0 B6R0.6 CCCCCCN C08306 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.6 CCCCOC=O C21713 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.6 CCC\C=C\C=O C08497 [0,0,0,0,0,0|0,0,2]=2 3 B6R0.6 CC\C=C/CC=O C16310 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.6 CC\C=C/CCO C08492 [0,0,0,0,0,0|0,0,2]=2 5 B6R0.6 CNCCCCN C02723 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.6 C\C=C\C=C\C=O C19249 [0,0,0,0,0,0|0,0,4]=4 7 B6R0.6 ClCCNCCCl C16552 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.6 ClCCOCCCl C14688 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.6 ClCCSCCCl C19164 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.6 NCCCCCN C01672 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.6 OCCNCCO C06772 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.6 OCCOCCO C14689 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.2 CCCCCC C11271 [1,0,0,0,0,0|0,0,2]=3 14 B5R0.2 CCCCCO C16834 [1,0,0,0,0,0|0,0,1]=2 15 B5R0.2 CCNNCC C19227 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.2 CCOCCO C14687 [1,0,0,0,0,0|1,0,1]=3 17 B5R0.2 CSCCCN C03354 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.2 ClC\C=C\CCl C19398 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.2 NCCCC=O C00555 [1,0,0,0,0,0|1,0,2]=4 20 B5R0.2 NCCCC=O C02903 [1,0,0,0,0,0|1,0,2]=4 21 B5R0.2 NCCCCN C00134 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.2 NCCCCN C02896 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.2 OCC#CCO C02497 [1,0,0,0,0,0|1,0,2]=4 24 B7R0.1 CCCCCCC=O C14390 [0,1,0,0,0,0|0,0,3]=4 25 B7R0.1 CCCCCCCC C01387 [0,1,0,0,0,0|1,0,2]=4 26 B7R0.1 CCCCOCCO C19355 [0,1,0,0,0,0|0,0,2]=3 27 B7R0.1 CCCSSCCC C08373 [0,1,0,0,0,0|2,0,1]=4 28 B7R0.1 CSCCC\C=N\O C17241 [0,1,0,0,0,0|1,0,1]=3 29 B7R0.1 CSCCC\C=N\O C21535 [0,1,0,0,0,0|1,0,1]=3 30 B7R0.1 NCCCNCCS C07651 [0,1,0,0,0,0|1,1,1]=4 31 B7R0.4 CCCCCC(=O)O C01585 [0,1,0,0,0,0|0,0,3]=4 32 B7R0.7 CCNC(=S)NCC C19400 [0,1,0,0,0,0|3,0,0]=4 33 B7R1.1 OCC1=CC=CO1 C20441 [0,0,0,1,0,0|1,0,2]=4 34 B7R1.1 OCC1=CN=CN1 C05562 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.3 NC1CCCCC1 C00571 [0,0,0,1,0,0|1,0,2]=4 36 B7R1.3 O=C1C=CCCC1 C02395 [0,0,0,1,0,0|0,0,2]=3 37 B7R1.3 OC1CCCCC1 C00854 [0,0,0,1,0,0|0,0,2]=3 38 B4R0.2 C#CCCO C06146 [2,0,0,0,0,0|0,0,2]=4 39 B4R0.2 C=CCCN C12244 [2,0,0,0,0,0|1,0,0]=3 40 B4R0.2 CCC=S=O C08389 [2,0,0,0,0,0|1,0,1]=4 41 B4R0.2 CCCC=O C01412 [2,0,0,0,0,0|0,0,1]=3 42 B4R0.2 CCCCO C06142 [2,0,0,0,0,0|0,0,0]=2 43 B4R0.2 CCOCC C13240 [2,0,0,0,0,0|1,0,1]=4 44 B4R0.2 CCSCC C02272 [2,0,0,0,0,0|1,0,1]=4 45 B4R0.2 C\C=C\C=O C19377 [2,0,0,0,0,0|0,0,2]=4 46 B4R0.2 Cl\C=C/CCl C06610 [2,0,0,0,0,0|2,0,0]=4 47 B4R0.2 Cl\C=C\CCl C06609 [2,0,0,0,0,0|2,0,0]=4 48 B4R0.2 Cl\C=C\CCl C18627 [2,0,0,0,0,0|2,0,0]=4 49 B4R0.2 NCCC=O C05665 [2,0,0,0,0,0|1,0,1]=4 50 B4R0.2 NCCCN C00986 [2,0,0,0,0,0|2,0,0]=4 51 B4R0.2 O=CCCO C00969 [2,0,0,0,0,0|1,0,1]=4 52 B4R0.2 OCCCO C02457 [2,0,0,0,0,0|1,0,0]=3 53 B4R0.2 OC\C=C/Cl C06612 [2,0,0,0,0,0|1,0,0]=3 54 B4R0.2 OC\C=C\Cl C06611 [2,0,0,0,0,0|1,0,0]=3 55 B4R0.2 [*]CCC=O C00609 [2,0,0,0,0,0|1,0,1]=4 56 B6R0.1 C=CC(=O)OCC C19238 [1,1,0,0,0,0|1,0,1]=4 57 B6R0.1 CC[C@H](C)\C=N/O C20312 [1,1,0,0,0,0|1,0,0]=3 58 B6R0.1 CC[C@H](C)\C=N\O C19491 [1,1,0,0,0,0|1,0,0]=3 59 B6R0.1 COCC(=O)OC C14601 [1,1,0,0,0,0|2,0,0]=4 60 B6R0.1 [*]C\C=C(\C)C[*] C02321 [1,1,0,0,0,0|2,0,0]=4 61 B6R0.1 [*]OCC(=O)CO C02446 [1,1,0,0,0,0|2,0,0]=4 62 B6R0.1 [*]SC(=O)CCC C05745 [1,1,0,0,0,0|2,0,0]=4 63 B6R0.4 CC(=O)SCCN C03537 [1,1,0,0,0,0|2,0,0]=4 64 B6R0.4 CC(C)CCC=O C02373 [1,1,0,0,0,0|0,0,2]=4 65 B6R0.4 CC(C)C\C=N\O C17255 [1,1,0,0,0,0|1,0,0]=3 66 B6R0.4 CCCCC(=O)O C00803 [1,1,0,0,0,0|0,0,1]=3 67 B6R0.4 CCCCC(N)=O C01842 [1,1,0,0,0,0|0,0,2]=4 68 B6R0.4 CCCOC(N)=O C19514 [1,1,0,0,0,0|1,0,1]=4 69 B6R0.4 CCNCC(=O)O C11735 [1,1,0,0,0,0|1,0,1]=4 70 B6R0.4 CSCCC(=O)O C08276 [1,1,0,0,0,0|1,0,1]=4 71 B6R0.4 NCCCC(=O)O C00334 [1,1,0,0,0,0|1,0,1]=4 72 B6R0.4 O=C(O)CCCO C00989 [1,1,0,0,0,0|1,0,1]=4 73 B6R0.4 O=C(O)CCCO C01991 [1,1,0,0,0,0|1,0,1]=4 74 B6R0.4 O=C(O)CCCS C21736 [1,1,0,0,0,0|1,0,1]=4 75 B6R0.4 [*]CCNC(C)=O C15535 [1,1,0,0,0,0|2,0,0]=4 76 B8R0.4 CCCCCCCCO C00756 [0,2,0,0,0,0|0,0,2]=4 77 B8R0.4 CCCCC\C=C\C=O C21138 [0,2,0,0,0,0|0,0,2]=4 78 B8R0.4 CSCCCC\C=N\O C17245 [0,2,0,0,0,0|1,0,1]=4 79 B8R0.6 C=CC(O)CCCCC C14272 [0,2,0,0,0,0|0,0,2]=4 80 B8R0.6 CCCCCC(=O)CC C17145 [0,2,0,0,0,0|1,0,1]=4 81 B8R0.6 CCCCCC(O)CC C17144 [0,2,0,0,0,0|0,0,2]=4 82 B8R0.6 CSCCC\C(S)=N\O C17243 [0,2,0,0,0,0|1,0,1]=4 83 B8R0.6 OCCCCC(O)CO C20334 [0,2,0,0,0,0|0,0,2]=4 84 B8R0.6 [*]SC(=O)\C=C\CCC C05748 [0,2,0,0,0,0|0,0,2]=4 85 B8R0.7 CCCCCCC(=O)O C17714 [0,2,0,0,0,0|0,0,2]=4 86 B8R0.7 CSCCC\C=[N+](\[O-])O C21538 [0,2,0,0,0,0|1,0,1]=4 87 B8R0.8 CCCCC(=O)C(=O)O C00902 [0,2,0,0,0,0|0,0,2]=4 88 B8R0.11 CCCCC(CC)CO C02498 [0,2,0,0,0,0|0,0,2]=4 89 B8R0.5 CCCC(=O)CC(=O)O C02122 [0,2,0,0,0,0|0,0,2]=4 90 B8R0.5 CCOC(=O)CC(C)C C12290 [0,2,0,0,0,0|2,0,0]=4 91 B8R0.5 CCOC(=O)C[C@@H](C)O C03499 [0,2,0,0,0,0|1,0,1]=4 92 B6R1.1 C1=CCN=CC1 C16933 [1,0,0,1,0,0|1,0,1]=4 93 B6R1.1 C1=NCCCC1 C06181 [1,0,0,1,0,0|1,0,0]=3 94 B6R1.1 C1CCCCC1 C11249 [1,0,0,1,0,0|0,0,2]=4 95 B6R1.1 C1CCNCC1 C01746 [1,0,0,1,0,0|1,0,1]=4 96 B6R1.1 C1COCCN1 C14452 [1,0,0,1,0,0|1,0,1]=4 97 B6R1.1 C1COCCO1 C14440 [1,0,0,1,0,0|1,0,1]=4 98 B6R1.2 CC1=NCCC1 C20808 [1,0,0,1,0,0|1,0,0]=3 99 B6R1.2 C[C@@H]1CCCN1 C20809 [1,0,0,1,0,0|1,0,1]=4 100 B6R1.2 C[N+]1=CCCC1 C06178 [1,0,0,1,0,0|1,0,0]=3 101 B6R1.2 O=C1C=CCO1 C17601 [1,0,0,1,0,0|1,0,1]=4 102 B6R1.2 O=C1CC=CO1 C17602 [1,0,0,1,0,0|1,0,1]=4 103 B6R1.2 O=C1CCCC1 C00557 [1,0,0,1,0,0|0,0,2]=4 104 B6R1.2 O=C1CCCO1 C01770 [1,0,0,1,0,0|1,0,1]=4 105 B6R1.2 OC1CCCC1 C02020 [1,0,0,1,0,0|0,0,1]=3 106 B6R1.3 OCCN1CC1 C19332 [1,0,0,1,0,0|1,0,1]=4 107 B8R1.2 C=CC1CC=CCC1 C19310 [0,1,0,1,0,0|1,0,1]=4 108 B8R1.5 O=C1CCCCC1O C01147 [0,1,0,1,0,0|0,0,1]=3 109 B8R1.5 O[C@@H]1C=CC=C[C@H]1O C04221 [0,1,0,1,0,0|0,0,2]=4 110 B8R1.5 O[C@@H]1CCCC[C@H]1O C03739 [0,1,0,1,0,0|0,0,2]=4 111 B8R1.5 O[C@H]1C=CC=C[C@H]1O C04091 [0,1,0,1,0,0|0,0,2]=4 112 B8R1.5 O[C@H]1CCCC[C@H]1O C12313 [0,1,0,1,0,0|0,0,2]=4 113 B8R1.22 O=C1CCCCCN1 C06593 [0,1,0,1,0,0|2,0,0]=4 114 B8R1.22 O=C1CCCCCO1 C01880 [0,1,0,1,0,0|2,0,0]=4 115 B8R1.4 C[C@H]1CC=CC(=O)O1 C08502 [0,1,0,1,0,0|0,0,1]=3 116 B8R1.4 O=C1CCCC(O)C1 C03228 [0,1,0,1,0,0|0,0,1]=3 117 B8R1.7 O=C(O)C1=NCCC1 C03564 [0,1,0,1,0,0|1,0,1]=4 118 B8R2.25 C1=CC2OC2C=C1 C01782 [0,0,0,2,0,0|0,0,2]=4