0 B7R0.7 CCC[C@H](N)CCO N15481 [0,0,0,0,0,0|2,1,1]=4 1 B7R0.7 CCC[C@H](N)CCO N15482 [0,0,0,0,0,0|2,1,1]=4 2 B7R0.7 CCOC(=O)C=[N+]=[N-] D87242 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.7 CCOC(=O)CCN F19878 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.7 CCOC(=O)\C=C\[O-] P10114 [0,0,0,0,0,0|0,1,2]=3 5 B7R0.7 CCSC(=O)OCI C77591 [0,0,0,0,0,0|2,1,0]=3 6 B7R0.7 O=C(CCBr)CCBr 52047 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.1 CCC(=O)N=C=S AT25941 [1,0,0,0,0,0|1,0,2]=4 8 B6R0.1 CCNC(=O)OC C16084 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.1 CCOC(=N)CCl AC8745 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.1 CCOC(=S)SC AC9840 [1,0,0,0,0,0|1,1,0]=3 11 B6R0.1 CC[C@H](N)CCO AT22371 [1,0,0,0,0,0|1,1,1]=4 12 B6R0.1 COCC(=O)CCl D85993 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.1 COCC(=O)OC F53343 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.1 CONC(=O)CCl AT14830 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.1 O=C(CCCl)NO AC8818 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.6 CCOCCNN AC6859 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.6 CCOCCON AT14482 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.6 CCO\C=C\C=O F18326 [1,0,0,0,0,0|0,1,2]=4 19 B8R0.1 CCNC(=O)NCCO AT23087 [0,1,0,0,0,0|1,1,0]=3 20 B8R0.1 CCOC(=O)NCCN AT13715 [0,1,0,0,0,0|1,0,0]=2 21 B8R0.1 CCOC(=O)\C=C\CN 86087 [0,1,0,0,0,0|1,0,1]=3 22 B8R0.3 C#C[C@@H](O)C(=O)OCC T71981 [0,1,0,0,0,0|1,0,1]=3 23 B8R0.3 C=C(CC)C(=O)OCC 97591 [0,1,0,0,0,0|1,0,1]=3 24 B8R0.3 C=C(CCl)C(=O)OCC T70430 [0,1,0,0,0,0|1,0,1]=3 25 B8R0.3 CCOC(=O)[C@@H](C)CN A10614 [0,1,0,0,0,0|1,0,0]=2 26 B8R0.3 CCOC(=O)[C@@H](C)CO AB7220 [0,1,0,0,0,0|0,1,0]=2 27 B8R0.3 CCOC(=O)[C@@H](Cl)C=N L10141 [0,1,0,0,0,0|1,0,1]=3 28 B8R0.3 CCOC(=O)[C@H](C)NC D87311 [0,1,0,0,0,0|2,0,0]=3 29 B8R0.3 CCOC(=O)[C@H](C)OC 90999 [0,1,0,0,0,0|2,0,0]=3 30 B8R0.3 CCOC(=O)\C(Cl)=N\C AC2255 [0,1,0,0,0,0|2,0,1]=4 31 B8R0.5 CC(C)OC(=O)CCS FD10479 [0,1,0,0,0,0|0,0,0]=1 32 B8R0.5 CC(C)OC(=O)OCI D73860 [0,1,0,0,0,0|2,0,0]=3 33 B8R0.5 CCCC(=O)CC(C)C T72726 [0,1,0,0,0,0|2,0,0]=3 34 B8R0.5 CCOC(=O)C[C@H](C)N H11544 [0,1,0,0,0,0|1,0,0]=2 35 B8R0.5 CCOC(=O)C[S+](C)C AT26589 [0,1,0,0,0,0|2,0,0]=3 36 B8R1.4 CC1CCOS(=O)O1 A12529 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.4 CN1CCCC(=O)C1 C14007 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.4 C[C@@H]1C[C@@H](N)CCO1 D79034 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [0,0,0,1,0,0|2,0,0]=3 40 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [0,0,0,1,0,0|2,0,0]=3 41 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [0,0,0,1,0,0|2,0,0]=3 42 B8R1.4 C[C@H]1CNCC(=O)N1 P13905 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.4 N[C@@H]1COCC(=O)C1 F51972 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [0,0,0,1,0,0|1,1,0]=3 45 B8R1.4 O=C1C[C@@H](F)CCN1 P19310 [0,0,0,1,0,0|2,0,0]=3 46 B8R1.6 CCC=C1CC(O)C1 AT14798 [0,0,0,1,0,0|2,1,0]=4 47 B8R1.8 CCCC1=NCCO1 T72500 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.8 NCC[C@H]1CCCO1 AT11471 [0,0,0,1,0,0|2,0,1]=4 49 B8R1.8 OCC[C@H]1CCCO1 56770 [0,0,0,1,0,0|1,1,1]=4 50 B8R1.11 CC[C@H]1CCNC1=O AT18851 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.11 CO[C@H]1CCCC1=O AT25997 [0,0,0,1,0,0|3,0,0]=4 52 B8R1.18 CC1CC(=O)OC1C AC8330 [0,0,0,1,0,0|1,0,0]=2 53 B8R1.18 CC1CC(=O)OC1O S10278 [0,0,0,1,0,0|2,0,0]=3 54 B8R1.18 CC1NC(=O)CC1O 94943 [0,0,0,1,0,0|1,1,0]=3 55 B8R1.18 C[C@@H]1OC(=O)NC1=O D75118 [0,0,0,1,0,0|1,1,1]=4 56 B8R1.37 CCOC(=O)[C@@H]1CO1 A10023 [0,0,0,1,0,0|0,1,0]=2 57 B5R0.1 C=C(C)CCC D91296 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.1 CC#CC(C)=O AC8567 [2,0,0,0,0,0|1,0,1]=4 59 B5R0.1 CC(=O)CCBr D82681 [2,0,0,0,0,0|1,0,0]=3 60 B5R0.1 CNCC(C)=O 72642 [2,0,0,0,0,0|2,0,0]=4 61 B5R0.1 CONC(C)=O AT24901 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.1 C[S@](=O)CCN AT24516 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.1 C[S@](=O)CCN AT24517 [2,0,0,0,0,0|2,0,0]=4 64 B5R0.1 C[S@](=O)CCO E72546 [2,0,0,0,0,0|1,1,0]=4 65 B5R0.1 NCCC(=O)O T70551 [2,0,0,0,0,0|1,0,0]=3 66 B5R0.1 NCCC(N)=O AC6190 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.1 NCC[P@H](=O)O S12399 [2,0,0,0,0,0|2,0,0]=4 68 B5R0.1 [2H]C(=O)OCC D98566 [2,0,0,0,0,0|1,0,0]=3 69 B5R0.2 CCCNOC AT24927 [2,0,0,0,0,0|2,0,0]=4 70 B5R0.2 CONCCO AT24903 [2,0,0,0,0,0|1,1,0]=4 71 B5R0.2 C\C=C\CCN AT22492 [2,0,0,0,0,0|1,0,1]=4 72 B5R0.3 C=C(CC)CBr C77504 [2,0,0,0,0,0|2,0,0]=4 73 B5R0.3 C=C(CC)CC D90428 [2,0,0,0,0,0|1,0,0]=3 74 B5R0.3 CCC(=O)CCl AT22640 [2,0,0,0,0,0|1,0,0]=3 75 B5R0.3 CCP(Cl)CC A12755 [2,0,0,0,0,0|2,0,0]=4 76 B5R0.3 COC(=N)CCl H10399 [2,0,0,0,0,0|2,0,0]=4 77 B5R0.3 [2H]N(CC)CC D98468 [2,0,0,0,0,0|2,0,0]=4 78 B7R0.2 CC(C)CC(=O)CN F50535 [1,1,0,0,0,0|2,0,0]=4 79 B7R0.2 COC(=O)CN(C)C F21349 [1,1,0,0,0,0|2,0,0]=4 80 B7R0.2 COC(=O)C[C@H](C)N N13255 [1,1,0,0,0,0|1,0,0]=3 81 B7R0.3 CCC(=O)OCOC D72002 [1,1,0,0,0,0|0,0,0]=2 82 B7R0.3 CCCNC(=O)CN C78397 [1,1,0,0,0,0|2,0,0]=4 83 B7R0.3 CCONC(=O)CN AT14835 [1,1,0,0,0,0|1,0,0]=3 84 B7R0.3 CNC(=O)NCCO AT23083 [1,1,0,0,0,0|1,1,0]=4 85 B7R0.3 CNC(=O)OCCO AT13707 [1,1,0,0,0,0|1,0,0]=3 86 B7R0.3 CNOCC(=O)OC AT14517 [1,1,0,0,0,0|2,0,0]=4 87 B7R0.3 COC(=N)CCCCl C76486 [1,1,0,0,0,0|2,0,0]=4 88 B7R0.3 COC(=O)CCCN 32601 [1,1,0,0,0,0|1,0,0]=3 89 B7R0.3 COC(=O)NCCN AT13709 [1,1,0,0,0,0|1,0,0]=3 90 B7R0.3 COC(=O)\C=C\CO AT12483 [1,1,0,0,0,0|0,1,1]=4 91 B7R0.5 CC(C)C(=O)NCO 81303 [1,1,0,0,0,0|1,1,0]=4 92 B7R0.5 CCOC(=N)C(C)C W12825 [1,1,0,0,0,0|1,0,0]=3 93 B7R0.5 CN(C)C(=O)CCCl F53638 [1,1,0,0,0,0|2,0,0]=4 94 B7R0.5 CN(C)C(=O)CCN P17578 [1,1,0,0,0,0|2,0,0]=4 95 B7R0.5 CN(C)C(=O)OCCl C77477 [1,1,0,0,0,0|2,0,0]=4 96 B7R0.10 C=C(CC)C(=O)OC 82635 [1,1,0,0,0,0|1,0,1]=4 97 B7R0.10 CNC(=O)[C@@H](N)CO N10757 [1,1,0,0,0,0|1,1,0]=4 98 B7R0.10 COC(=O)[C@@H](Br)CF AT23055 [1,1,0,0,0,0|1,0,0]=3 99 B7R0.10 COC(=O)[C@@H](C)C=O AC6281 [1,1,0,0,0,0|0,1,1]=4 100 B7R0.10 COC(=O)[C@@H](Cl)C=O 89839 [1,1,0,0,0,0|0,1,1]=4 101 B7R0.10 COC(=O)[C@@H](F)CN 94842 [1,1,0,0,0,0|1,0,0]=3 102 B7R0.10 COC(=O)[C@@H](N)CO D87908 [1,1,0,0,0,0|0,1,0]=3 103 B7R0.10 COC(=O)[C@@H](O)CN A11345 [1,1,0,0,0,0|1,0,0]=3 104 B7R0.10 COC(=O)[C@H](C)OC 29231 [1,1,0,0,0,0|2,0,0]=4 105 B7R0.10 [C-]#[N+][C@@H](C)C(=O)OC AC8795 [1,1,0,0,0,0|2,0,0]=4 106 B7R0.11 CCOC(C)(C)CC D78478 [1,1,0,0,0,0|1,0,1]=4 107 B7R0.11 CCS(=O)(=O)CCN AT25558 [1,1,0,0,0,0|2,0,0]=4 108 B7R0.1 COCCOCCS AT10124 [1,1,0,0,0,0|2,0,0]=4 109 B7R0.1 OCC\C=C\CCO AT19969 [1,1,0,0,0,0|1,1,0]=4 110 B9R0.4 CCOCC(=O)OC(C)C 94622 [0,2,0,0,0,0|1,0,0]=3 111 B9R0.5 C#CCOCC(=O)OCC AT18918 [0,2,0,0,0,0|1,0,0]=3 112 B9R0.5 CCOC(=O)CCCNC AB10379 [0,2,0,0,0,0|1,0,0]=3 113 B9R0.5 CCOC(=O)CNCCN FD21627 [0,2,0,0,0,0|1,0,0]=3 114 B9R0.5 CCOC(=O)N\N=C\CCl F18063 [0,2,0,0,0,0|1,0,1]=4 115 B9R0.18 C=CCOC(=O)NCCO D74814 [0,2,0,0,0,0|0,1,1]=4 116 B9R0.34 C=C[C@@H](O)CC(=O)OCC AC6052 [0,2,0,0,0,0|0,1,0]=3 117 B9R0.34 CCOC(=O)C[C@H](O)CBr 11423 [0,2,0,0,0,0|0,1,0]=3 118 B9R0.34 CCOC(=O)C[C@H](O)CI CS2877 [0,2,0,0,0,0|0,1,0]=3 119 B9R0.34 CCOC(=O)\C=C(/C)CBr H10647 [0,2,0,0,0,0|1,0,1]=4 120 B9R0.48 CCOC(=O)\C=C\C(C)C W15771 [0,2,0,0,0,0|1,0,1]=4 121 B9R0.48 CCOC(=O)\C=C\C(F)F 72388 [0,2,0,0,0,0|1,0,1]=4 122 B9R0.6 CCOC(=O)[C@@H](F)C(=O)O C91038 [0,2,0,0,0,0|0,1,1]=4 123 B9R0.6 CCOC(=O)[C@@H](N)C(C)=O 93013 [0,2,0,0,0,0|0,1,1]=4 124 B9R0.19 CCOC(=O)C(F)(F)CO C15704 [0,2,0,0,0,0|0,1,0]=3 125 B9R0.19 CCOC(=O)[C@@](C)(N)CC D78556 [0,2,0,0,0,0|1,0,0]=3 126 B9R0.37 CCOC(=O)[C@@H](CC)CN 97590 [0,2,0,0,0,0|1,0,0]=3 127 B9R0.37 CCOC(=O)\C(CBr)=N/O 88092 [0,2,0,0,0,0|1,0,1]=4 128 B9R0.44 CC(C)(C)OC(=O)CCCl C15988 [0,2,0,0,0,0|1,0,0]=3 129 B9R0.44 CCOC(=O)CS(N)(=O)=O AC6353 [0,2,0,0,0,0|1,1,0]=4 130 B9R0.44 CCOC(=O)NC(C)(C)C AC9360 [0,2,0,0,0,0|2,0,0]=4 131 B9R0.15 CCC[C@H](OCC)C(=O)O AC7206 [0,2,0,0,0,0|1,0,1]=4 132 B7R1.2 CN1CCC(=O)C1 64219 [1,0,0,1,0,0|2,0,0]=4 133 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [1,0,0,1,0,0|2,0,0]=4 134 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [1,0,0,1,0,0|1,0,0]=3 135 B7R1.2 C[C@H]1CNC(=O)O1 C13778 [1,0,0,1,0,0|1,0,0]=3 136 B7R1.2 C[C@H]1COC(=O)N1 C77658 [1,0,0,1,0,0|2,0,0]=4 137 B7R1.2 C[C@H]1NCC(=O)N1 F31285 [1,0,0,1,0,0|2,0,0]=4 138 B7R1.2 C[C@H]1NCC(=O)N1 F31286 [1,0,0,1,0,0|2,0,0]=4 139 B7R1.2 N[C@H]1CCC(=O)C1 C14417 [1,0,0,1,0,0|1,0,0]=3 140 B7R1.2 O=C1CC[C@H](F)C1 P11910 [1,0,0,1,0,0|1,0,0]=3 141 B7R1.2 O=C1CN[C@@H](S)S1 T72832 [1,0,0,1,0,0|2,0,0]=4 142 B7R1.2 O=C1C[C@H](S)CN1 39278 [1,0,0,1,0,0|1,0,0]=3 143 B7R1.3 C=C1CCNCC1 33821 [1,0,0,1,0,0|2,0,0]=4 144 B7R1.3 ClC1=CCCCC1 FD10699 [1,0,0,1,0,0|2,0,0]=4 145 B7R1.3 O=S1CCOCC1 A51207 [1,0,0,1,0,0|1,1,0]=4 146 B7R1.3 S=C1CCCCC1 N16924 [1,0,0,1,0,0|1,1,0]=4 147 B7R1.4 C[C@H]1CCNC1=O C74322 [1,0,0,1,0,0|1,0,0]=3 148 B7R1.4 C[C@H]1CNCC1=O F13737 [1,0,0,1,0,0|2,0,0]=4 149 B7R1.4 C[C@H]1COCC1=O AT13358 [1,0,0,1,0,0|2,0,0]=4 150 B7R1.4 N[C@H]1CCOC1=O S11138 [1,0,0,1,0,0|1,0,0]=3 151 B7R1.8 N#C[C@H]1CCC1=O 98576 [1,0,0,1,0,0|1,0,1]=4 152 B7R1.21 CCOC1(Br)CC1 F53374 [1,0,0,1,0,0|1,0,1]=4 153 B7R1.21 CCOC1(N)CC1 AT19095 [1,0,0,1,0,0|1,0,1]=4 154 B7R1.22 CCC(=O)C1CC1 P11281 [1,0,0,1,0,0|1,0,0]=3 155 B7R1.22 NCC(=O)C1CC1 C77542 [1,0,0,1,0,0|2,0,0]=4 156 B7R1.24 C1=CCCNCC1 C13802 [1,0,0,1,0,0|2,0,0]=4 157 B7R1.24 C1CNCCSC1 W16417 [1,0,0,1,0,0|1,0,1]=4 158 B9R1.2 CC[C@H]1CC(=O)CCN1 S10989 [0,1,0,1,0,0|2,0,0]=4 159 B9R1.12 C=CCCC1=NCCO1 AC8910 [0,1,0,1,0,0|2,0,0]=4 160 B9R1.15 CCN1CCCNC1=O AT26678 [0,1,0,1,0,0|2,0,0]=4 161 B9R1.15 CC[C@H]1CNCCC1=O O11002 [0,1,0,1,0,0|2,0,0]=4 162 B9R1.15 O=C1CCCC[C@@H]1CO F18113 [0,1,0,1,0,0|1,1,0]=4 163 B9R1.33 C#CCN1CCOC1=O D75631 [0,1,0,1,0,0|1,0,1]=4 164 B9R1.33 COC[C@H]1CCNC1=O AT19084 [0,1,0,1,0,0|1,1,0]=4 165 B9R1.33 O=C1NCC[C@@H]1CCO AT19068 [0,1,0,1,0,0|1,1,0]=4 166 B9R1.33 O=C1OCCN1CCBr AT18747 [0,1,0,1,0,0|1,0,0]=3 167 B9R1.49 O=C1CCNC(=O)CC1 C91705 [0,1,0,1,0,0|1,1,0]=4 168 B9R1.69 CN1CC[C@H](N)CC1=O P10312 [0,1,0,1,0,0|2,0,0]=4 169 B9R1.69 O=C1C[C@@H](O)[C@@H](O)CN1 81439 [0,1,0,1,0,0|1,1,0]=4 170 B9R1.73 CCOC(=O)C1CSC1 F18444 [0,1,0,1,0,0|0,0,0]=2 171 B9R1.73 CCOC(=O)[C@@H]1CCN1 C16350 [0,1,0,1,0,0|1,0,0]=3 172 B9R1.73 CCOC(=O)[C@@H]1CCN1 D87602 [0,1,0,1,0,0|1,0,0]=3 173 B9R1.5 CN1CCNCCC1=O AT20060 [0,1,0,1,0,0|2,0,0]=4 174 B9R1.5 N[C@H]1CSCCNC1=O C16734 [0,1,0,1,0,0|1,0,0]=3 175 B9R1.5 O=C1CCCCC[C@@H]1Br AT20921 [0,1,0,1,0,0|2,0,0]=4 176 B9R1.5 O=C1CCCCC[C@@H]1Cl T71318 [0,1,0,1,0,0|2,0,0]=4 177 B9R1.5 O=C1CCNCC[C@@H]1Br C90706 [0,1,0,1,0,0|2,0,0]=4 178 B9R1.5 O=C1NCCCC[C@@H]1Br F50955 [0,1,0,1,0,0|2,0,0]=4 179 B9R1.37 CC1C(O)CC(=O)N1C AT19118 [0,1,0,1,0,0|1,1,0]=4 180 B9R1.74 CCOC(=O)C1(Cl)CC1 96432 [0,1,0,1,0,0|1,0,0]=3 181 B9R1.202 C[C@]1(CO)CCNC1=O AT19085 [0,1,0,1,0,0|1,1,0]=4 182 B9R1.34 CC1CC(=O)CC(C)N1 F12422 [0,1,0,1,0,0|2,0,0]=4 183 B9R1.34 CC1CC(=O)CC(C)S1 89934 [0,1,0,1,0,0|1,0,0]=3 184 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 S11085 [0,1,0,1,0,0|2,0,0]=4 185 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 P14538 [0,1,0,1,0,0|1,1,0]=4 186 B9R1.41 CC(C)[C@@H]1CCNC1=O D72753 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.66 CC1(C)CC(=O)CCS1 89936 [0,1,0,1,0,0|1,0,0]=3 188 B9R1.66 O=C1CC(F)(F)CCN1 P21020 [0,1,0,1,0,0|2,0,0]=4 189 B9R1.109 CCOS(=O)(=O)C1CC1 S11650 [0,1,0,1,0,0|2,0,0]=4 190 B9R2.39 O=C1OC2CCC1C2 P17974 [0,0,0,2,0,0|1,0,0]=3 191 B9R2.7 O=C1N[C@H]2CCC[C@@H]12 F12974 [0,0,0,2,0,0|2,0,0]=4 192 B9R2.5 O=C1OCCC12CC2 33775 [0,0,0,2,0,0|1,0,0]=3