0 B8R0.1 CCNC(=O)NCCO AT23087 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.1 CCOC(=O)NCCN AT13715 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.1 CCOC(=O)\C=C\CN 86087 [0,0,0,0,0,0|1,0,3]=4 3 B7R0.1 C=CCCCCCCl I11994 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.1 C=CCCCCCO F14745 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.1 C=CC\C=C\CCC T72633 [1,0,0,0,0,0|1,0,1]=3 6 B7R0.3 CCC(=O)OCOC D72002 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.3 CNOCC(=O)OC AT14517 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.3 COC(=N)CCCCl C76486 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.3 COC(=O)CCCN 32601 [1,0,0,0,0,0|1,0,1]=3 10 B7R0.3 COC(=O)NCCN AT13709 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.3 COC(=O)\C=C\C=O D90666 [1,0,0,0,0,0|1,0,2]=4 12 B7R0.7 C=CCC(=O)CC=C 89933 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.7 CCOC(=O)C=[N+]=[N-] D87242 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.7 CCOC(=O)CCN F19878 [1,0,0,0,0,0|1,0,0]=2 15 B7R0.7 CCOC(=O)\C=C\[O-] P10114 [1,0,0,0,0,0|1,0,1]=3 16 B7R0.7 CCSC(=O)OCI C77591 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.7 O=C(CCBr)CCBr 52047 [1,0,0,0,0,0|3,0,0]=4 18 B9R0.4 CCOCC(=O)OC(C)C 94622 [0,1,0,0,0,0|1,0,2]=4 19 B9R0.5 C#CCOCC(=O)OCC AT18918 [0,1,0,0,0,0|0,0,2]=3 20 B9R0.5 CCOC(=O)CCCNC AB10379 [0,1,0,0,0,0|0,0,2]=3 21 B9R0.5 CCOC(=O)CNCCN FD21627 [0,1,0,0,0,0|1,0,1]=3 22 B9R0.5 CCOC(=O)N\N=C\CCl F18063 [0,1,0,0,0,0|2,0,1]=4 23 B9R0.8 C=CCCC(=O)C(=O)OC D76611 [0,1,0,0,0,0|2,0,0]=3 24 B9R0.18 C=CCOC(=O)NCCO D74814 [0,1,0,0,0,0|2,0,0]=3 25 B9R0.34 C=C[C@@H](O)CC(=O)OCC AC6052 [0,1,0,0,0,0|0,0,0]=1 26 B9R0.34 CCOC(=O)C[C@H](O)CBr 11423 [0,1,0,0,0,0|1,0,1]=3 27 B9R0.34 CCOC(=O)C[C@H](O)CI CS2877 [0,1,0,0,0,0|1,0,1]=3 28 B9R1.12 C=CCCC1=NCCO1 AC8910 [0,0,0,1,0,0|1,0,0]=2 29 B9R1.15 CC[C@H]1CNCCC1=O O11002 [0,0,0,1,0,0|2,0,1]=4 30 B9R1.27 CCN1C(=O)CNC1=O AT20208 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.33 C#CCN1CCOC1=O D75631 [0,0,0,1,0,0|1,0,2]=4 32 B9R1.33 COC[C@H]1CCNC1=O AT19084 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.33 O=C1NCC[C@@H]1CCO AT19068 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.33 O=C1OCCN1CCBr AT18747 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.49 O=C1CCNC(=O)CC1 C91705 [0,0,0,1,0,0|2,0,0]=3 36 B9R1.73 CCOC(=O)C1CSC1 F18444 [0,0,0,1,0,0|1,0,1]=3 37 B9R1.73 CCOC(=O)[C@@H]1CCN1 C16350 [0,0,0,1,0,0|1,0,1]=3 38 B9R1.73 CCOC(=O)[C@@H]1CCN1 D87602 [0,0,0,1,0,0|1,0,1]=3 39 B6R0.6 CCOCCNN AC6859 [2,0,0,0,0,0|2,0,0]=4 40 B6R0.6 CCOCCON AT14482 [2,0,0,0,0,0|2,0,0]=4 41 B6R0.6 CCO\C=C\C=O F18326 [2,0,0,0,0,0|1,0,1]=4 42 B6R0.1 C=CCC(=O)NO C91025 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.1 CCNC(=O)OC C16084 [2,0,0,0,0,0|1,0,1]=4 44 B6R0.1 CCOC(=N)CCl AC8745 [2,0,0,0,0,0|2,0,0]=4 45 B6R0.1 CCOC(=S)SC AC9840 [2,0,0,0,0,0|1,1,0]=4 46 B6R0.1 COCC(=O)OC F53343 [2,0,0,0,0,0|1,0,1]=4 47 B6R0.4 C=C\C=C/C(=O)O C74528 [2,0,0,0,0,0|0,0,2]=4 48 B6R0.4 C=C\C=C\C(=O)O 35918 [2,0,0,0,0,0|0,0,2]=4 49 B6R0.4 NCCCC(=O)O T70552 [2,0,0,0,0,0|1,0,1]=4 50 B6R0.4 NOCCC(=O)O AT14539 [2,0,0,0,0,0|2,0,0]=4 51 B8R0.4 C=CCCNCCOC E72576 [1,1,0,0,0,0|2,0,0]=4 52 B8R0.3 C#CC[C@H](N)C(=O)OC AT23614 [1,1,0,0,0,0|0,0,2]=4 53 B8R0.3 C#CC[C@H](N)C(=O)OC AT23615 [1,1,0,0,0,0|0,0,2]=4 54 B8R0.3 C#CC[C@H](N)C(=O)OC AT23616 [1,1,0,0,0,0|0,0,2]=4 55 B8R0.3 C=CC[C@H](N)C(=O)OC 50495 [1,1,0,0,0,0|0,0,0]=2 56 B8R0.3 CCC[C@H](N)C(=O)OC F20626 [1,1,0,0,0,0|0,0,2]=4 57 B8R0.3 COC(=O)[C@H](C)NC=O FD21108 [1,1,0,0,0,0|2,0,0]=4 58 B8R0.3 COC[C@H](O)C(=O)OC AT24811 [1,1,0,0,0,0|1,0,1]=4 59 B8R0.8 CC(C)C(=O)CCC#N F51230 [1,1,0,0,0,0|1,0,1]=4 60 B8R0.8 CCCCC(=O)[C@H](C)N D78735 [1,1,0,0,0,0|0,0,2]=4 61 B8R0.9 [15NH2]CC(=O)CCC(=O)O D98679 [1,1,0,0,0,0|2,0,0]=4 62 B8R0.19 CC[C@H](N)CC(=O)OC F16995 [1,1,0,0,0,0|0,0,2]=4 63 B8R0.19 CC[C@H](O)CC(=O)OC C15994 [1,1,0,0,0,0|0,0,2]=4 64 B8R0.5 CC(C)OC(=O)CCS FD10479 [1,1,0,0,0,0|1,0,0]=3 65 B8R0.5 CC(C)OC(=O)OCI D73860 [1,1,0,0,0,0|2,0,0]=4 66 B8R0.5 CCCC(=O)CC(C)C T72726 [1,1,0,0,0,0|1,0,1]=4 67 B8R0.5 CCOC(=O)C[C@H](C)N H11544 [1,1,0,0,0,0|0,0,1]=3 68 B8R0.5 CCOC(=O)C[S+](C)C AT26589 [1,1,0,0,0,0|1,0,1]=4 69 B10R0.28 C#CCCC(=O)OC(C)(C)C D72235 [0,2,0,0,0,0|0,0,2]=4 70 B10R0.28 CNCCC(=O)OC(C)(C)C A50520 [0,2,0,0,0,0|1,0,1]=4 71 B10R0.32 CNC[C@H](N)C(=O)OC(C)C E70033 [0,2,0,0,0,0|1,0,1]=4 72 B10R0.1 CCOC(=O)CCCCCN 77390 [0,2,0,0,0,0|0,0,2]=4 73 B10R0.1 CCOC(=O)COCCCO S11911 [0,2,0,0,0,0|0,0,2]=4 74 B10R0.2 CCC[C@H](N)CC(=O)OCC N12292 [0,2,0,0,0,0|0,0,2]=4 75 B10R0.19 C=CCCC(=O)C(=O)OCC F51472 [0,2,0,0,0,0|0,0,0]=2 76 B10R0.19 C=CCC[C@H](N)C(=O)OCC AT23898 [0,2,0,0,0,0|0,0,0]=2 77 B10R0.19 C\C=C\C[C@H](C)C(=O)OCC W16076 [0,2,0,0,0,0|0,0,0]=2 78 B10R0.91 C=CCOC(=O)NCCCN F52013 [0,2,0,0,0,0|2,0,0]=4 79 B10R0.7 C=CC(C)(C)CC(=O)OCC 28251 [0,2,0,0,0,0|0,0,0]=2 80 B10R0.26 CCOC(=O)C[C@H](N)C(C)C F53416 [0,2,0,0,0,0|0,0,2]=4 81 B10R0.26 CCOC(=O)N[C@@H](C)C(=O)O 93835 [0,2,0,0,0,0|2,0,0]=4 82 B10R0.26 CCOC(=O)N[C@@H](C)C(=O)O 93836 [0,2,0,0,0,0|2,0,0]=4 83 B10R0.129 CCC[C@](C)(N)C(=O)OCC D78557 [0,2,0,0,0,0|0,0,2]=4 84 B10R0.109 CCOC(=O)CCS(=O)(=O)Cl AC2764 [0,2,0,0,0,0|2,0,0]=4 85 B10R0.109 [2H]C([2H])([2H])CCC(=O)OCC D98647 [0,2,0,0,0,0|1,0,1]=4 86 B8R1.8 C=CC[C@H]1CCCN1 N15483 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.1 C=C[C@@H]1COC(=O)C1 88424 [1,0,0,1,0,0|0,0,0]=2 88 B8R1.1 CC[C@H]1CCC(=O)C1 W18649 [1,0,0,1,0,0|0,0,2]=4 89 B8R1.1 CN[C@@H]1COC(=O)C1 P12585 [1,0,0,1,0,0|1,0,1]=4 90 B8R1.1 O=C1CC[C@H](CO)C1 D97067 [1,0,0,1,0,0|1,0,1]=4 91 B8R1.3 C=C1CCC(=O)CC1 57377 [1,0,0,1,0,0|0,0,0]=2 92 B8R1.3 O=C1CCC(Br)CC1 C77503 [1,0,0,1,0,0|1,0,1]=4 93 B8R1.3 O=C1COC(=O)CN1 P10244 [1,0,0,1,0,0|2,0,0]=4 94 B8R1.38 CCC(=O)C1CCC1 F53463 [1,0,0,1,0,0|0,0,2]=4 95 B8R1.38 COC(=O)[C@@H]1CCN1 P19136 [1,0,0,1,0,0|1,0,1]=4 96 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [1,0,0,1,0,0|2,0,0]=4 97 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [1,0,0,1,0,0|1,0,1]=4 98 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [1,0,0,1,0,0|1,0,1]=4 99 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.4 O=C1C[C@@H](F)CCN1 P19310 [1,0,0,1,0,0|2,0,0]=4 101 B8R1.18 CC1CC(=O)OC1C AC8330 [1,0,0,1,0,0|0,0,1]=3 102 B8R1.18 CC1CC(=O)OC1O S10278 [1,0,0,1,0,0|1,0,1]=4 103 B8R1.18 CC1NC(=O)CC1O 94943 [1,0,0,1,0,0|2,0,0]=4 104 B8R1.18 C[C@@H]1OC(=O)NC1=O D75118 [1,0,0,1,0,0|2,0,0]=4 105 B8R1.37 CCOC(=O)[C@@H]1CO1 A10023 [1,0,0,1,0,0|1,0,0]=3 106 B10R1.11 CCOC(=O)N1C=CCC1 C16232 [0,1,0,1,0,0|0,0,0]=2 107 B10R1.11 CCOC(=O)N1CC=CC1 C16247 [0,1,0,1,0,0|1,0,0]=3 108 B10R1.11 CCOC(=O)[C@@H]1CC=NN1 27528 [0,1,0,1,0,0|1,0,0]=3 109 B10R1.11 CCOC(=O)[C@@H]1CCCS1 98589 [0,1,0,1,0,0|0,0,2]=4 110 B10R1.11 CCOC(=O)[C@H]1CCNC1 AC7559 [0,1,0,1,0,0|0,0,2]=4 111 B10R1.11 CCOC(=O)[C@H]1CCSC1 W10963 [0,1,0,1,0,0|0,0,2]=4 112 B10R1.25 CCN1N=C[C@@H](I)CC1=O C15206 [0,1,0,1,0,0|2,0,0]=4 113 B10R1.29 CNCCN1CCOC1=O AT18746 [0,1,0,1,0,0|1,0,1]=4 114 B10R1.29 N#CCCN1CCOC1=O AT18742 [0,1,0,1,0,0|1,0,1]=4 115 B10R1.29 NCCCN1CCOC1=O AT18744 [0,1,0,1,0,0|1,0,1]=4 116 B10R1.29 O=C1OCCN1CCCO AT18745 [0,1,0,1,0,0|1,0,1]=4 117 B10R1.29 O=CCCN1CCOC1=O AT18743 [0,1,0,1,0,0|1,0,0]=3 118 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CO AT10667 [0,1,0,1,0,0|0,0,2]=4 119 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CO AT11298 [0,1,0,1,0,0|0,0,2]=4 120 B10R1.94 CCOC1=C(Br)C(=O)CC1 AC9169 [0,1,0,1,0,0|2,0,0]=4 121 B10R1.4 C=CC[C@H]1CCCOC1=O F13527 [0,1,0,1,0,0|0,0,0]=2 122 B10R1.140 CCOC(=O)C1CC(F)C1 C93311 [0,1,0,1,0,0|0,0,2]=4 123 B10R1.140 CCOC(=O)C1CC(I)C1 93588 [0,1,0,1,0,0|0,0,2]=4 124 B10R1.401 CCOC(=O)C1(C)COC1 C93315 [0,1,0,1,0,0|1,0,1]=4 125 B10R1.59 C[C@H]1OC(=O)N[C@@H]1C(=O)O 93924 [0,1,0,1,0,0|2,0,0]=4 126 B10R1.64 O=C(O)C[C@H]1CCNC1=O AT19070 [0,1,0,1,0,0|2,0,0]=4 127 B10R1.211 O=C(O)CCC(=O)C1CC1 C15943 [0,1,0,1,0,0|2,0,0]=4 128 B10R1.400 CCOC(=O)C1CC1(F)Cl CS3138 [0,1,0,1,0,0|1,0,1]=4 129 B10R2.320 O=C1NC2CC=CCC12 W18792 [0,0,0,2,0,0|1,0,0]=3 130 B10R2.60 O=C1CC2CC1CC2=O AC5793 [0,0,0,2,0,0|2,0,0]=4 131 B10R2.190 O=C1OCCC12CCC2 33776 [0,0,0,2,0,0|0,0,2]=4