 576 B8R1.7 CC(C)[C@@H]1CCCN1 P12433 [0,1,0,1,0,0|1,0,0]=3 577 B8R1.7 CC(N)C1CCCO1 D75138 [0,1,0,1,0,0|0,0,0]=2 578 B8R1.7 CC(O)C1CCNC1 72765 [0,1,0,1,0,0|2,0,0]=4 579 B8R1.7 CC(O)C1CCNC1 W10547 [0,1,0,1,0,0|2,0,0]=4 580 B8R1.7 CC(O)[C@@H]1CCCN1 AT26535 [0,1,0,1,0,0|1,0,0]=3 581 B8R1.7 C[C@H](N)C1CCCC1 79900 [0,1,0,1,0,0|1,0,0]=3 582 B8R1.7 C[C@H](N)C1CCCC1 79901 [0,1,0,1,0,0|1,0,0]=3 583 B8R1.7 C[C@H](N)C1CCCO1 79855 [0,1,0,1,0,0|0,0,0]=2 584 B8R1.7 C[C@H](N)C1CCCO1 79856 [0,1,0,1,0,0|0,0,0]=2 585 B8R1.7 C[C@H](N)C1CCCO1 79857 [0,1,0,1,0,0|0,0,0]=2 586 B8R1.7 C[C@H](N)C1CCCO1 79858 [0,1,0,1,0,0|0,0,0]=2 587 B8R1.7 C[C@H](N)C1CCOC1 79845 [0,1,0,1,0,0|2,0,0]=4 588 B8R1.7 C[C@H](N)C1CCOC1 79846 [0,1,0,1,0,0|2,0,0]=4 589 B8R1.7 C[C@H](N)C1CCOC1 79847 [0,1,0,1,0,0|2,0,0]=4 590 B8R1.7 C[C@H](N)C1CCOC1 79848 [0,1,0,1,0,0|2,0,0]=4 591 B8R1.7 FC(F)[C@@H]1CCCN1 P14661 [0,1,0,1,0,0|2,0,0]=4 592 B8R1.7 NC(=S)[C@@H]1CCCO1 W10328 [0,1,0,1,0,0|1,0,1]=4 593 B8R1.15 C[C@H]1[C@H](CN)C1(F)F AT12584 [0,1,0,1,0,0|2,0,0]=4 594 B8R1.19 CC1(C)CCC[C@@H]1N P20914 [0,1,0,1,0,0|1,0,0]=3 595 B8R1.19 CC1(C)CNC[C@@H]1O AT22517 [0,1,0,1,0,0|1,0,0]=3 596 B8R1.19 CC1(C)CNC[C@@H]1O W18256 [0,1,0,1,0,0|1,0,0]=3 597 B8R1.24 CC1(C)C(=O)C[C@@H]1O AT20132 [0,1,0,1,0,0|1,0,1]=4 598 B8R1.37 CN(CCN)C1CC1 AT25788 [0,1,0,1,0,0|2,0,0]=4 599 B8R1.37 COC[C@H](N)C1CC1 20488 [0,1,0,1,0,0|1,0,0]=3 600 B8R1.37 COC[C@H](N)C1CC1 70242 [0,1,0,1,0,0|1,0,0]=3 601 B8R1.78 CC(C)C1(N)CCC1 AT20136 [0,1,0,1,0,0|1,0,0]=3 602 B8R1.6 CCCN1CC(O)C1 P19017 [0,1,0,1,0,0|2,0,0]=4 603 B8R1.8 C=CC[C@H]1CCCN1 N15483 [0,1,0,1,0,0|1,0,1]=4 604 B8R1.8 CCCC1=NCCO1 T72500 [0,1,0,1,0,0|0,0,1]=3 605 B8R1.8 CCC[C@H]1CCCN1 N12832 [0,1,0,1,0,0|1,0,0]=3 606 B8R1.8 CCN[C@H]1CCNC1 T71595 [0,1,0,1,0,0|2,0,0]=4 607 B8R1.8 CCN[C@H]1CCNC1 T72393 [0,1,0,1,0,0|2,0,0]=4 608 B8R1.8 CCN[C@H]1CCOC1 P12313 [0,1,0,1,0,0|1,0,0]=3 609 B8R1.8 CNCC1CCCC1 A11546 [0,1,0,1,0,0|1,0,0]=3 610 B8R1.8 COC[C@H]1CCCN1 C77885 [0,1,0,1,0,0|1,0,0]=3 611 B8R1.8 N#CC[C@H]1CCCO1 35201 [0,1,0,1,0,0|0,0,1]=3 612 B8R1.8 NCCC1CCCC1 23497 [0,1,0,1,0,0|1,0,0]=3 613 B8R1.8 NCC[C@H]1CCCO1 AT11471 [0,1,0,1,0,0|0,0,0]=2 614 B8R1.8 NNC[C@H]1CCOC1 P11793 [0,1,0,1,0,0|2,0,0]=4 615 B8R1.8 OCC[C@H]1CCCO1 56770 [0,1,0,1,0,0|0,0,0]=2 616 B8R1.8 OCC[C@H]1CCNC1 C16745 [0,1,0,1,0,0|2,0,0]=4 617 B8R1.8 OCC[C@H]1CCNC1 D84329 [0,1,0,1,0,0|2,0,0]=4 618 B8R1.11 C#C[C@H]1CCC[C@@H]1O AC6480 [0,1,0,1,0,0|0,0,1]=3 619 B8R1.11 CC1COCC1CCl 50130 [0,1,0,1,0,0|2,0,0]=4 620 B8R1.11 CC1COCC1CO 50120 [0,1,0,1,0,0|1,0,0]=3 621 B8R1.11 CC[C@H]1CCNC1=O AT18851 [0,1,0,1,0,0|0,0,2]=4 622 B8R1.11 CO[C@H]1CCCC1=O AT25997 [0,1,0,1,0,0|0,0,2]=4 623 B8R1.11 CO[C@H]1CCC[C@@H]1N AT13762 [0,1,0,1,0,0|1,0,0]=3 624 B8R1.11 CO[C@H]1CCC[C@@H]1O AT11485 [0,1,0,1,0,0|0,0,0]=2 625 B8R1.11 CO[C@H]1CCC[C@@H]1O AT11487 [0,1,0,1,0,0|0,0,0]=2 626 B8R1.11 CO[C@H]1CCC[C@@H]1O AT11488 [0,1,0,1,0,0|0,0,0]=2 627 B8R1.11 N#C[C@@H]1CCC[C@@H]1N P17847 [0,1,0,1,0,0|1,0,1]=4 628 B8R1.11 N#C[C@@H]1CCC[C@@H]1N P17962 [0,1,0,1,0,0|1,0,1]=4 629 B8R1.11 NC[C@@H]1COC[C@@H]1O P18479 [0,1,0,1,0,0|1,0,0]=3 630 B8R1.11 NC[C@H]1COC[C@@H]1O P18478 [0,1,0,1,0,0|1,0,0]=3 631 B8R1.11 N[C@H]1CCC[C@H]1CO AT21374 [0,1,0,1,0,0|1,0,0]=3 632 B8R1.11 OC[C@H]1CNC[C@@H]1O AT10999 [0,1,0,1,0,0|1,0,0]=3 633 B8R1.11 OC[C@H]1OCC[C@@H]1O E71898 [0,1,0,1,0,0|1,0,0]=3 634 B8R1.66 C=CCC1(O)COC1 69113 [0,1,0,1,0,0|0,0,2]=4 635 B8R1.66 CC1(CC=O)CCC1 P20317 [0,1,0,1,0,0|1,0,1]=4 636 B8R1.66 CC1(CCN)COC1 81713 [0,1,0,1,0,0|2,0,0]=4 637 B8R1.66 CC1(CCO)COC1 CS1851 [0,1,0,1,0,0|2,0,0]=4 638 B8R1.66 COCC1(O)COC1 AT25790 [0,1,0,1,0,0|1,0,0]=3 639 B8R1.66 NC1(CCO)CCC1 89656 [0,1,0,1,0,0|1,0,0]=3 640 B8R1.66 NCCC1(O)CCC1 AT11483 [0,1,0,1,0,0|0,0,0]=2 641 B8R1.12 C#CC1CCC1CO 58315 [0,1,0,1,0,0|0,0,2]=4 642 B8R1.12 CO[C@H]1CC[C@@H]1CO D79583 [0,1,0,1,0,0|1,0,0]=3 643 B8R1.28 C[C@](N)(CO)C1CC1 AT19783 [0,1,0,1,0,0|2,0,0]=4 644 B8R1.72 CC1(C)CCCCN1 AT24213 [0,1,0,1,0,0|2,0,0]=4 645 B8R1.72 CC1(C)CCCNC1 F30179 [0,1,0,1,0,0|2,0,0]=4 646 B8R1.72 CC1(N)CCCCC1 W10115 [0,1,0,1,0,0|1,0,0]=3 647 B8R1.72 CC1(N)CCNCC1 D75159 [0,1,0,1,0,0|2,0,0]=4 648 B8R1.72 FC1(F)CCCNC1 W16714 [0,1,0,1,0,0|2,0,0]=4 649 B8R1.72 N=S1(=O)CCCCC1 AT11345 [0,1,0,1,0,0|1,0,1]=4 650 B8R1.82 CCOC1(CO)CC1 92152 [0,1,0,1,0,0|1,0,0]=3 651 B8R1.82 CNC1(COC)CC1 AT23520 [0,1,0,1,0,0|2,0,0]=4 652 B8R1.82 CNCC1(CF)CC1 W10917 [0,1,0,1,0,0|2,0,0]=4 653 B8R1.82 CNCC1(CO)CC1 C78636 [0,1,0,1,0,0|1,0,0]=3 654 B8R1.82 COC1(CCN)CC1 P15165 [0,1,0,1,0,0|1,0,0]=3 655 B8R1.60 CCC1(CI)COC1 C90202 [0,1,0,1,0,0|2,0,0]=4 656 B8R1.60 COC1(CN)COC1 P18792 [0,1,0,1,0,0|2,0,0]=4 657 B8R1.60 CSC1(CO)CCC1 AT20160 [0,1,0,1,0,0|1,0,0]=3 658 B8R1.60 N#CC1(CO)CCC1 AT20270 [0,1,0,1,0,0|1,0,1]=4 659 B8R1.60 NCC1(CO)CCC1 C77767 [0,1,0,1,0,0|1,0,0]=3 660 B8R1.60 NCC1(CO)COC1 38615 [0,1,0,1,0,0|2,0,0]=4 661 B8R1.60 OCC1(CO)CNC1 AC6171 [0,1,0,1,0,0|2,0,0]=4 662 B8R2.34 C1CC2CCC1O2 T72216 [0,0,0,2,0,0|0,0,0]=2 663 B8R2.34 C1CN2CCC1C2 F15254 [0,0,0,2,0,0|2,0,0]=4 664 B8R2.34 C1NC2CNC1C2 F18865 [0,0,0,2,0,0|2,0,0]=4 665 B8R2.34 C1N[C@@H]2CN[C@H]1C2 F12544 [0,0,0,2,0,0|2,0,0]=4 666 B8R2.34 C1N[C@@H]2CN[C@H]1C2 F19020 [0,0,0,2,0,0|2,0,0]=4 667 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P12317 [0,0,0,2,0,0|1,0,0]=3 668 B8R2.55 C1CCC2(C1)CO2 AC8865 [0,0,0,2,0,0|2,0,0]=4 669 B8R2.55 C1CNC2(C1)CC2 80414 [0,0,0,2,0,0|1,0,0]=3 670 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97893 [0,0,0,2,0,0|0,0,2]=4 671 B8R2.38 O[C@H]1CC[C@@H]2C[C@H]12 D74723 [0,0,0,2,0,0|0,0,0]=2 672 B8R2.2 CC12CCCC1O2 AT16552 [0,0,0,2,0,0|0,0,0]=2 673 B8R2.2 C[C@]12CCCC1O2 F50046 [0,0,0,2,0,0|0,0,0]=2 674 B8R2.45 N[C@H]1CC12CCC2 90962 [0,0,0,2,0,0|2,0,0]=4 675 B8R2.1 C1C[C@@H](C2CC2)N1 98109 [0,0,0,2,0,0|1,0,0]=3 676 B8R2.42 C1CC2(CNC2)O1 P15312 [0,0,0,2,0,0|1,0,0]=3 677 B8R2.20 OC[C@H]1CC12CC2 D73422 [0,0,0,2,0,0|2,0,0]=4 678 B8R2.41 NC1(C2CC2)CC1 86361 [0,0,0,2,0,0|1,0,0]=3