0 B9R0.5 CCOC(=O)CCCC#N 84960 [0,0,0,0,0,0|1,0,3]=4 1 B9R0.5 CCOC(=O)CCCC=O N10598 [0,0,0,0,0,0|1,0,3]=4 2 B9R0.5 CCOC(=O)CCCCN 23836 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.5 CCOC(=O)\C=C\CCBr I11241 [0,0,0,0,0,0|1,0,0]=1 4 B9R0.5 CCOC(=O)\C=C\CCO W16297 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.1 CCCC(=O)OCCO D81566 [1,0,0,0,0,0|3,0,0]=4 6 B8R0.1 CCNC(=O)NCCN AR2426 [1,0,0,0,0,0|3,0,0]=4 7 B8R0.1 CCOC(=O)CCC#N 82565 [1,0,0,0,0,0|1,0,2]=4 8 B8R0.1 CCOC(=O)CCC=O AB9300 [1,0,0,0,0,0|1,0,2]=4 9 B8R0.1 CCOC(=O)CCCO C91677 [1,0,0,0,0,0|1,0,1]=3 10 B8R0.6 CCCCCC(=O)CBr C73149 [1,0,0,0,0,0|1,0,2]=4 11 B8R0.6 COC(=O)COCCO D84694 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.6 COC\C=C\C(=O)OC P17071 [1,0,0,0,0,0|1,0,0]=2 13 B10R0.1 CCCC(=O)OCCCSC 73858 [0,1,0,0,0,0|2,0,1]=4 14 B10R0.1 CCCCNCC(=O)OCC AB3730 [0,1,0,0,0,0|0,0,2]=3 15 B10R0.1 CCOC(=O)CNCCC#N AB7171 [0,1,0,0,0,0|1,0,2]=4 16 B10R0.1 CCOC(=O)CNCCC#N Y10514 [0,1,0,0,0,0|1,0,2]=4 17 B10R0.1 CCOC(=O)\C=C\CCCCl 58166 [0,1,0,0,0,0|0,0,0]=1 18 B10R0.2 CCOC(=O)\C=C(/C)OCC AC2253 [0,1,0,0,0,0|1,0,0]=2 19 B10R0.3 C=C(C)CCCC(=O)OCC C75004 [0,1,0,0,0,0|0,0,3]=4 20 B10R0.3 CCOC(=O)\C=C\CN(C)C D80188 [0,1,0,0,0,0|1,0,0]=2 21 B10R0.83 CCCCCC(=O)[C@@H](C)CC D84197 [0,1,0,0,0,0|1,0,2]=4 22 B10R0.91 CCCCNC(=O)OCCO D93331 [0,1,0,0,0,0|1,0,1]=3 23 B10R1.11 CCOC(=O)C1=CCCC1 71128 [0,0,0,1,0,0|0,0,0]=1 24 B10R1.11 CCOC(=O)C1=CNN=N1 25805 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.11 CCOC(=O)C1=CSN=N1 71070 [0,0,0,1,0,0|3,0,0]=4 26 B10R1.11 CCOC(=O)[C@H]1CCNC1 AC2254 [0,0,0,1,0,0|1,0,2]=4 27 B10R1.78 O=C1CCCCCCCC1 AC8766 [0,0,0,1,0,0|1,0,2]=4 28 B10R1.78 O=C1CCCCCCCN1 D74918 [0,0,0,1,0,0|1,0,2]=4 29 B10R1.135 CCOC(=O)C1CC1CO F13437 [0,0,0,1,0,0|1,0,2]=4 30 B10R1.135 CCOC(=O)[C@H]1C[C@H]1CO F50050 [0,0,0,1,0,0|1,0,2]=4 31 B10R1.137 CCOC(=O)CC1CNC1 D80644 [0,0,0,1,0,0|1,0,2]=4 32 B10R1.137 CCOC(=O)CC1COC1 82536 [0,0,0,1,0,0|1,0,2]=4 33 B10R1.138 CCOC(=O)\C=C\C1CC1 W10675 [0,0,0,1,0,0|0,0,0]=1 34 B7R0.3 CCC(=O)OCCO A11774 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.3 CNCCC(=O)OC AB11809 [2,0,0,0,0,0|1,0,1]=4 36 B7R0.3 COC(=O)CCCI F19766 [2,0,0,0,0,0|1,0,1]=4 37 B7R0.3 COC(=O)\C=C\CCl AT12623 [2,0,0,0,0,0|1,0,0]=3 38 B7R0.3 COC(=O)\C=C\CN AT20770 [2,0,0,0,0,0|1,0,0]=3 39 B7R0.7 C=C=CC(=O)OCC T71774 [2,0,0,0,0,0|0,0,2]=4 40 B7R0.7 CCNC(=O)CCCl Y14703 [2,0,0,0,0,0|2,0,0]=4 41 B7R0.7 CCNC(=O)CNC A12930 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.4 CCCOCC(=O)O AC1647 [2,0,0,0,0,0|1,0,1]=4 43 B7R0.4 C\C=C/C=C/C(=O)O D86563 [2,0,0,0,0,0|0,0,2]=4 44 B9R0.34 CCOC(=O)C[C@@H](C)CC D78451 [1,1,0,0,0,0|0,0,1]=3 45 B9R0.34 CCOC(=O)C[C@H](C)NC AC6615 [1,1,0,0,0,0|1,0,1]=4 46 B9R0.34 CCOC(=O)C[C@H](O)CCl 32733 [1,1,0,0,0,0|1,0,1]=4 47 B9R0.34 CCOC(=O)NC(=O)CCl D75421 [1,1,0,0,0,0|2,0,0]=4 48 B9R0.35 CCCN(N)C(=O)OCC W11062 [1,1,0,0,0,0|1,0,0]=3 49 B9R0.35 CCNC(=O)C(=O)OCC W18547 [1,1,0,0,0,0|1,0,0]=3 50 B9R0.35 CCOC(=O)C(=O)CC#N C75508 [1,1,0,0,0,0|1,0,1]=4 51 B9R0.48 C=C(C)CCC(=O)OCC A11234 [1,1,0,0,0,0|0,0,2]=4 52 B9R0.48 CCOC(=O)CC[C@H](C)Br C77584 [1,1,0,0,0,0|0,0,1]=3 53 B9R0.48 CCOC(=O)OCC(C)C A12452 [1,1,0,0,0,0|1,0,0]=3 54 B9R0.48 CCOC(=O)\C=C\B(O)O A51290 [1,1,0,0,0,0|2,0,0]=4 55 B9R0.48 CCOC(=O)\C=C\C(C)=O 71109 [1,1,0,0,0,0|0,0,1]=3 56 B9R0.1 COC(=O)\C=C\CN(C)C D70009 [1,1,0,0,0,0|1,0,0]=3 57 B11R0.4 CCOC(=O)CCCCCC=O N10484 [0,2,0,0,0,0|0,0,2]=4 58 B11R0.4 CCOC(=O)\C=C\CCCCCl 56157 [0,2,0,0,0,0|0,0,0]=2 59 B11R0.62 CCOC(=O)CNC(=O)OCC AB7203 [0,2,0,0,0,0|1,0,1]=4 60 B11R0.62 CCOC(=O)CSC(=S)OCC AR3749 [0,2,0,0,0,0|1,0,1]=4 61 B11R0.155 CCCCCC(=O)C(=O)OCC Y11380 [0,2,0,0,0,0|0,0,1]=3 62 B11R0.1 CCOC(=O)C[C@@H](O)CC(C)C D96336 [0,2,0,0,0,0|0,0,2]=4 63 B11R0.1 CCOC(=O)\C=C(/C)NC(C)=O O10151 [0,2,0,0,0,0|1,0,1]=4 64 B11R0.177 C=C(C(=O)OCC)C(=O)OCC 73875 [0,2,0,0,0,0|1,0,0]=3 65 B11R0.182 CCC[C@H](CC)CC(=O)OCC D93218 [0,2,0,0,0,0|0,0,2]=4 66 B11R0.43 CCOC(=O)C(=O)CC(=O)CC C10562 [0,2,0,0,0,0|0,0,2]=4 67 B11R0.140 CCCCOC(=O)OCCCC C75547 [0,2,0,0,0,0|1,0,1]=4 68 B9R1.2 CCC1=CC(=O)CCC1 A10067 [1,0,0,1,0,0|1,0,0]=3 69 B9R1.33 NCCN1CCOC1=O C13660 [1,0,0,1,0,0|2,0,0]=4 70 B9R1.48 C[C@H]1CCCCC(=O)N1 W19298 [1,0,0,1,0,0|1,0,1]=4 71 B9R1.50 O=C1NCCCCCN1 W17640 [1,0,0,1,0,0|2,0,0]=4 72 B9R1.73 CCOC(=N)C1CCC1 C13282 [1,0,0,1,0,0|1,0,1]=4 73 B9R1.11 COC(=O)C1=CCSC1 T71209 [1,0,0,1,0,0|1,0,0]=3 74 B9R1.11 COC(=O)[C@@H]1CCCN1 D82335 [1,0,0,1,0,0|1,0,1]=4 75 B9R1.79 COC(=O)CC1CCC1 20777 [1,0,0,1,0,0|0,0,2]=4 76 B9R1.80 COC(=O)C#CC1CC1 W15222 [1,0,0,1,0,0|0,0,2]=4 77 B9R1.80 COC(=O)\C=C\C1CC1 89072 [1,0,0,1,0,0|0,0,0]=2 78 B11R1.16 CCOC(=O)C1=CCNCC1 W10892 [0,1,0,1,0,0|0,0,0]=2 79 B11R1.16 CCOC(=O)C1=CNCCS1 D85953 [0,1,0,1,0,0|1,0,0]=3 80 B11R1.16 CCOC(=O)[C@@H]1CCCCO1 S11652 [0,1,0,1,0,0|0,0,2]=4 81 B11R1.16 CCOC(=O)[C@@H]1CNCCO1 31686 [0,1,0,1,0,0|1,0,1]=4 82 B11R1.16 CCOC(=O)[C@@H]1CNCCS1 32555 [0,1,0,1,0,0|1,0,1]=4 83 B11R1.16 CCOC(=O)[C@@H]1CSCCN1 66701 [0,1,0,1,0,0|1,0,1]=4 84 B11R1.30 CCOC(=O)C=C1CCCC1 95468 [0,1,0,1,0,0|0,0,0]=2 85 B11R1.30 CCOC(=O)CC1CCCC1 F11924 [0,1,0,1,0,0|0,0,2]=4 86 B11R1.30 CCOC(=O)C[C@H]1CCNC1 P12138 [0,1,0,1,0,0|0,0,2]=4 87 B11R1.199 CCOC(=O)C1=C(C)OC=N1 68172 [0,1,0,1,0,0|1,0,1]=4 88 B11R1.199 CCOC(=O)C1=C(C)SC=N1 68023 [0,1,0,1,0,0|1,0,1]=4 89 B11R1.199 CCOC(=O)C1CCCC1O 74882 [0,1,0,1,0,0|0,0,2]=4 90 B11R1.199 CCOC(=O)C1NCCC1N 60856 [0,1,0,1,0,0|1,0,1]=4 91 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N 30653 [0,1,0,1,0,0|0,0,2]=4 92 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N 31838 [0,1,0,1,0,0|0,0,2]=4 93 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N 31887 [0,1,0,1,0,0|0,0,2]=4 94 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N AC4201 [0,1,0,1,0,0|0,0,2]=4 95 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N C13819 [0,1,0,1,0,0|0,0,2]=4 96 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1O C74194 [0,1,0,1,0,0|0,0,2]=4 97 B11R1.199 CCOC(=O)[C@@H]1CCNC1=O 38525 [0,1,0,1,0,0|1,0,1]=4 98 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N AC6749 [0,1,0,1,0,0|0,0,2]=4 99 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N AT11251 [0,1,0,1,0,0|0,0,2]=4 100 B11R1.199 CCOC(=O)[C@H]1CNC[C@@H]1C F13023 [0,1,0,1,0,0|0,0,2]=4 101 B11R1.289 CCOC(=O)CCN1CCC1 F31220 [0,1,0,1,0,0|0,0,2]=4 102 B11R1.289 CCOC(=O)\C=C\C1CCC1 86249 [0,1,0,1,0,0|0,0,0]=2 103 B11R1.201 CCOC(=O)CC1CC(O)C1 38855 [0,1,0,1,0,0|0,0,2]=4 104 B11R1.840 CCOC(=O)CC1(F)CCC1 72955 [0,1,0,1,0,0|0,0,2]=4 105 B11R1.840 CCOC(=O)CC1(N)CCC1 F51920 [0,1,0,1,0,0|0,0,2]=4 106 B11R1.15 CCOC(=O)C1=CNC(C)=C1 D76379 [0,1,0,1,0,0|1,0,1]=4 107 B11R1.15 CCOC(=O)C1=CNC(C)=N1 D95741 [0,1,0,1,0,0|1,0,1]=4 108 B11R1.15 CCOC(=O)C1=NN(C)C=C1 O11735 [0,1,0,1,0,0|1,0,1]=4 109 B11R1.15 CCOC(=O)C1CCC(O)C1 C14287 [0,1,0,1,0,0|0,0,2]=4 110 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](C)CN1 FD7112 [0,1,0,1,0,0|1,0,1]=4 111 B11R1.349 CCOC(=O)C(C)=C1COC1 D78855 [0,1,0,1,0,0|1,0,0]=3 112 B11R1.349 CCOC(=O)[C@@H](Br)C1CCC1 P17194 [0,1,0,1,0,0|0,0,2]=4 113 B11R1.349 CCOC(=O)[C@@H](N)C1CCC1 F53581 [0,1,0,1,0,0|0,0,2]=4 114 B11R1.349 CCOC(=O)[C@@H](N)C1CCC1 F53672 [0,1,0,1,0,0|0,0,2]=4 115 B11R1.819 CCOC(=O)C1(Br)CCCC1 P16851 [0,1,0,1,0,0|0,0,2]=4 116 B11R1.819 CCOC(=O)C1(O)CCCC1 W18607 [0,1,0,1,0,0|0,0,2]=4 117 B11R1.280 CCC1OC(OC)C=CC1=O D93133 [0,1,0,1,0,0|2,0,0]=4 118 B11R2.202 O=C1OC(=O)C2=C1CCC2 E10149 [0,0,0,2,0,0|1,0,1]=4 119 B11R2.1 O=C1OCC2CCCCC12 D93790 [0,0,0,2,0,0|0,0,2]=4