0 B11R1.25 C1CC(OC1)CNC(=O)CCl TS14100 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.25 C1CC(OC1)CNC(=S)NN TS46001 [0,0,0,0,0,0|3,1,0]=4 2 B11R1.25 C=CC(=O)OCC1CCCO1 TS10674 [0,0,0,0,0,0|0,0,2]=2 3 B11R1.25 CCC(=O)OCC1CCCO1 TS41888 [0,0,0,0,0,0|0,0,0]=0 4 B11R1.25 CCC(=O)OCc1ccco1 TS41356 [0,0,0,0,0,0|0,0,4]=4 5 B10R1.21 CCCCCC1CCCC1 TS37439 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.21 CCCCCC1CCCC1 TS82003 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.21 CCCCOC1CCCO1 TS06978 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.66 C1CC(OC1)CNC(=S)N TS11303 [1,0,0,0,0,0|2,1,0]=4 9 B10R1.66 C1CCC(C1)CCC(=O)Cl TS11340 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.66 C1CCC(C1)CCC(=O)O TS37610 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.66 C1COC(O1)CCC(=O)O TS07160 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.66 CC(=O)OCC1CCCO1 TS06945 [1,0,0,0,0,0|0,0,0]=1 13 B12R1.51 CCCC(=O)OCC1CCCO1 TS13186 [0,1,0,0,0,0|0,0,0]=1 14 B12R1.51 CCOC(=O)CCC1CCNC1 TS13030 [0,1,0,0,0,0|3,0,0]=4 15 B12R1.264 CC(=C)C(=O)OCC1CCCO1 TS12807 [0,1,0,0,0,0|0,0,1]=2 16 B10R0.45 CCC(CC)COC(=O)C=C TS41646 [0,0,1,0,0,0|1,0,2]=4 17 B10R0.74 CCC=CCCOC(=O)CC TS41648 [0,0,1,0,0,0|1,0,1]=3 18 B10R0.74 CCCC=CCOC(=O)CC TS10723 [0,0,1,0,0,0|1,0,1]=3 19 B10R0.74 CCCCCCCC(=O)CC TS41682 [0,0,1,0,0,0|2,0,0]=3 20 B10R0.74 CCCCCCCC(=O)OC TS01755 [0,0,1,0,0,0|3,0,0]=4 21 B10R0.74 CCCCCCOC(=O)C=C TS41638 [0,0,1,0,0,0|1,0,2]=4 22 B10R0.74 CCCCCCOC(=O)CC TS41939 [0,0,1,0,0,0|1,0,0]=2 23 B10R0.74 CCCCCCOC(=O)CN TS18152 [0,0,1,0,0,0|2,0,0]=3 24 B10R0.74 COC(=O)CCCCCCN TS11176 [0,0,1,0,0,0|3,0,0]=4 25 B10R0.74 COC(=O)CCCCCCN TS85142 [0,0,1,0,0,0|3,0,0]=4 26 B12R2.1175 C1CC2(CCC1=O)OCCO2 TS46813 [0,0,0,1,0,0|2,0,0]=3 27 B12R2.1858 CCC1CCC2(O1)CCCO2 TS41635 [0,0,0,1,0,0|1,0,2]=4 28 B10R1.27 C1CCC(C1)NC(=O)CN TS37620 [0,0,0,0,1,0|3,0,0]=4 29 B10R1.27 C=CC(=O)OC1CCCC1 TS06476 [0,0,0,0,1,0|1,0,2]=4 30 B10R1.27 COC(=O)C=C1CCCO1 TS06661 [0,0,0,0,1,0|1,0,2]=4 31 B10R1.27 COC(=O)CC1CCNC1 TS40088 [0,0,0,0,1,0|3,0,0]=4 32 B12R1.27 COC(=O)CCC1CCCCC1 TS45157 [0,0,0,0,0,1|3,0,0]=4 33 B12R1.27 COC(=O)CCC1CNCCN1 TS02884 [0,0,0,0,0,1|3,0,0]=4 34 B12R1.27 COC(=O)CCC1COCCN1 TS13342 [0,0,0,0,0,1|3,0,0]=4 35 B9R0.24 C(C(COC(=O)CS)O)O TS43089 [1,0,1,0,0,0|2,0,0]=4 36 B9R0.24 CCC(C)COC(=O)CC TS40204 [1,0,1,0,0,0|0,0,0]=2 37 B9R0.43 CCC(CC)COC(=O)C TS40199 [1,0,1,0,0,0|1,0,0]=3 38 B9R0.2 C(CCCO)CCC(=O)O TS55677 [1,0,1,0,0,0|2,0,0]=4 39 B9R0.2 CC(=O)OCCCCC=C TS06720 [1,0,1,0,0,0|1,0,1]=4 40 B9R0.2 CC(=O)OCCCCCBr TS20687 [1,0,1,0,0,0|1,0,0]=3 41 B9R0.2 CC(=O)OCCCCCCl TS11956 [1,0,1,0,0,0|1,0,0]=3 42 B9R0.2 CC(=O)OCCOCC#C TS37557 [1,0,1,0,0,0|0,0,2]=4 43 B9R0.2 CCC=CCCOC(=O)C TS37598 [1,0,1,0,0,0|1,0,1]=4 44 B9R0.2 CCCC=CCOC(=O)C TS37605 [1,0,1,0,0,0|1,0,1]=4 45 B9R0.2 CCCCCCCC(=O)C TS06758 [1,0,1,0,0,0|2,0,0]=4 46 B9R0.2 CCCCCCOC(=O)C TS40201 [1,0,1,0,0,0|1,0,0]=3 47 B9R0.2 CCCCCCOC(=O)Cl TS11953 [1,0,1,0,0,0|2,0,0]=4 48 B9R0.45 CCC=CCCCCCO TS06747 [1,0,1,0,0,0|1,0,0]=3 49 B9R0.45 CCCCCCC=CCC TS06528 [1,0,1,0,0,0|2,0,0]=4 50 B9R0.45 CCCCCCC=CCC TS06538 [1,0,1,0,0,0|2,0,0]=4 51 B9R0.45 CCCCCCCCCO TS07020 [1,0,1,0,0,0|1,0,1]=4 52 B9R0.46 CCCCCCC(=O)CC TS06757 [1,0,1,0,0,0|1,0,0]=3 53 B9R0.46 CCCCCCC(=O)OC TS06976 [1,0,1,0,0,0|2,0,0]=4 54 B9R0.46 CCCCCOC(=O)C=C TS06719 [1,0,1,0,0,0|0,0,2]=4 55 B9R0.46 CCCCCOC(=O)CC TS06970 [1,0,1,0,0,0|0,0,0]=2 56 B9R0.46 CCCCCOC(=O)CN TS48166 [1,0,1,0,0,0|1,0,0]=3 57 B9R0.46 CCOCCOC(=O)C=C TS33054 [1,0,1,0,0,0|0,0,2]=4 58 B9R0.46 CCOCCOC(=O)CCl TS65037 [1,0,1,0,0,0|1,0,0]=3 59 B9R0.46 CC[C@H](C)CCCCCO TS40233 [1,0,1,0,0,0|1,0,1]=4 60 B9R0.46 COC(=O)CCCCCBr TS20689 [1,0,1,0,0,0|2,0,0]=4 61 B9R0.46 COC(=O)CCCCCN TS48164 [1,0,1,0,0,0|2,0,0]=4 62 B9R0.46 COC(=O)CCCCCO TS40427 [1,0,1,0,0,0|1,0,0]=3 63 B9R0.5 CCCCCC(CCC)O TS40239 [1,0,1,0,0,0|1,0,1]=4 64 B9R0.48 CCCC(C)CCC(=O)C TS37638 [1,0,1,0,0,0|2,0,0]=4 65 B9R0.48 CCCC(C)COC(=O)C TS40203 [1,0,1,0,0,0|1,0,0]=3 66 B9R1.12 CCC=CC1CCCC1 TS05058 [2,0,0,0,0,0|1,0,1]=4 67 B9R1.12 CCCCC1CCCC1 TS36178 [2,0,0,0,0,0|1,0,1]=4 68 B9R1.12 CCCCC1CCCC1 TS61460 [2,0,0,0,0,0|1,0,1]=4 69 B9R1.12 CCCCC1CCCC1 TS66426 [2,0,0,0,0,0|1,0,1]=4 70 B9R1.12 CCCCC1CCCC1 TS71915 [2,0,0,0,0,0|1,0,1]=4 71 B9R1.12 CCCCC1CCCC1 TS81233 [2,0,0,0,0,0|1,0,1]=4 72 B9R1.12 CCCCC1CCCC1 TS81832 [2,0,0,0,0,0|1,0,1]=4 73 B9R1.12 CCCCC1CCCC1 TS83585 [2,0,0,0,0,0|1,0,1]=4 74 B9R1.12 CCOCC1CCCO1 TS36503 [2,0,0,0,0,0|0,0,0]=2 75 B9R1.12 [2H]COC[C@@H]1CCCN1 TS32170 [2,0,0,0,0,0|2,0,0]=4 76 B11R0.9 CCC(CC)COC(=O)CC#N TS45027 [0,1,1,0,0,0|1,0,1]=4 77 B11R0.21 CCC(CC)COC(=O)C(=C)C TS12841 [0,1,1,0,0,0|1,0,1]=4 78 B11R0.4 CCCC(=O)OCCC=CCC TS12852 [0,1,1,0,0,0|1,0,1]=4 79 B11R0.4 CCCC=CCOC(=O)CCC TS45154 [0,1,1,0,0,0|1,0,1]=4 80 B11R0.4 CCCCCCCC(=O)OCC TS45501 [0,1,1,0,0,0|2,0,0]=4 81 B11R0.4 CCCCCCOC(=O)CCC TS45526 [0,1,1,0,0,0|1,0,0]=3 82 B11R0.4 CCOC(=O)CCCCCCBr TS26009 [0,1,1,0,0,0|2,0,0]=4 83 B11R0.4 CCOC(=O)CCCCCCN TS20825 [0,1,1,0,0,0|2,0,0]=4 84 B11R0.4 CCOC(=O)CCCCCCN TS45672 [0,1,1,0,0,0|2,0,0]=4 85 B11R0.40 CCCCCCCCC(=O)CC TS12886 [0,1,1,0,0,0|2,0,0]=4 86 B11R0.40 CCCCOCCOC(=O)C=C TS13179 [0,1,1,0,0,0|0,0,2]=4 87 B11R0.40 COCCOCCOC(=O)C=C TS45750 [0,1,1,0,0,0|0,0,2]=4 88 B11R0.42 CC(=C)C(=O)OCCOCCO TS45768 [0,1,1,0,0,0|1,0,1]=4 89 B11R0.42 CCC=CCCOC(=O)C(C)C TS45172 [0,1,1,0,0,0|1,0,1]=4 90 B11R0.42 CCC=CCCOC(=O)C(C)O TS13178 [0,1,1,0,0,0|1,0,1]=4 91 B11R0.42 CCCCCCOC(=O)C(=C)C TS12846 [0,1,1,0,0,0|1,0,1]=4 92 B11R0.42 CCCCCCOC(=O)C(C)C TS45507 [0,1,1,0,0,0|1,0,0]=3 93 B11R1.30 CCOC(=O)CC1CCCO1 TS10985 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.31 COC(=O)[C@H](C1CCCC1)N TS17750 [0,1,0,0,1,0|2,0,0]=4 95 B13R1.42 CCOC(=O)CCC1COCCN1 TS50564 [0,1,0,0,0,1|2,0,0]=4 96 B13R1.33 CCOC(=O)CC(=O)C1CCCO1 TS48870 [0,2,0,0,0,0|1,0,1]=4 97 B11R1.1 CCCCC1CCC(=O)CC1 TS10476 [0,0,1,1,0,0|2,0,0]=4 98 B11R1.40 C1CCC(CC1)OC(=O)CCl TS46197 [0,0,1,1,0,0|2,0,0]=4 99 B11R1.40 CCC(=O)OC1CCCCC1 TS41643 [0,0,1,1,0,0|1,0,0]=3 100 B11R1.40 CCC(=O)OC1CCNCC1 TS17748 [0,0,1,1,0,0|2,0,0]=4 101 B11R1.101 C1CCCCC(=O)CCCC1 TS59759 [0,0,1,1,0,0|2,0,0]=4 102 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)O1 TS10952 [0,0,1,1,0,0|1,0,1]=4 103 B11R2.2 C1CCC(C1)C2CCC=C2 TS06126 [1,0,0,1,0,0|2,0,0]=4 104 B11R2.1261 C1CC2(CCCO2)CNC1 TS87515 [1,0,0,1,0,0|1,0,1]=4 105 B11R2.1261 C1CC2(CCNCC2)OC1 TS89313 [1,0,0,1,0,0|2,0,0]=4 106 B13R2.32 CC1C2CCCCC2CCC1=O TS12291 [0,0,0,1,0,1|2,0,0]=4 107 B13R2.12 C1CCC(C1)N2CCC(=O)CC2 TS12426 [0,0,0,1,0,1|2,0,0]=4 108 B13R3.102 C1CC2C(C1)C3CC2CC3=O TS40920 [0,0,0,2,0,0|2,0,0]=4 109 B9R0.34 CCC(=O)CC(=O)OCC TS01475 [0,0,1,0,1,0|1,0,1]=4 110 B9R0.34 CCC(=O)OC(C)COC TS40422 [0,0,1,0,1,0|2,0,0]=4 111 B9R0.34 CCCC(CC(=O)OC)O TS40426 [0,0,1,0,1,0|1,0,0]=3 112 B9R1.13 C1CCC(C1)CC(=O)Cl TS07289 [1,0,0,0,1,0|2,0,0]=4 113 B9R1.13 C1CCC(C1)CC(=O)O TS27085 [1,0,0,0,1,0|2,0,0]=4 114 B9R1.13 C1CCC(C1)OC(=O)Cl TS16795 [1,0,0,0,1,0|2,0,0]=4 115 B9R1.13 C1C[C@@H](NC1)CC(=O)O TS91258 [1,0,0,0,1,0|2,0,0]=4 116 B9R1.13 C1C[C@H](NC1)CC(=O)O TS36411 [1,0,0,0,1,0|2,0,0]=4 117 B9R1.13 CC(=O)CC1CCC=C1 TS36006 [1,0,0,0,1,0|1,0,1]=4 118 B9R1.13 CC(=O)CC1CCCC1 TS05185 [1,0,0,0,1,0|1,0,0]=3 119 B9R1.11 C1CC(OC1)C(=O)NN TS36475 [0,0,0,0,2,0|2,0,0]=4 120 B9R1.11 CNC(=O)[C@@H]1CCCN1 TS11964 [0,0,0,0,2,0|2,0,0]=4 121 B9R1.11 COC(=O)C1CCCC1 TS05351 [0,0,0,0,2,0|2,0,0]=4 122 B9R1.11 COC(=O)C1CCCN1 TS42981 [0,0,0,0,2,0|2,0,0]=4 123 B9R1.11 COC(=O)C1CCCO1 TS02300 [0,0,0,0,2,0|1,0,0]=3 124 B9R1.11 COC(=O)[C@@H]1CCCN1 TS42969 [0,0,0,0,2,0|2,0,0]=4 125 B9R1.11 COC(=O)[C@H]1CCCN1 TS42971 [0,0,0,0,2,0|2,0,0]=4 126 B9R1.79 C1CC(C1)NC(=O)CN TS08961 [0,0,0,0,2,0|2,0,0]=4 127 B9R1.79 COC(=O)CC1CCC1 TS36295 [0,0,0,0,2,0|1,0,0]=3 128 B9R1.79 COC(=O)CC1CNC1 TS91760 [0,0,0,0,2,0|2,0,0]=4 129 B9R1.79 COC(=O)CC1COC1 TS85849 [0,0,0,0,2,0|2,0,0]=4 130 B9R1.80 C=CC(=O)OCC1CO1 TS47171 [0,0,0,0,2,0|0,0,2]=4