0 B12R1.32 CCC\C(I)=C/C1=CC=CC=C1 100551 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.28 CCC\C=C\C1=CC=CC=C1 100517 [1,0,0,0,0,0|1,0,1]=3 2 B11R1.28 C\C=C\C=C/C1=CC=CC=C1 100530 [1,0,0,0,0,0|1,0,2]=4 3 B11R1.40 CC\C(C)=C/C1=CC=CC=C1 100800 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.40 CC\C(I)=C/C1=CC=CC=C1 102669 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.40 COC(=S)NC1=CC=CC=C1 10045 [1,0,0,0,0,0|1,1,0]=3 6 B11R1.40 FCC(F)CC1=CC=CC=C1 102361 [1,0,0,0,0,0|2,0,1]=4 7 B13R1.47 CCOC(=O)C(=O)C1=CC=CN=C1 101982 [0,1,0,0,0,0|1,0,1]=3 8 B13R1.47 CC\C=C(/C)C(O)C1=CC=CC=C1 100562 [0,1,0,0,0,0|2,0,0]=3 9 B13R1.47 C\C(=C/CO)C(O)C1=CC=CC=C1 101097 [0,1,0,0,0,0|3,0,0]=4 10 B13R1.47 C\C(=C\CO)C(O)C1=CC=CC=C1 101114 [0,1,0,0,0,0|3,0,0]=4 11 B13R1.79 CCO\C(C=O)=C/C1=CC=CC=C1 100958 [0,1,0,0,0,0|0,0,1]=2 12 B13R1.348 CC(=O)\C=C(/C)CC1=CC=CC=C1 16782 [0,1,0,0,0,0|2,0,1]=4 13 B13R2.135 CCC1=C(C)NC2=CC=CC=C21 16096 [0,0,0,1,0,0|3,0,0]=4 14 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 14932 [0,0,0,1,0,0|2,0,1]=4 15 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 16347 [0,0,0,1,0,0|1,0,1]=3 16 B13R2.328 O=C1CC2=CC=CC=C2C(=S)N1 15841 [0,0,0,1,0,0|2,0,1]=4 17 B11R1.16 N#CCC(=O)C1=CC=CC=C1 502 [0,0,0,0,1,0|2,0,1]=4 18 B11R1.16 O=C(\C=C/[O-])C1=CC=CC=C1 12193 [0,0,0,0,1,0|2,0,1]=4 19 B11R1.16 O=C(\C=C/[O-])C1=CC=CC=C1 12194 [0,0,0,0,1,0|2,0,1]=4 20 B13R1.42 CCCC(=O)NNC1=CC=CC=C1 12167 [0,0,0,0,0,1|2,0,0]=3 21 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 102491 [0,0,0,0,0,1|0,0,0]=1 22 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 100971 [0,0,0,0,0,1|0,0,1]=2 23 B13R1.42 C\C=C\C(=O)NNC1=CC=CC=C1 12166 [0,0,0,0,0,1|2,0,1]=4 24 B13R1.42 O=C(\C=C\O)CCC1=CC=CC=C1 12207 [0,0,0,0,0,1|2,0,1]=4 25 B13R1.42 O=C(\C=C\[O-])CCC1=CC=CC=C1 12208 [0,0,0,0,0,1|2,0,1]=4 26 B10R0.71 C=C\C=C/C=C/CCCCC 100793 [1,0,1,0,0,0|1,0,1]=4 27 B10R1.17 CC\C=C\C1=CC=CC=C1 102672 [2,0,0,0,0,0|0,0,1]=3 28 B10R1.17 CO\C=C\C1=CC=CC=C1 103085 [2,0,0,0,0,0|0,0,1]=3 29 B10R1.18 CC(=O)CC1=CC=CC=C1 12126 [2,0,0,0,0,0|0,0,0]=2 30 B10R1.18 CC(=O)NC1=CC=CC=C1 20132 [2,0,0,0,0,0|1,0,0]=3 31 B10R1.18 N=C(N)CC1=CC=CC=C1 745 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.18 O=C(O)CC1=CC=CC=C1 12288 [2,0,0,0,0,0|0,0,0]=2 33 B10R1.18 O=C(O)CC1=CC=CC=C1 15735 [2,0,0,0,0,0|0,0,0]=2 34 B12R1.8 CCCC\C=C/C1=CC=CC=C1 100548 [1,1,0,0,0,0|1,0,1]=4 35 B12R1.8 CCC\C=C/CC1=CC=CC=C1 100559 [1,1,0,0,0,0|1,0,0]=3 36 B12R1.8 NCCCNCC1=CC=CC=C1 19997 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.27 CCC(O)\C=C\C1=CC=CC=C1 100526 [1,1,0,0,0,0|1,0,1]=4 38 B12R1.30 CCCCC(O)C1=CC=CC=C1 100952 [1,1,0,0,0,0|1,0,1]=4 39 B12R1.30 CC\C=C\C(O)C1=CC=CC=C1 100808 [1,1,0,0,0,0|1,0,0]=3 40 B12R1.30 OC\C=C/C(O)C1=CC=CC=C1 103123 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.30 OC\C=C\C(O)C1=CC=CC=C1 103122 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 544 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 102208 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 15432 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 523 [0,1,0,0,1,0|1,0,0]=3 46 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 15716 [0,1,0,0,1,0|0,0,0]=2 47 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 20898 [0,1,0,0,1,0|1,0,1]=4 48 B12R1.107 C\C(N)=C\C(=O)C1=CC=CC=C1 13294 [0,1,0,0,1,0|1,0,1]=4 49 B12R1.308 CCOC(=O)C1=C(C)C=CN=C1 15760 [0,1,0,0,1,0|1,0,0]=3 50 B14R1.29 COCC(=O)N[C@H](C)C1=CC=CC=C1 19208 [0,1,0,0,0,1|2,0,0]=4 51 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 17058 [0,1,0,0,0,1|1,0,0]=3 52 B14R1.598 CCOC(=O)\C=C\C1=CC=CC=C1N 10687 [0,1,0,0,0,1|0,0,1]=3 53 B14R1.6823 CCOC(=O)CC1=CC=C(N)C=C1N 11561 [0,2,0,0,0,0|0,0,0]=2 54 B14R1.6823 CCOC(=O)NC1=C(C)C=C(C)C=C1 15583 [0,2,0,0,0,0|1,0,0]=3 55 B14R1.34 O=C(NC1=CC(Cl)=CC=C1)OCCCl 19433 [0,2,0,0,0,0|1,0,0]=3 56 B14R1.158 CCO\C=C\C(=S)NC1=CC=CC=C1 101117 [0,2,0,0,0,0|1,1,0]=4 57 B14R1.510 CCOC(=O)C(C)(F)C1=CC=CC=C1 100862 [0,2,0,0,0,0|0,0,0]=2 58 B14R1.510 CCOC(=O)C(C)(O)C1=CC=CC=C1 100864 [0,2,0,0,0,0|0,0,0]=2 59 B14R1.433 CC(C)(C)SC(=O)CC1=CC=CC=C1 102218 [0,2,0,0,0,0|0,1,0]=3 60 B12R2.1 COC1=CCC2=CC=CC=C21 16665 [1,0,0,1,0,0|2,0,0]=4 61 B12R2.18 CC1=C(C)C2=CC=CC=C2C1 16651 [1,0,0,1,0,0|1,0,1]=4 62 B12R2.18 CN1C(=O)CC2=CC=CC=C21 18631 [1,0,0,1,0,0|1,0,0]=3 63 B12R2.24 CN1CCC2=CC=CC=C2C1 101931 [1,0,0,1,0,0|2,0,0]=4 64 B12R2.24 O=C1CC2=CC=CC=C2CO1 16340 [1,0,0,1,0,0|0,0,0]=2 65 B12R2.24 O=C1CSC2=CC=CC=C2N1 102677 [1,0,0,1,0,0|2,0,0]=4 66 B12R2.2028 CC1C=C(Cl)C2=CC=CC=C21 16666 [0,0,0,1,1,0|2,0,0]=4 67 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 16621 [0,0,0,1,1,0|1,0,0]=3 68 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 13758 [0,0,0,1,1,0|1,0,1]=4 69 B12R2.2028 O=C1OC(Cl)C2=CC=CC=C12 16304 [0,0,0,1,1,0|1,0,0]=3 70 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 22222 [0,0,0,1,1,0|1,0,0]=3 71 B14R2.15 CCC1C(=O)NC1C2=CC=CC=C2 18222 [0,0,0,1,0,1|1,0,0]=3 72 B14R2.24 O=C1CCCCC1C2=CC=CC=C2 16561 [0,1,0,1,0,0|1,0,0]=3 73 B14R3.48 C1=CC=C2C(=C1)CC23OCCO3 16436 [0,0,0,2,0,0|0,0,2]=4 74 B10R1.15 C#CC(=O)C1=CC=CC=C1 20316 [1,0,0,0,1,0|0,0,2]=4 75 B10R1.15 CNC(=O)C1=CC=CC=C1 20760 [1,0,0,0,1,0|1,0,0]=3 76 B10R1.15 C\C=C(\C)C1=CC=CC=C1 103072 [1,0,0,0,1,0|1,0,1]=4 77 B10R1.15 O=C(CBr)C1=CC=CC=C1 18427 [1,0,0,0,1,0|1,0,0]=3