0 B7R0.7 C=CCC(=O)OCC 74919 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.7 CC#CC(=O)OCC 33793 [0,0,0,0,0,0|0,0,2]=2 2 B7R0.7 CCCC(=O)OCCl F20378 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.7 CCNC(=O)CC#N S10551 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.7 CCNC(=O)NCC F11262 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.7 CCOC(=O)CCBr F11254 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.7 CCOC(=O)CCCl D89381 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.7 CCOC(=O)CCI 23721 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.7 CCOC(=O)CCN AC7506 [0,0,0,0,0,0|1,0,2]=3 9 B7R0.7 CCOC(=O)CCO 30936 [0,0,0,0,0,0|1,0,2]=3 10 B7R0.7 CCOC(=O)CCS D87716 [0,0,0,0,0,0|1,0,2]=3 11 B7R0.7 CCOC(=O)CNC 73271 [0,0,0,0,0,0|1,0,1]=2 12 B7R0.7 CCOC(=O)CNN 35068 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.7 CCOC(=O)COC F11239 [0,0,0,0,0,0|1,0,1]=2 14 B7R0.7 CCOC(=O)CSC I10203 [0,0,0,0,0,0|1,0,1]=2 15 B7R0.7 CCOC(=O)OCC D97668 [0,0,0,0,0,0|1,0,1]=2 16 B7R0.7 CCOC(=O)OCCl 23781 [0,0,0,0,0,0|2,0,1]=3 17 B7R0.7 CCOC(=O)\C=C/Br T70763 [0,0,0,0,0,0|1,0,0]=1 18 B7R0.7 CCOC(=O)\C=C/I D81841 [0,0,0,0,0,0|1,0,0]=1 19 B7R0.7 CCOC(=O)\C=C\I 72163 [0,0,0,0,0,0|1,0,0]=1 20 B7R0.7 CCOC(=O)\C=C\[O-] P20682 [0,0,0,0,0,0|1,0,0]=1 21 B7R0.7 CCOP(Cl)OCC H10781 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.7 CCO[PH](=O)OCC 28436 [0,0,0,0,0,0|2,0,1]=3 23 B7R0.7 CCO\C(C)=N\C#N C10080 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.7 CCO\C([O-])=C\C=O 95730 [0,0,0,0,0,0|1,0,1]=2 25 B7R0.7 [C-]#[N+]CC(=O)OCC 23174 [0,0,0,0,0,0|1,0,2]=3 26 B6R0.1 C#CC(=O)OCC 35931 [1,0,0,0,0,0|0,0,2]=3 27 B6R0.1 C=CC(=O)NCC AB9195 [1,0,0,0,0,0|1,0,0]=2 28 B6R0.1 C=CCC(=O)OC F15018 [1,0,0,0,0,0|0,0,2]=3 29 B6R0.1 C=COC(=O)CCl D95397 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.1 C=C[C@@H](O)CCC D90922 [1,0,0,0,0,0|1,0,2]=4 31 B6R0.1 CC#CC(=O)OC D73343 [1,0,0,0,0,0|0,0,2]=3 32 B6R0.1 CCC(=O)CC#N 28991 [1,0,0,0,0,0|1,0,2]=4 33 B6R0.1 CCCC(=O)CC D90801 [1,0,0,0,0,0|0,0,2]=3 34 B6R0.1 CCCC(=O)NN O11707 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.1 CCCC(=O)SC D91533 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.1 CCOC(=N)CC W15737 [1,0,0,0,0,0|1,0,1]=3 37 B6R0.1 CCOC(=O)CN C93496 [1,0,0,0,0,0|1,0,1]=3 38 B6R0.1 CCOC(=O)CO 39380 [1,0,0,0,0,0|1,0,1]=3 39 B6R0.1 CCOC(=O)CS F21271 [1,0,0,0,0,0|1,0,1]=3 40 B6R0.1 CCOC(=O)NC D91332 [1,0,0,0,0,0|1,0,0]=2 41 B6R0.1 CCOC(=O)NN D77690 [1,0,0,0,0,0|2,0,0]=3 42 B6R0.1 CCOC(=O)OC A11149 [1,0,0,0,0,0|1,0,0]=2 43 B6R0.1 CCO[C@@H](C)CC D88933 [1,0,0,0,0,0|1,0,2]=4 44 B6R0.1 CCO\C(C)=N\O 23036 [1,0,0,0,0,0|3,0,0]=4 45 B6R0.1 CCO\C(C)=N\O H10740 [1,0,0,0,0,0|3,0,0]=4 46 B6R0.1 CNCC(=O)NC 71568 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.1 CNCC(=O)OC 73733 [1,0,0,0,0,0|1,0,1]=3 48 B6R0.1 COC(=O)C#CBr O11909 [1,0,0,0,0,0|1,0,2]=4 49 B6R0.1 COC(=O)CC#N D77797 [1,0,0,0,0,0|1,0,2]=4 50 B6R0.1 COC(=O)CCBr AB7483 [1,0,0,0,0,0|1,0,2]=4 51 B6R0.1 COC(=O)CCCl D95821 [1,0,0,0,0,0|1,0,2]=4 52 B6R0.1 COC(=O)CCN S12362 [1,0,0,0,0,0|1,0,2]=4 53 B6R0.1 COC(=O)CCO 29940 [1,0,0,0,0,0|1,0,2]=4 54 B6R0.1 COC(=O)CCS D70327 [1,0,0,0,0,0|1,0,2]=4 55 B6R0.1 COC(=O)CSC D87959 [1,0,0,0,0,0|1,0,1]=3 56 B6R0.1 COC(=O)\C=C/I C75918 [1,0,0,0,0,0|1,0,0]=2 57 B6R0.1 CONC(=O)OC D81547 [1,0,0,0,0,0|2,0,0]=3 58 B6R0.1 C\C=C\C(=O)CC 74326 [1,0,0,0,0,0|0,0,0]=1 59 B6R0.1 [C-]#[N+]CC(=O)OC 29044 [1,0,0,0,0,0|1,0,2]=4 60 B6R0.6 CCCC=CC=O D78252 [1,0,0,0,0,0|2,0,0]=3 61 B6R0.6 CCC\C=C\CO D78301 [1,0,0,0,0,0|2,0,1]=4 62 B6R0.6 CCO\C=C\C#N H10695 [1,0,0,0,0,0|1,0,1]=3 63 B6R0.6 CC\C=C/CCO 73722 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.6 C\C=C\C=C\C=O D90909 [1,0,0,0,0,0|2,0,1]=4 65 B6R0.6 C\C=C\C=C\CO D77844 [1,0,0,0,0,0|2,0,0]=3 66 B8R0.1 C#CCCC(=O)OCC 90044 [0,1,0,0,0,0|0,0,3]=4 67 B8R0.1 C=CCCC(=O)OCC H10612 [0,1,0,0,0,0|0,0,2]=3 68 B8R0.1 CCC#CC(=O)OCC AB21618 [0,1,0,0,0,0|0,0,2]=3 69 B8R0.1 CCOC(=O)CCCBr F11167 [0,1,0,0,0,0|0,0,2]=3 70 B8R0.1 CCOC(=O)CCCI 74907 [0,1,0,0,0,0|0,0,2]=3 71 B8R0.1 CCOC(=O)CCCN 20516 [0,1,0,0,0,0|0,0,2]=3 72 B8R0.1 CCOC(=O)CCNC 30981 [0,1,0,0,0,0|0,0,2]=3 73 B8R0.1 CCOC(=O)CCOC D91424 [0,1,0,0,0,0|0,0,2]=3 74 B8R0.1 CCOC(=O)CCSC D90571 [0,1,0,0,0,0|0,0,2]=3 75 B8R0.1 CCOC(=O)CN=C=O AC9274 [0,1,0,0,0,0|1,0,2]=4 76 B8R0.1 CCOC(=O)CN=C=S D91182 [0,1,0,0,0,0|1,0,2]=4 77 B8R0.1 CCOC(=O)CNC=O FD21624 [0,1,0,0,0,0|1,0,1]=3 78 B8R0.1 CCOC(=O)NCCCl 61494 [0,1,0,0,0,0|1,0,1]=3 79 B8R0.1 CCOC(=O)\C=C\C=O 35745 [0,1,0,0,0,0|0,0,1]=2 80 B8R0.1 CCOC(=O)\C=C\CBr 12202 [0,1,0,0,0,0|0,0,0]=1 81 B8R0.1 CCOCC(=O)OCC D81905 [0,1,0,0,0,0|0,0,2]=3 82 B8R0.3 C=C(C#N)C(=O)OCC D87637 [0,1,0,0,0,0|1,0,1]=3 83 B8R0.3 C=C(CBr)C(=O)OCC 60939 [0,1,0,0,0,0|1,0,1]=3 84 B8R0.3 C=C(CO)C(=O)OCC 35200 [0,1,0,0,0,0|1,0,1]=3 85 B8R0.3 CCCC(=O)N(C)OC F19920 [0,1,0,0,0,0|3,0,0]=4 86 B8R0.3 CCOC(=O)C(=O)CBr 23027 [0,1,0,0,0,0|1,0,1]=3 87 B8R0.3 CCOC(=O)C(=O)CC RB3244 [0,1,0,0,0,0|0,0,1]=2 88 B8R0.3 CCOC(=O)C(=O)NC W11374 [0,1,0,0,0,0|1,0,0]=2 89 B8R0.3 CCOC(=O)C(=O)NN 24733 [0,1,0,0,0,0|2,0,0]=3 90 B8R0.3 CCOC(=O)[C@@H](Br)CBr AB2839 [0,1,0,0,0,0|1,0,2]=4 91 B8R0.3 CCOC(=O)[C@@H](Br)CC D70575 [0,1,0,0,0,0|0,0,2]=3 92 B8R0.3 CCOC(=O)[C@@H](C)C=O O11759 [0,1,0,0,0,0|1,0,1]=3 93 B8R0.3 CCOC(=O)[C@@H](Cl)C=O 52355 [0,1,0,0,0,0|1,0,1]=3 94 B8R0.3 CCOC(=O)[C@@H](N)CC 29271 [0,1,0,0,0,0|0,0,2]=3 95 B8R0.3 CCOC(=O)[C@@H](N)CC 90200 [0,1,0,0,0,0|0,0,2]=3 96 B8R0.3 CCOC(=O)[C@@H](N)CC D84487 [0,1,0,0,0,0|0,0,2]=3 97 B8R0.3 CCOC(=O)[C@@H](N)CO FD3048 [0,1,0,0,0,0|1,0,2]=4 98 B8R0.3 CCOC(=O)[C@@H](N)CO FD3050 [0,1,0,0,0,0|1,0,2]=4 99 B8R0.3 CCOC(=O)[C@@H](N)CO FD3052 [0,1,0,0,0,0|1,0,2]=4 100 B8R0.3 CCOC(=O)[C@@H](N)CS AT20237 [0,1,0,0,0,0|1,0,2]=4 101 B8R0.3 CCOC(=O)[C@@H](N)CS D70639 [0,1,0,0,0,0|1,0,2]=4 102 B8R0.3 CCOC(=O)[C@H](C)C#N 23129 [0,1,0,0,0,0|1,0,2]=4 103 B8R0.3 CCOC(=O)\C(Cl)=N/O 86149 [0,1,0,0,0,0|2,0,0]=3 104 B8R0.3 CCOC(=O)\C(Cl)=N\O CL4516 [0,1,0,0,0,0|2,0,0]=3 105 B8R0.3 CCOC(=O)\C(N)=N/O F52083 [0,1,0,0,0,0|2,0,0]=3 106 B8R0.3 C\C=C(/C)C(=O)OCC D94746 [0,1,0,0,0,0|0,0,0]=1 107 B8R0.5 CC(C)OC(=O)CC#N D97852 [0,1,0,0,0,0|1,0,2]=4 108 B8R0.5 CC(C)OC(=O)OCCl D77787 [0,1,0,0,0,0|2,0,1]=4 109 B8R0.5 CCOC(=O)C=C(C)C O11780 [0,1,0,0,0,0|0,0,0]=1 110 B8R0.5 CCOC(=O)CC(=N)N AR2171 [0,1,0,0,0,0|1,0,1]=3 111 B8R0.5 CCOC(=O)CC(=O)Cl S10339 [0,1,0,0,0,0|1,0,1]=3 112 B8R0.5 CCOC(=O)CC(=O)O F20358 [0,1,0,0,0,0|1,0,1]=3 113 B8R0.5 CCOC(=O)CC(=O)[O-] 28442 [0,1,0,0,0,0|1,0,1]=3 114 B8R0.5 CCOC(=O)CC(N)=O 33127 [0,1,0,0,0,0|1,0,1]=3 115 B8R0.5 CCOC(=O)CC(N)=S F20893 [0,1,0,0,0,0|1,0,1]=3 116 B8R0.5 CCOC(=O)CN(C)C D78232 [0,1,0,0,0,0|1,0,1]=3 117 B8R0.5 CCOC(=O)C[C@H](C)Br 29510 [0,1,0,0,0,0|0,0,2]=3 118 B8R0.5 CCOC(=O)C[C@H](C)N A11039 [0,1,0,0,0,0|0,0,2]=3 119 B8R0.5 CCOC(=O)C[C@H](C)N AC9275 [0,1,0,0,0,0|0,0,2]=3 120 B8R0.5 CCOC(=O)C[C@H](C)O D70263 [0,1,0,0,0,0|0,0,2]=3 121 B8R0.5 CCOC(=O)C[C@H](C)O F16431 [0,1,0,0,0,0|0,0,2]=3 122 B8R0.5 CCOC(=O)C[C@H](C)O SC1027 [0,1,0,0,0,0|0,0,2]=3 123 B8R0.5 CCOC(=O)C[N+](=O)[O-] 76581 [0,1,0,0,0,0|2,0,1]=4 124 B8R0.5 CCOC(=O)NC(C)=O W18296 [0,1,0,0,0,0|1,0,0]=2 125 B8R0.5 CCOC(=O)NC(N)=O FD10635 [0,1,0,0,0,0|2,0,0]=3 126 B8R0.5 CCOC(=O)O[C@H](C)Cl AC7896 [0,1,0,0,0,0|1,0,1]=3 127 B8R0.5 CCOC(=O)\C=C(\C)I AC5957 [0,1,0,0,0,0|0,0,0]=1 128 B8R0.5 CCOC(=O)\C=C(\C)N A11031 [0,1,0,0,0,0|0,0,0]=1 129 B8R0.5 CCOC(=O)\C=C(\C)N AB1419 [0,1,0,0,0,0|0,0,0]=1 130 B8R0.30 CCOP(=O)(O)OCC F15034 [0,1,0,0,0,0|2,0,1]=4 131 B8R0.30 CCOP(=O)([O-])OCC D90614 [0,1,0,0,0,0|2,0,1]=4 132 B8R0.30 CCOP(C)(=O)OCC D93192 [0,1,0,0,0,0|2,0,1]=4 133 B8R0.30 CCOP(N)(=O)OCC D90052 [0,1,0,0,0,0|2,0,1]=4 134 B8R1.4 CC1=CC(=O)CCC1 S10448 [0,0,0,1,0,0|1,0,0]=2 135 B8R1.4 CC1=CC(=O)NN=C1 24791 [0,0,0,1,0,0|2,0,1]=4 136 B8R1.4 CN1CCCC(=O)C1 25967 [0,0,0,1,0,0|2,0,1]=4 137 B8R1.4 CN1CCNC(=O)C1 23552 [0,0,0,1,0,0|2,0,1]=4 138 B8R1.4 CN1CCOC(=O)C1 70849 [0,0,0,1,0,0|1,0,1]=3 139 B8R1.4 C[C@H]1CCCC(=O)C1 33413 [0,0,0,1,0,0|1,0,2]=4 140 B8R1.4 C[C@H]1CCCC(=O)N1 P10077 [0,0,0,1,0,0|1,0,2]=4 141 B8R1.4 C[C@H]1CCCC(=O)O1 D90945 [0,0,0,1,0,0|0,0,2]=3 142 B8R1.4 C[C@H]1COCC(=O)N1 88852 [0,0,0,1,0,0|2,0,1]=4 143 B8R1.4 C[C@H]1COCC(=O)N1 88853 [0,0,0,1,0,0|2,0,1]=4 144 B8R1.4 NC1=CC(=O)CCC1 30084 [0,0,0,1,0,0|2,0,0]=3 145 B8R1.4 O=C1C=C(O)CCC1 D81514 [0,0,0,1,0,0|2,0,0]=3 146 B8R1.4 O=C1C=C(O)COC1 38542 [0,0,0,1,0,0|3,0,0]=4 147 B8R1.4 O=C1CCCC(=O)C1 70018 [0,0,0,1,0,0|2,0,1]=4 148 B8R1.4 O=C1CCCC(=O)N1 F11946 [0,0,0,1,0,0|3,0,0]=4 149 B8R1.4 O=C1CCNC(=O)C1 65248 [0,0,0,1,0,0|2,0,1]=4 150 B8R1.4 O=C1CCNC(=O)N1 F11823 [0,0,0,1,0,0|3,0,0]=4 151 B8R1.8 CCCC1=CC=CS1 F17557 [0,0,0,1,0,0|1,1,1]=4 152 B8R1.8 CCCC1=CSC=C1 T71823 [0,0,0,1,0,0|3,0,0]=4 153 B8R1.8 CCOC1=NC=CS1 D84242 [0,0,0,1,0,0|1,1,1]=4 154 B8R1.11 C=CN1CCCC1=O AT18510 [0,0,0,1,0,0|2,0,1]=4 155 B8R1.11 CCN1CCCC1=O A10865 [0,0,0,1,0,0|1,0,2]=4 156 B8R1.11 CCN1N=CC=C1N 61440 [0,0,0,1,0,0|3,0,0]=4 157 B8R1.11 CC[C@H]1CCCC1=O D83898 [0,0,0,1,0,0|1,0,2]=4 158 B8R1.11 O=CN1CCCC1=O D93023 [0,0,0,1,0,0|3,0,0]=4 159 B8R1.18 CC1=C(C)OC(=O)O1 28609 [0,0,0,1,0,0|1,0,1]=3 160 B8R1.18 CC1=CC(=O)NC1=O W17771 [0,0,0,1,0,0|2,0,1]=4 161 B8R1.18 CC1=CC(=O)OC1=O 43889 [0,0,0,1,0,0|1,0,1]=3 162 B8R1.18 CC1=CC(=O)O[C@@H]1O 24560 [0,0,0,1,0,0|1,0,0]=2 163 B8R1.18 CC1=CC(=O)[C@H](C)O1 D90227 [0,0,0,1,0,0|2,0,0]=3 164 B8R1.18 CC1=CC(Br)=NN1C TD8130 [0,0,0,1,0,0|3,0,0]=4 165 B8R1.18 CC1=CC(C)=NN1C 28977 [0,0,0,1,0,0|3,0,0]=4 166 B8R1.18 CC1=CC(N)=NN1C TD8131 [0,0,0,1,0,0|3,0,0]=4 167 B8R1.18 CC1=CC(S)=C(C)O1 C15990 [0,0,0,1,0,0|2,0,1]=4 168 B8R1.18 CC1=NC(C)=C(C)O1 78979 [0,0,0,1,0,0|2,0,1]=4 169 B8R1.18 C[C@@H]1NC(=O)OC1=O 31223 [0,0,0,1,0,0|3,0,0]=4 170 B8R1.18 C[C@H]1CC(=O)NC1=O 64374 [0,0,0,1,0,0|3,0,0]=4 171 B8R1.18 C[C@H]1CC(=O)OC1=O C10641 [0,0,0,1,0,0|3,0,0]=4 172 B8R1.18 O=C1C=C(Br)C(=O)O1 C10222 [0,0,0,1,0,0|2,0,1]=4 173 B8R1.22 C=C1OCCCCO1 A10906 [0,0,0,1,0,0|2,0,1]=4 174 B8R1.22 O=C1C=CCCCC1 S10329 [0,0,0,1,0,0|1,0,0]=2 175 B8R1.22 O=C1CCCCCN1 D70254 [0,0,0,1,0,0|1,0,2]=4 176 B8R1.22 O=C1CCCCCO1 D70255 [0,0,0,1,0,0|0,0,2]=3 177 B8R1.22 O=C1CNCCCN1 71619 [0,0,0,1,0,0|2,0,1]=4 178 B8R1.22 O=C1CNCCCN1 86465 [0,0,0,1,0,0|2,0,1]=4 179 B8R1.37 CCOC(=N)C1CC1 AC2329 [0,0,0,1,0,0|1,0,2]=4 180 B8R1.37 CCOC(=O)C1CC1 FD10459 [0,0,0,1,0,0|0,0,2]=3 181 B8R1.37 CCOC(=O)[C@@H]1CO1 F30214 [0,0,0,1,0,0|1,0,1]=3 182 B5R0.1 C=C(C)OCC 78535 [2,0,0,0,0,0|1,0,0]=3 183 B5R0.1 C=CCC(=O)O H10768 [2,0,0,0,0,0|0,0,2]=4 184 B5R0.1 C=CNC(C)=O D92786 [2,0,0,0,0,0|1,0,1]=4 185 B5R0.1 CC#CC(=O)O 66664 [2,0,0,0,0,0|0,0,2]=4 186 B5R0.1 CC(=O)CCCl F20480 [2,0,0,0,0,0|2,0,0]=4 187 B5R0.1 CC(=O)CCO 55787 [2,0,0,0,0,0|2,0,0]=4 188 B5R0.1 CC(=O)NCO FD10622 [2,0,0,0,0,0|2,0,0]=4 189 B5R0.1 CC(=O)OCBr A12670 [2,0,0,0,0,0|1,0,0]=3 190 B5R0.1 CC(=O)OCCl D78132 [2,0,0,0,0,0|1,0,0]=3 191 B5R0.1 CC(=O)\C=N\O D72887 [2,0,0,0,0,0|2,0,0]=4 192 B5R0.1 CC(C)=CC=O 23180 [2,0,0,0,0,0|2,0,0]=4 193 B5R0.1 CC=C[C@H](C)O D84201 [2,0,0,0,0,0|0,0,2]=4 194 B5R0.1 CCCC(=O)[O-] D84277 [2,0,0,0,0,0|2,0,0]=4 195 B5R0.1 CCCC(N)=O D70204 [2,0,0,0,0,0|2,0,0]=4 196 B5R0.1 CCNC(C)=O AC2513 [2,0,0,0,0,0|1,0,0]=3 197 B5R0.1 CCNC(N)=O D95291 [2,0,0,0,0,0|2,0,0]=4 198 B5R0.1 CCOC(=S)[S-] D78138 [2,0,0,0,0,0|1,1,0]=4 199 B5R0.1 CCOC(=S)[S-] D90455 [2,0,0,0,0,0|1,1,0]=4 200 B5R0.1 CCOC(C)=N D70134 [2,0,0,0,0,0|1,0,0]=3 201 B5R0.1 CCOC(N)=O F21294 [2,0,0,0,0,0|1,0,0]=3 202 B5R0.1 CCO[SiH](C)C I11477 [2,0,0,0,0,0|1,1,0]=4 203 B5R0.1 CCSC(C)=O H11301 [2,0,0,0,0,0|0,1,0]=3 204 B5R0.1 CNCC(=O)O 73735 [2,0,0,0,0,0|1,0,1]=4 205 B5R0.1 CNCC(=O)O AC7804 [2,0,0,0,0,0|1,0,1]=4 206 B5R0.1 COCC(=O)O D77874 [2,0,0,0,0,0|1,0,1]=4 207 B5R0.1 COCC(C)=O D91400 [2,0,0,0,0,0|1,0,1]=4 208 B5R0.1 CSCC(=O)O F15988 [2,0,0,0,0,0|1,0,1]=4 209 B5R0.1 C\C=C\B(O)O I12778 [2,0,0,0,0,0|1,0,1]=4 210 B5R0.1 C\C=C\C(=O)Cl D78102 [2,0,0,0,0,0|1,0,0]=3 211 B5R0.1 C\C=C\C(=O)Cl F20351 [2,0,0,0,0,0|1,0,0]=3 212 B5R0.1 C\C=C\C(=O)O RB8002 [2,0,0,0,0,0|0,0,0]=2 213 B5R0.1 C\C=C\C(C)=O F17125 [2,0,0,0,0,0|0,0,0]=2 214 B5R0.1 O=C(Cl)OCCl H11933 [2,0,0,0,0,0|2,0,0]=4 215 B5R0.1 O=C(O)\C=C/Cl H10108 [2,0,0,0,0,0|1,0,0]=3 216 B5R0.2 CC\C=C\C#N D92033 [2,0,0,0,0,0|1,0,1]=4 217 B5R0.2 CC\C=C\C=O 11553 [2,0,0,0,0,0|1,0,0]=3 218 B5R0.2 C\C=C/CCC D90857 [2,0,0,0,0,0|0,0,1]=3 219 B5R0.3 C#CC(=O)OC P17723 [2,0,0,0,0,0|0,0,2]=4 220 B5R0.3 C=CC(=O)NC AB9590 [2,0,0,0,0,0|1,0,0]=3 221 B5R0.3 C=C[C@@H](O)CC F15421 [2,0,0,0,0,0|0,0,2]=4 222 B5R0.3 CCC(=O)CBr F10475 [2,0,0,0,0,0|1,0,1]=4 223 B5R0.3 CCC(=O)CO C75383 [2,0,0,0,0,0|1,0,1]=4 224 B5R0.3 CCC(=O)NC D91338 [2,0,0,0,0,0|1,0,0]=3 225 B5R0.3 CCC(=O)NN 20641 [2,0,0,0,0,0|2,0,0]=4 226 B5R0.3 CCS(=O)CC D81870 [2,0,0,0,0,0|1,0,1]=4 227 B5R0.3 CNC(=O)CBr H10939 [2,0,0,0,0,0|2,0,0]=4 228 B5R0.3 CNC(=O)CCl 28994 [2,0,0,0,0,0|2,0,0]=4 229 B5R0.3 CNC(=O)CN AC1534 [2,0,0,0,0,0|2,0,0]=4 230 B5R0.3 CNC(=O)CN FD21644 [2,0,0,0,0,0|2,0,0]=4 231 B5R0.3 CNC(=O)NC P17517 [2,0,0,0,0,0|2,0,0]=4 232 B5R0.3 CNC(=O)OC 29564 [2,0,0,0,0,0|1,0,0]=3 233 B5R0.3 COC(=O)CN 20047 [2,0,0,0,0,0|1,0,1]=4 234 B5R0.3 COC(=O)CO 39413 [2,0,0,0,0,0|1,0,1]=4 235 B5R0.3 COC(=O)NN P17509 [2,0,0,0,0,0|2,0,0]=4 236 B5R0.3 COC(=O)SCl D91417 [2,0,0,0,0,0|2,0,0]=4 237 B5R0.3 CSC(=O)SC D89996 [2,0,0,0,0,0|1,1,0]=4 238 B7R0.2 C=CC(=O)NC(C)C D70366 [1,1,0,0,0,0|1,0,0]=3 239 B7R0.2 CC(C)OC(=O)CO 77517 [1,1,0,0,0,0|1,0,1]=4 240 B7R0.2 CCC(=O)CC(C)=O 24687 [1,1,0,0,0,0|0,0,1]=3 241 B7R0.2 CCC(=O)CC(C)C D90471 [1,1,0,0,0,0|0,0,2]=4 242 B7R0.2 CCC(=O)OC(C)=O 27049 [1,1,0,0,0,0|1,0,0]=3 243 B7R0.2 CNC(=O)NC(C)=O D88213 [1,1,0,0,0,0|2,0,0]=4 244 B7R0.2 COC(=O)C=C(C)C F11280 [1,1,0,0,0,0|0,0,0]=2 245 B7R0.2 COC(=O)CC(=O)Cl D78113 [1,1,0,0,0,0|1,0,1]=4 246 B7R0.2 COC(=O)CC(=O)O 36101 [1,1,0,0,0,0|1,0,1]=4 247 B7R0.2 COC(=O)CC(=O)[O-] 20517 [1,1,0,0,0,0|1,0,1]=4 248 B7R0.2 COC(=O)CC(C)=O D70329 [1,1,0,0,0,0|0,0,1]=3 249 B7R0.2 COC(=O)CC(C)C 79108 [1,1,0,0,0,0|0,0,2]=4 250 B7R0.2 COC(=O)CC(N)=O 36581 [1,1,0,0,0,0|1,0,1]=4 251 B7R0.2 COC(=O)CC(N)=S AC2409 [1,1,0,0,0,0|1,0,1]=4 252 B7R0.2 COC(=O)CN(C)C H10578 [1,1,0,0,0,0|1,0,1]=4 253 B7R0.2 COC(=O)C[C@H](C)Br O11908 [1,1,0,0,0,0|0,0,2]=4 254 B7R0.2 COC(=O)C[C@H](C)N 75000 [1,1,0,0,0,0|0,0,2]=4 255 B7R0.2 COC(=O)C[C@H](C)N 75001 [1,1,0,0,0,0|0,0,2]=4 256 B7R0.2 COC(=O)C[C@H](C)N F14792 [1,1,0,0,0,0|0,0,2]=4 257 B7R0.2 COC(=O)C[C@H](C)O AC7720 [1,1,0,0,0,0|0,0,2]=4 258 B7R0.2 COC(=O)C[C@H](C)O C14861 [1,1,0,0,0,0|0,0,2]=4 259 B7R0.2 COC(=O)C[C@H](C)O F15447 [1,1,0,0,0,0|0,0,2]=4 260 B7R0.2 COC(=O)\C=C(/C)N 44431 [1,1,0,0,0,0|0,0,0]=2 261 B7R0.2 COC(=O)\C=C(\C)N 28478 [1,1,0,0,0,0|0,0,0]=2 262 B7R0.3 C=CC(=O)NCCN S10694 [1,1,0,0,0,0|1,0,0]=3 263 B7R0.3 C=CC(=O)NCCO D78367 [1,1,0,0,0,0|1,0,0]=3 264 B7R0.3 C=CC(=O)OCCO D78194 [1,1,0,0,0,0|0,0,0]=2 265 B7R0.3 C=CCOC(=O)C=C D88468 [1,1,0,0,0,0|0,0,1]=3 266 B7R0.3 C=CCOC(=O)OC H10625 [1,1,0,0,0,0|0,0,2]=4 267 B7R0.3 CCCCC(=O)CC D90783 [1,1,0,0,0,0|0,0,2]=4 268 B7R0.3 CCCOC(=O)OC D83836 [1,1,0,0,0,0|1,0,0]=3 269 B7R0.3 CC\C=C\C(=O)OC S12000 [1,1,0,0,0,0|0,0,0]=2 270 B7R0.3 CNCCC(=O)NC 30723 [1,1,0,0,0,0|2,0,0]=4 271 B7R0.3 CNCCC(=O)OC 32388 [1,1,0,0,0,0|0,0,2]=4 272 B7R0.3 COC(=O)CCC=O 63110 [1,1,0,0,0,0|1,0,1]=4 273 B7R0.3 COC(=O)CCCBr S11981 [1,1,0,0,0,0|0,0,2]=4 274 B7R0.3 COC(=O)CCCCl 28856 [1,1,0,0,0,0|0,0,2]=4 275 B7R0.3 COC(=O)CCCN 64233 [1,1,0,0,0,0|0,0,2]=4 276 B7R0.3 COC(=O)CNC=O C10698 [1,1,0,0,0,0|1,0,1]=4 277 B7R0.3 COC(=O)\C=C\CBr F11439 [1,1,0,0,0,0|0,0,0]=2 278 B7R0.3 COC(=O)\C=C\CBr O11933 [1,1,0,0,0,0|0,0,0]=2 279 B7R0.3 CO\C=C\C(=O)OC D73879 [1,1,0,0,0,0|0,0,0]=2 280 B7R0.3 CO\C=C\C(=O)OC O11915 [1,1,0,0,0,0|0,0,0]=2 281 B7R0.5 C=C(Br)C(=O)OCC AB9222 [1,1,0,0,0,0|0,0,0]=2 282 B7R0.5 CC(C)C(=O)OCBr D94295 [1,1,0,0,0,0|1,0,1]=4 283 B7R0.5 CC(C)C(=O)OCCl P11842 [1,1,0,0,0,0|1,0,1]=4 284 B7R0.5 CCCC(=O)C(C)C D91358 [1,1,0,0,0,0|0,0,2]=4 285 B7R0.5 CCOC(=O)C(=O)O C75898 [1,1,0,0,0,0|1,0,0]=3 286 B7R0.5 CCOC(=O)C(=O)[O-] D90598 [1,1,0,0,0,0|1,0,0]=3 287 B7R0.5 CCOC(=O)C(C)=O D72526 [1,1,0,0,0,0|0,0,0]=2 288 B7R0.5 CCOC(=O)C(F)F FD2077 [1,1,0,0,0,0|1,0,1]=4 289 B7R0.5 CCOC(=O)C(N)=O C13633 [1,1,0,0,0,0|1,0,0]=3 290 B7R0.5 CCOC(=O)C(N)=S 35744 [1,1,0,0,0,0|1,0,0]=3 291 B7R0.5 CCOC(=O)N(C)C A10839 [1,1,0,0,0,0|1,0,0]=3 292 B7R0.5 CCOC(=O)[C@@H](F)Br 76577 [1,1,0,0,0,0|1,0,1]=4 293 B7R0.5 CCOC(=O)[C@@H](F)Cl 76578 [1,1,0,0,0,0|1,0,1]=4 294 B7R0.5 CCOC(=O)[C@H](C)Br D96513 [1,1,0,0,0,0|0,0,1]=3 295 B7R0.5 CCOC(=O)[C@H](C)F 28664 [1,1,0,0,0,0|0,0,1]=3 296 B7R0.5 CCOC(=O)[C@H](C)F AT11657 [1,1,0,0,0,0|0,0,1]=3 297 B7R0.5 CCOC(=O)[C@H](C)I D90599 [1,1,0,0,0,0|0,0,1]=3 298 B7R0.5 CCOC(=O)[C@H](C)N 75100 [1,1,0,0,0,0|0,0,1]=3 299 B7R0.5 CCOC(=O)[C@H](C)N FD21011 [1,1,0,0,0,0|0,0,1]=3 300 B7R0.5 CCOC(=O)[C@H](C)N FD21071 [1,1,0,0,0,0|0,0,1]=3 301 B7R0.5 CCOC(=O)[C@H](C)O 35087 [1,1,0,0,0,0|0,0,1]=3 302 B7R0.5 CCOC(=O)[C@H](C)S D81899 [1,1,0,0,0,0|0,0,1]=3 303 B7R0.10 C=C(CBr)C(=O)OC 35784 [1,1,0,0,0,0|1,0,1]=4 304 B7R0.10 C=C(CO)C(=O)OC 35969 [1,1,0,0,0,0|1,0,1]=4 305 B7R0.10 CCC(=O)C(=O)CC D90906 [1,1,0,0,0,0|0,0,1]=3 306 B7R0.10 CCC(=O)C(=O)OC F16310 [1,1,0,0,0,0|0,0,1]=3 307 B7R0.10 CCC(=O)N(C)OC AR3350 [1,1,0,0,0,0|2,0,0]=4 308 B7R0.10 CCC(=O)[C@@H](O)CC D92050 [1,1,0,0,0,0|0,0,2]=4 309 B7R0.10 CC[C@H](Br)C(=O)OC H11989 [1,1,0,0,0,0|0,0,2]=4 310 B7R0.10 CC[C@H](N)C(=O)OC 63264 [1,1,0,0,0,0|0,0,2]=4 311 B7R0.10 CC[C@H](N)C(=O)OC F11947 [1,1,0,0,0,0|0,0,2]=4 312 B7R0.10 CC[C@H](N)C(=O)OC H10859 [1,1,0,0,0,0|0,0,2]=4 313 B7R0.10 CC[C@H](O)C(=O)OC D94650 [1,1,0,0,0,0|0,0,2]=4 314 B7R0.10 CNC(=O)C(=O)NC D95690 [1,1,0,0,0,0|2,0,0]=4 315 B7R0.10 CN[C@@H](C)C(=O)OC D84599 [1,1,0,0,0,0|1,0,1]=4 316 B7R0.10 CN[C@@H](C)C(=O)OC FD21060 [1,1,0,0,0,0|1,0,1]=4 317 B7R0.10 COC(=O)C(=O)CBr O11905 [1,1,0,0,0,0|1,0,1]=4 318 B7R0.10 COC(=O)[C@H](C)OC AT18834 [1,1,0,0,0,0|1,0,1]=4 319 B7R0.10 C\C=C(/Br)C(=O)OC 69499 [1,1,0,0,0,0|0,0,0]=2 320 B7R0.11 C=C[Si](C)(C)OCC 23153 [1,1,0,0,0,0|1,1,0]=4 321 B7R0.1 CCCC\C=C\C=O 39424 [1,1,0,0,0,0|2,0,0]=4 322 B7R0.1 CC\C=C\C=C\C=O D90931 [1,1,0,0,0,0|1,0,1]=4 323 B7R0.4 CCC\C=C\C(=O)O C10700 [1,1,0,0,0,0|2,0,0]=4 324 B7R0.4 CCC\C=C\C(C)=O F17581 [1,1,0,0,0,0|1,0,0]=3 325 B7R0.4 CCO\C=C\C(=O)O 30211 [1,1,0,0,0,0|1,0,0]=3 326 B9R0.5 CCCNCC(=O)OCC 20892 [0,2,0,0,0,0|0,0,2]=4 327 B9R0.5 CCC\C=C\C(=O)OCC D90567 [0,2,0,0,0,0|0,0,0]=2 328 B9R0.5 CCOC(=O)CCCCBr 78992 [0,2,0,0,0,0|0,0,2]=4 329 B9R0.5 CCOC(=O)COCCCl 30785 [0,2,0,0,0,0|0,0,2]=4 330 B9R0.5 CCOC=CC(=O)OCC CL4510 [0,2,0,0,0,0|0,0,0]=2 331 B9R0.5 CCO\C=C\C(=O)OCC F11937 [0,2,0,0,0,0|0,0,0]=2 332 B9R0.5 C\C=C\C=C\C(=O)OCC D78104 [0,2,0,0,0,0|0,0,0]=2 333 B9R0.8 CCCOC(=O)[C@@H](C)CC D92159 [0,2,0,0,0,0|0,0,2]=4 334 B9R0.34 CCCC(=O)CC(=O)OC F16755 [0,2,0,0,0,0|1,0,1]=4 335 B9R0.34 CCOC(=O)CC(=O)CBr 34205 [0,2,0,0,0,0|0,0,1]=3 336 B9R0.34 CCOC(=O)CC(=O)CC 28527 [0,2,0,0,0,0|0,0,1]=3 337 B9R0.34 CCOC(=O)CC(=O)CCl D77354 [0,2,0,0,0,0|0,0,1]=3 338 B9R0.34 CCOC(=O)CC(=O)NC F20489 [0,2,0,0,0,0|0,0,1]=3 339 B9R0.34 CCOC(=O)CC(=O)NN 76579 [0,2,0,0,0,0|1,0,1]=4 340 B9R0.34 CCOC(=O)C[C@H](O)CCl 23033 [0,2,0,0,0,0|0,0,2]=4 341 B9R0.34 CCOC(=O)C[C@H](O)CCl 23075 [0,2,0,0,0,0|0,0,2]=4 342 B9R0.34 CCOC(=O)\C=C(/C)C=O F16586 [0,2,0,0,0,0|0,0,0]=2 343 B9R0.34 CCOC(=O)\C=C(/C)NC AC7636 [0,2,0,0,0,0|0,0,0]=2 344 B9R0.35 C=CC[C@H](C)C(=O)OCC D90556 [0,2,0,0,0,0|0,0,2]=4 345 B9R0.35 CCCC(=O)C(=O)OCC 34423 [0,2,0,0,0,0|0,0,1]=3 346 B9R0.35 CCC[C@H](Br)C(=O)OCC H11305 [0,2,0,0,0,0|0,0,2]=4 347 B9R0.35 CCC[C@H](N)C(=O)OCC 64698 [0,2,0,0,0,0|0,0,2]=4 348 B9R0.35 CCC[C@H](O)C(=O)OCC D90546 [0,2,0,0,0,0|0,0,2]=4 349 B9R0.35 CCOC(=N)C(=O)OCC 36102 [0,2,0,0,0,0|0,0,1]=3 350 B9R0.35 CCOC(=O)[C@@H](Br)CCBr AB1432 [0,2,0,0,0,0|0,0,2]=4 351 B9R0.35 CCOC(=O)[C@H](Cl)OCC F20949 [0,2,0,0,0,0|0,0,2]=4 352 B9R0.48 CCOC(=O)CCC(=O)Cl 75812 [0,2,0,0,0,0|1,0,1]=4 353 B9R0.48 CCOC(=O)CCC(=O)O O11227 [0,2,0,0,0,0|1,0,1]=4 354 B9R0.48 CCOC(=O)CCC(C)=O D77713 [0,2,0,0,0,0|0,0,1]=3 355 B9R0.48 CCOC(=O)CCC(C)C D81903 [0,2,0,0,0,0|0,0,2]=4 356 B9R0.48 CCOC(=O)CCC(N)=O 59592 [0,2,0,0,0,0|1,0,1]=4 357 B9R0.48 CCOC(=O)CNC(C)=O C10387 [0,2,0,0,0,0|0,0,1]=3 358 B9R0.48 CCOC(=O)\C=C\C(=O)O 28587 [0,2,0,0,0,0|0,0,1]=3 359 B9R0.48 CCOC(=O)\C=C\N(C)C D78277 [0,2,0,0,0,0|0,0,0]=2 360 B9R0.48 CCOC(=O)\C=C\N(C)C F20318 [0,2,0,0,0,0|0,0,0]=2 361 B9R0.6 CCOC(=O)C(=O)C(C)C 76551 [0,2,0,0,0,0|0,0,1]=3 362 B9R0.6 CCOC(=O)[C@@H](Br)C(C)=O D97591 [0,2,0,0,0,0|0,0,1]=3 363 B9R0.6 CCOC(=O)[C@@H](Br)C(C)C 33249 [0,2,0,0,0,0|0,0,2]=4 364 B9R0.6 CCOC(=O)[C@@H](C)C(C)=O F11259 [0,2,0,0,0,0|0,0,1]=3 365 B9R0.6 CCOC(=O)[C@@H](Cl)C(C)=O D77847 [0,2,0,0,0,0|0,0,1]=3 366 B9R0.6 CCOC(=O)[C@@H](F)C(C)=O AT18756 [0,2,0,0,0,0|0,0,1]=3 367 B9R0.6 CCOC(=O)[C@@H](N)C(C)C D82384 [0,2,0,0,0,0|0,0,2]=4 368 B9R0.6 CCOC(=O)[C@@H](N)C(C)C F16291 [0,2,0,0,0,0|0,0,2]=4 369 B9R0.6 CCOC(=O)[C@@H](N)C(C)C I11507 [0,2,0,0,0,0|0,0,2]=4 370 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O AB10194 [0,2,0,0,0,0|0,0,2]=4 371 B9R0.37 CCOC(=O)C(C=O)C=O 39194 [0,2,0,0,0,0|1,0,1]=4 372 B9R0.37 CCOC(=O)[C@@H](C#N)CC AB11285 [0,2,0,0,0,0|0,0,2]=4 373 B9R0.37 CCOC(=O)\C(C#N)=N\O C93473 [0,2,0,0,0,0|1,0,1]=4 374 B9R0.37 CCOC(=O)\C(C#N)=N\O CL4504 [0,2,0,0,0,0|1,0,1]=4 375 B9R0.44 C=CCC(=O)OC(C)(C)C AC9359 [0,2,0,0,0,0|0,0,2]=4 376 B9R0.44 C=CNC(=O)OC(C)(C)C A50062 [0,2,0,0,0,0|1,0,1]=4 377 B9R0.44 CCNC(=O)OC(C)(C)C AB10777 [0,2,0,0,0,0|1,0,1]=4 378 B9R0.44 CCOC(=O)CC(C)(C)N 23275 [0,2,0,0,0,0|0,0,2]=4 379 B9R0.44 CCOC(=O)CC(C)(C)N 72417 [0,2,0,0,0,0|0,0,2]=4 380 B9R0.44 CCOC(=O)CC(C)(F)F H10958 [0,2,0,0,0,0|0,0,2]=4 381 B9R0.44 CCOC(=O)CS(C)(=O)=O 29349 [0,2,0,0,0,0|1,0,1]=4 382 B9R0.44 CCOC(=O)C[Si](C)(C)C 76521 [0,2,0,0,0,0|0,1,1]=4 383 B9R0.44 CNCC(=O)OC(C)(C)C 73300 [0,2,0,0,0,0|1,0,1]=4 384 B9R0.44 CNCC(=O)OC(C)(C)C D70805 [0,2,0,0,0,0|1,0,1]=4 385 B9R0.53 CC(=O)CC(=O)CC(C)C D91362 [0,2,0,0,0,0|1,0,1]=4 386 B9R0.53 CC(=O)CC(=O)OC(C)C 43946 [0,2,0,0,0,0|0,0,1]=3 387 B9R0.53 CC(C)=CC(=O)C=C(C)C F12420 [0,2,0,0,0,0|1,0,1]=4 388 B9R0.53 CC(C)OC(=O)O[C@H](C)Cl D70996 [0,2,0,0,0,0|1,0,1]=4 389 B9R0.53 C\C(N)=C\C(=O)OC(C)C 43947 [0,2,0,0,0,0|0,0,0]=2 390 B9R0.17 CC=CC(OCC)OCC D93336 [0,2,0,0,0,0|0,0,2]=4 391 B7R1.1 CCC1=CC=CO1 S10154 [1,0,0,1,0,0|0,0,2]=4 392 B7R1.1 CCC1=CC=CS1 D90498 [1,0,0,1,0,0|0,1,1]=4 393 B7R1.1 CCC1=CCC=C1 F14114 [1,0,0,1,0,0|1,0,0]=3 394 B7R1.1 CCC1=CSC=C1 F14946 [1,0,0,1,0,0|2,0,0]=4 395 B7R1.1 COC1=CC=CS1 F14921 [1,0,0,1,0,0|0,1,1]=4 396 B7R1.1 COC1=CSC=C1 63554 [1,0,0,1,0,0|2,0,0]=4 397 B7R1.1 OCC1=CCC=C1 F14117 [1,0,0,1,0,0|2,0,0]=4 398 B7R1.2 CC1=CC(=O)CC1 H10654 [1,0,0,1,0,0|0,0,0]=2 399 B7R1.2 CC1=CC(C)=NO1 75710 [1,0,0,1,0,0|2,0,0]=4 400 B7R1.2 CC1=NOC(N)=C1 71003 [1,0,0,1,0,0|2,0,0]=4 401 B7R1.2 CC1COS(=O)O1 D91602 [1,0,0,1,0,0|2,0,0]=4 402 B7R1.2 CN1C=CC(=O)N1 F30645 [1,0,0,1,0,0|2,0,0]=4 403 B7R1.2 C[C@@H]1CNC(=O)C1 P10078 [1,0,0,1,0,0|2,0,0]=4 404 B7R1.2 C[C@H]1CCC(=O)C1 F10505 [1,0,0,1,0,0|0,0,2]=4 405 B7R1.2 C[C@H]1CCC(=O)N1 D72848 [1,0,0,1,0,0|1,0,1]=4 406 B7R1.2 C[C@H]1CCC(=O)O1 P20539 [1,0,0,1,0,0|0,0,1]=3 407 B7R1.2 C[C@H]1COC(=O)O1 28658 [1,0,0,1,0,0|1,0,0]=3 408 B7R1.2 O=C1C=C[C@@H](O)C1 11013 [1,0,0,1,0,0|2,0,0]=4 409 B7R1.2 O=C1CCC(=O)C1 23085 [1,0,0,1,0,0|1,0,1]=4 410 B7R1.2 O=C1CCC(=O)O1 D78120 [1,0,0,1,0,0|2,0,0]=4 411 B7R1.2 O=C1COC(=O)C1 T72521 [1,0,0,1,0,0|1,0,1]=4 412 B7R1.2 O=C1OC[C@H](Cl)O1 C13865 [1,0,0,1,0,0|2,0,0]=4 413 B7R1.2 O=C1OC[C@H](F)O1 FD2018 [1,0,0,1,0,0|2,0,0]=4 414 B7R1.3 BrC1=CCCCC1 N12373 [1,0,0,1,0,0|1,0,1]=4 415 B7R1.3 Br[C@@H]1C=CCCC1 25070 [1,0,0,1,0,0|1,0,1]=4 416 B7R1.3 CC1=CCCCC1 H10759 [1,0,0,1,0,0|1,0,1]=4 417 B7R1.3 O=C1C=CC=CO1 F16388 [1,0,0,1,0,0|0,0,2]=4 418 B7R1.3 O=C1C=CCCO1 71011 [1,0,0,1,0,0|0,0,0]=2 419 B7R1.3 O=C1CCCCN1 F10312 [1,0,0,1,0,0|1,0,1]=4 420 B7R1.3 O=C1CCCCO1 20506 [1,0,0,1,0,0|0,0,1]=3 421 B7R1.3 O=C1CCCNC1 36189 [1,0,0,1,0,0|1,0,1]=4 422 B7R1.3 O=C1CCCNC1 65124 [1,0,0,1,0,0|1,0,1]=4 423 B7R1.3 O=C1CCCOC1 67990 [1,0,0,1,0,0|1,0,1]=4 424 B7R1.3 O=C1CCCSC1 38182 [1,0,0,1,0,0|1,0,1]=4 425 B7R1.3 O=C1COCCO1 39291 [1,0,0,1,0,0|1,0,1]=4 426 B7R1.3 O=C1NCCCN1 F14817 [1,0,0,1,0,0|2,0,0]=4 427 B7R1.3 O=C1NCCCO1 30441 [1,0,0,1,0,0|1,0,0]=3 428 B7R1.3 O=C1OCCCO1 F20507 [1,0,0,1,0,0|1,0,0]=3 429 B7R1.3 O=S1OCCCO1 D90284 [1,0,0,1,0,0|2,0,0]=4 430 B7R1.3 O[C@@H]1C=CCCC1 59596 [1,0,0,1,0,0|0,0,2]=4 431 B7R1.4 C=C1CCOC1=O FD18014 [1,0,0,1,0,0|0,0,0]=2 432 B7R1.4 CN1CCCC1=O D78116 [1,0,0,1,0,0|2,0,0]=4 433 B7R1.4 CN1CCOC1=O 70761 [1,0,0,1,0,0|1,0,0]=3 434 B7R1.4 CN1NC=CC1=O F17237 [1,0,0,1,0,0|2,0,0]=4 435 B7R1.4 CN1SC=CC1=O D71148 [1,0,0,1,0,0|2,0,0]=4 436 B7R1.4 CN1SC=CC1=O D92969 [1,0,0,1,0,0|2,0,0]=4 437 B7R1.4 C[C@H]1CCCC1=O 29606 [1,0,0,1,0,0|0,0,2]=4 438 B7R1.4 C[C@H]1CCOC1=O D70164 [1,0,0,1,0,0|0,0,1]=3 439 B7R1.4 N[C@H]1CCOC1=O 28853 [1,0,0,1,0,0|1,0,1]=4 440 B7R1.4 N[C@H]1CCOC1=O F14759 [1,0,0,1,0,0|1,0,1]=4 441 B7R1.4 N[C@H]1CCOC1=O FD1139 [1,0,0,1,0,0|1,0,1]=4 442 B7R1.4 N[C@H]1CCOC1=O FD1142 [1,0,0,1,0,0|1,0,1]=4 443 B7R1.4 N[C@H]1CCOC1=O W12226 [1,0,0,1,0,0|1,0,1]=4 444 B7R1.4 O=C1OCC[C@@H]1Br H10671 [1,0,0,1,0,0|1,0,1]=4 445 B7R1.4 O=C1OCC[C@@H]1O A12215 [1,0,0,1,0,0|1,0,1]=4 446 B7R1.4 O=C1OCC[C@@H]1O T72635 [1,0,0,1,0,0|1,0,1]=4 447 B7R1.22 COC(=O)C1CC1 D78080 [1,0,0,1,0,0|0,0,2]=4 448 B7R1.22 COC(=O)[C@@H]1CN1 63227 [1,0,0,1,0,0|1,0,1]=4 449 B7R1.22 COC(=O)[C@@H]1CO1 A11057 [1,0,0,1,0,0|1,0,1]=4 450 B7R1.22 COC(=O)[C@@H]1CO1 AC2359 [1,0,0,1,0,0|1,0,1]=4 451 B7R1.22 COC(=O)[C@@H]1CO1 H11420 [1,0,0,1,0,0|1,0,1]=4 452 B9R1.7 CCOC1=NC(Br)=CS1 BL003408 [0,1,0,1,0,0|2,0,0]=4 453 B9R1.8 CCOC1=CC=CC=C1 D78866 [0,1,0,1,0,0|1,0,1]=4 454 B9R1.8 CCOC1=NC=CC=C1 28909 [0,1,0,1,0,0|1,0,1]=4 455 B9R1.8 CCOC1=NC=CN=C1 AC1594 [0,1,0,1,0,0|1,0,1]=4 456 B9R1.8 CCO[C@@H]1CCC=CO1 28714 [0,1,0,1,0,0|1,0,1]=4 457 B9R1.12 CCOCC1=CC=CO1 O10522 [0,1,0,1,0,0|0,0,2]=4 458 B9R1.22 CC1=C(CCl)OC(=O)O1 33103 [0,1,0,1,0,0|1,0,1]=4 459 B9R1.22 CC1=C(CO)OC(=O)O1 36241 [0,1,0,1,0,0|1,0,1]=4 460 B9R1.27 CCC1=C(C)CNC1=O 45314 [0,1,0,1,0,0|1,0,1]=4 461 B9R1.27 CCC1=C(C)NC=C1C D70970 [0,1,0,1,0,0|2,0,0]=4 462 B9R1.27 CCN1C(=O)C=CC1=O C10091 [0,1,0,1,0,0|1,0,1]=4 463 B9R1.33 O=C1OCCN1CCCl W16070 [0,1,0,1,0,0|1,0,1]=4 464 B9R1.48 O=C1CCCCC(=O)C1 35108 [0,1,0,1,0,0|1,0,1]=4 465 B9R1.48 O=C1CCCCC(=O)O1 F20518 [0,1,0,1,0,0|2,0,0]=4 466 B9R1.48 O=C1CCCCC(=S)N1 D95361 [0,1,0,1,0,0|2,0,0]=4 467 B9R1.50 O=C1CCCCCCO1 D94278 [0,1,0,1,0,0|0,0,2]=4 468 B9R1.73 CCOC(=O)C1CCC1 11047 [0,1,0,1,0,0|0,0,2]=4 469 B9R1.73 CCOC(=O)C1CNC1 60712 [0,1,0,1,0,0|0,0,2]=4 470 B9R1.75 CCOC(=O)C=C1CC1 95464 [0,1,0,1,0,0|0,0,0]=2 471 B9R1.75 CCOC(=O)CC1CC1 F51522 [0,1,0,1,0,0|0,0,2]=4 472 B9R1.183 CCOC(=O)[C@@H]1C[C@@H]1F CS3357 [0,1,0,1,0,0|0,0,2]=4 473 B9R1.37 CC1=C(C)C(=O)OC1=O 78443 [0,1,0,1,0,0|1,0,1]=4 474 B9R1.37 CC1=C(O)C(=O)O[C@H]1C D82247 [0,1,0,1,0,0|0,0,0]=2 475 B9R1.37 CC1=C(O)C(=O)[C@H](C)O1 AC8010 [0,1,0,1,0,0|2,0,0]=4 476 B9R1.37 CC1CC(=O)C(=O)C1C D81912 [0,1,0,1,0,0|1,0,1]=4 477 B9R1.37 O=C1O[C@H](O)C(Cl)=C1Cl 31316 [0,1,0,1,0,0|2,0,0]=4 478 B9R1.74 CCOC(=O)C1(Br)CC1 95835 [0,1,0,1,0,0|0,0,2]=4 479 B9R1.74 CCOC(=O)C1(C)CC1 F14047 [0,1,0,1,0,0|0,0,2]=4 480 B9R1.74 CCOC(=O)C1(N)CC1 83037 [0,1,0,1,0,0|0,0,2]=4 481 B9R1.74 CCOC(=O)C1(N)CC1 FD1022 [0,1,0,1,0,0|0,0,2]=4 482 B9R1.74 CCOC(=O)C1(O)CC1 70470 [0,1,0,1,0,0|0,0,2]=4 483 B9R1.34 CC1=CC(=O)C=C(C)O1 P16521 [0,1,0,1,0,0|1,0,1]=4 484 B9R1.34 CC1=CC(O)=CC(=O)O1 F14831 [0,1,0,1,0,0|0,0,2]=4 485 B9R1.34 CC1CC(=O)CC(=O)C1 76314 [0,1,0,1,0,0|1,0,1]=4 486 B9R1.34 CC1CC(=O)OC(=O)C1 D79206 [0,1,0,1,0,0|2,0,0]=4 487 B9R1.38 CC1(C)OC(=O)NC1=O H10857 [0,1,0,1,0,0|2,0,0]=4 488 B9R1.41 CC(=O)N1CCCC1=O H11367 [0,1,0,1,0,0|2,0,0]=4 489 B9R1.41 CC(=O)N1CCNC1=O F20425 [0,1,0,1,0,0|2,0,0]=4 490 B9R1.41 CC(=O)[C@@H]1CCOC1=O S12358 [0,1,0,1,0,0|0,0,1]=3 491 B9R1.66 C[C@]1(O)CCOC(=O)C1 C76125 [0,1,0,1,0,0|0,0,2]=4 492 B9R1.137 CC(=O)CC(=O)C1CC1 O10401 [0,1,0,1,0,0|1,0,1]=4 493 B9R1.14 CCN1C=CC=C1C=O D77671 [0,1,0,1,0,0|1,0,1]=4 494 B9R1.14 CCN1N=CC=C1C=O W17394 [0,1,0,1,0,0|2,0,0]=4 495 B9R1.23 CC1=CC(C=O)=NN1C H11470 [0,1,0,1,0,0|2,0,0]=4