0 B9R0.48 C=C(C)CCC(=O)OCC A11234 [0,0,0,0,0,0|0,0,2]=2 1 B9R0.48 CC(C)CNC(=O)CCN D86301 [0,0,0,0,0,0|3,0,0]=3 2 B9R0.48 CCOC(=O)CC[C@H](C)Br C77584 [0,0,0,0,0,0|1,0,0]=1 3 B9R0.48 CCOC(=O)CC[N+](=O)[O-] F11926 [0,0,0,0,0,0|3,0,0]=3 4 B9R0.48 CCOC(=O)NCC(=O)O D76651 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.48 CCOC(=O)OCC(C)C A12452 [0,0,0,0,0,0|1,0,0]=1 6 B9R0.48 CCOC(=O)\C=C\C(C)=O 71109 [0,0,0,0,0,0|1,0,3]=4 7 B8R0.1 CCCC(=O)OCCO D81566 [1,0,0,0,0,0|3,0,0]=4 8 B8R0.1 CCNC(=O)NCCN AR2426 [1,0,0,0,0,0|3,0,0]=4 9 B8R0.1 CCOC(=O)CCC#N 82565 [1,0,0,0,0,0|1,0,1]=3 10 B8R0.1 CCOC(=O)CCC=O AB9300 [1,0,0,0,0,0|1,0,1]=3 11 B8R0.1 CCOC(=O)CCCO C91677 [1,0,0,0,0,0|1,0,0]=2 12 B8R0.9 CC(C)CC\C(N)=N/O W10718 [1,0,0,0,0,0|3,0,0]=4 13 B8R0.9 CN(C)CCC(=O)NN AC8035 [1,0,0,0,0,0|3,0,0]=4 14 B10R0.108 CCCC(=O)OC[C@@H](O)CO A10828 [0,1,0,0,0,0|3,0,0]=4 15 B10R0.108 CCOC(=O)CCC(=O)CBr 79134 [0,1,0,0,0,0|1,0,1]=3 16 B10R0.108 CCOC(=O)CNC(=O)OC 74367 [0,1,0,0,0,0|2,0,1]=4 17 B10R0.108 CCOC(=O)NCC(=O)OC AB7223 [0,1,0,0,0,0|2,0,1]=4 18 B10R0.109 CCOC(=O)C#C[Si](C)(C)C D84547 [0,1,0,0,0,0|0,1,2]=4 19 B10R1.1 CCOC1CCC(N)CC1 AB9186 [0,0,0,1,0,0|2,0,1]=4 20 B10R1.30 CCN1C[C@H](C)NCC1=O W17551 [0,0,0,1,0,0|2,0,0]=3 21 B10R1.30 CCN1C[C@H](C)NCC1=O W17552 [0,0,0,1,0,0|2,0,0]=3 22 B10R1.63 CC1(C)CCC(=O)NC1=O AB22481 [0,0,0,1,0,0|2,0,1]=4 23 B10R1.71 O=C1CCC(=O)OCCO1 D93050 [0,0,0,1,0,0|2,0,1]=4 24 B10R1.138 CCOC(=O)\C=C\C1CC1 W10675 [0,0,0,1,0,0|0,0,2]=3 25 B10R1.140 CCOC(=O)C1CC(Br)C1 P17727 [0,0,0,1,0,0|1,0,0]=2 26 B10R1.140 CCOC(=O)C1CC(N)C1 87719 [0,0,0,1,0,0|1,0,0]=2 27 B10R1.140 CCOC(=O)[C@H]1C[C@@H](N)C1 C77307 [0,0,0,1,0,0|1,0,0]=2 28 B10R1.140 CCOC(=O)[C@H]1C[C@@H](O)C1 P11948 [0,0,0,1,0,0|1,0,0]=2 29 B10R1.302 CC1(C)CCNC(=O)CC1 W16051 [0,0,0,1,0,0|1,0,0]=2 30 B8R0.5 CCCC(=O)CC(C)=O 79568 [0,0,0,0,1,0|2,0,1]=4 31 B8R0.5 CCC[C@H](C)CC(C)C F17729 [0,0,0,0,1,0|2,0,1]=4 32 B8R0.5 CCOC(=O)CC(=O)[O-] C15698 [0,0,0,0,1,0|2,0,1]=4 33 B8R0.5 CCOC(=O)C[C@H](C)N H10190 [0,0,0,0,1,0|1,0,0]=2 34 B8R0.5 COCC(=O)OC(C)C C11794 [0,0,0,0,1,0|3,0,0]=4 35 B10R0.3 C=C(C)CCCC(=O)OCC C75004 [0,0,0,0,0,1|0,0,2]=3 36 B10R0.3 CCOC(=O)CCC[N+](=O)[O-] Y14690 [0,0,0,0,0,1|3,0,0]=4 37 B10R0.3 CCOC(=O)\C=C\CN(C)C D80188 [0,0,0,0,0,1|1,0,1]=3 38 B7R0.3 C#CCCC(=O)OC AT21755 [2,0,0,0,0,0|0,0,2]=4 39 B7R0.3 C=CCCC(=O)OC AT23749 [2,0,0,0,0,0|0,0,2]=4 40 B7R0.3 CCC(=O)OCCO A11774 [2,0,0,0,0,0|2,0,0]=4 41 B7R0.3 CNCCC(=O)OC AB11809 [2,0,0,0,0,0|1,0,0]=3 42 B7R0.3 COC(=O)CCCI F19766 [2,0,0,0,0,0|1,0,0]=3 43 B7R0.7 CCNC(=O)CCCl Y14703 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.7 CCNC(=O)CNC A12930 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.4 CC(C)CCCCBr C74820 [2,0,0,0,0,0|1,0,1]=4 46 B7R0.4 CCCNCC(C)C AC1640 [2,0,0,0,0,0|1,0,1]=4 47 B7R0.6 CC(=O)NNC(C)C F19849 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.6 CC(C)=CCC(=O)O 24307 [2,0,0,0,0,0|0,0,2]=4 49 B7R0.6 CC(C)CC[N+](=O)[O-] AC1797 [2,0,0,0,0,0|1,0,1]=4 50 B7R0.6 C[C@H](Cl)CCC(=O)Cl W17602 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.6 C[C@H](O)CCC(=O)[O-] AC8853 [2,0,0,0,0,0|1,0,1]=4 52 B7R0.6 C[S+](C)CCC(=O)O T70554 [2,0,0,0,0,0|1,0,0]=3 53 B9R0.5 CCOC(=O)CCCC#N 84960 [1,1,0,0,0,0|0,0,1]=3 54 B9R0.5 CCOC(=O)CCCC=O N10598 [1,1,0,0,0,0|0,0,1]=3 55 B9R0.5 CCOC(=O)CCCCN 23836 [1,1,0,0,0,0|0,0,0]=2 56 B9R0.5 CCOC(=O)\C=C\CCBr I11241 [1,1,0,0,0,0|0,0,2]=4 57 B9R0.5 CCOC(=O)\C=C\CCO W16297 [1,1,0,0,0,0|0,0,2]=4 58 B9R0.34 CCOC(=O)C[C@@H](C)CC D78451 [1,1,0,0,0,0|0,0,0]=2 59 B9R0.34 CCOC(=O)C[C@H](C)NC AC6615 [1,1,0,0,0,0|1,0,0]=3 60 B9R0.34 CCOC(=O)C[C@H](O)CCl 32733 [1,1,0,0,0,0|1,0,0]=3 61 B9R0.35 CCCN(N)C(=O)OCC W11062 [1,1,0,0,0,0|1,0,0]=3 62 B9R0.35 CCNC(=O)C(=O)OCC W18547 [1,1,0,0,0,0|1,0,1]=4 63 B9R0.66 CCOS(=O)(=O)CCCCl AB22521 [1,1,0,0,0,0|2,0,0]=4 64 B9R0.23 C=C(CC(C)C)C(=O)OC W19515 [1,1,0,0,0,0|0,0,1]=3 65 B9R0.23 COC(=O)C(=O)CC(C)C 29859 [1,1,0,0,0,0|0,0,1]=3 66 B9R0.23 COC(=O)[C@@H](O)CC(C)C C13521 [1,1,0,0,0,0|0,0,0]=2 67 B9R0.24 CCC(=O)CCC(=O)CC Y14693 [1,1,0,0,0,0|1,0,1]=4 68 B9R0.24 CCC(C)CCC(C)CO D93170 [1,1,0,0,0,0|1,0,1]=4 69 B9R0.24 COC(=O)CCC(=O)CBr D72688 [1,1,0,0,0,0|1,0,1]=4 70 B9R0.6 CCOC(=O)C(=O)[C@H](C)Br C10122 [0,1,0,0,1,0|1,0,1]=4 71 B9R0.44 CCOC(=O)CC(C)(C)O O11777 [0,1,0,0,1,0|0,0,0]=2 72 B9R0.53 CC(C)OC(=O)OC(C)C C76030 [0,1,0,0,1,0|1,0,0]=3 73 B9R0.53 CC(Cl)OC(=O)OC(C)Cl A10514 [0,1,0,0,1,0|2,0,0]=4 74 B11R0.1 CCOC(=O)C[C@@H](O)CC(C)C D96336 [0,1,0,0,0,1|0,0,0]=2 75 B11R0.54 CCOC(=O)C[C@H](N)C(F)(F)F 91659 [0,2,0,0,0,0|2,0,0]=4 76 B11R0.54 CCOC(=O)C[C@H](O)C(C)(C)C D86239 [0,2,0,0,0,0|0,0,0]=2 77 B11R0.186 CCOC(=O)C(=O)OC(C)(C)C P11041 [0,2,0,0,0,0|1,0,1]=4 78 B11R0.85 CC(=O)CCC(=O)OCC(C)C D93295 [0,2,0,0,0,0|1,0,1]=4 79 B11R0.85 CC(C)CCC(=O)CCN(C)C C71275 [0,2,0,0,0,0|1,0,0]=3 80 B11R0.85 CC(C)COC(=O)OCC(C)C D81477 [0,2,0,0,0,0|1,0,0]=3 81 B11R0.93 COC(=O)CC(=O)CCC(C)C AB7550 [0,2,0,0,0,0|1,0,1]=4 82 B11R0.34 C[C@H](N)CNC(=O)OC(C)(C)C 86282 [0,2,0,0,0,0|2,0,0]=4 83 B11R0.34 C[C@H](N)CNC(=O)OC(C)(C)C 86341 [0,2,0,0,0,0|2,0,0]=4 84 B11R0.34 C[C@H](N)CNC(=O)OC(C)(C)C I11583 [0,2,0,0,0,0|2,0,0]=4 85 B9R1.2 CCN1CCNC(=O)C1 C76051 [1,0,0,1,0,0|2,0,0]=4 86 B9R1.2 CCN1CCNC(=O)C1 F52612 [1,0,0,1,0,0|2,0,0]=4 87 B9R1.2 CC[C@H]1CC(=O)CCO1 73975 [1,0,0,1,0,0|2,0,0]=4 88 B9R1.2 NC[C@H]1CCNC(=O)C1 37084 [1,0,0,1,0,0|2,0,0]=4 89 B9R1.2 NC[C@H]1CCNC(=O)C1 72532 [1,0,0,1,0,0|2,0,0]=4 90 B9R1.2 O=C1CCC[C@H](CO)C1 Y10198 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.2 O=C1C[C@@H](CO)CCN1 37567 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.15 CCN1CCNCC1=O W18927 [1,0,0,1,0,0|2,0,0]=4 93 B9R1.15 CC[C@@H]1NCCCC1=O 63470 [1,0,0,1,0,0|2,0,0]=4 94 B9R1.33 NCCN1CCOC1=O C13660 [1,0,0,1,0,0|2,0,0]=4 95 B9R1.48 C[C@H]1CCCCC(=O)N1 W19298 [1,0,0,1,0,0|1,0,0]=3 96 B9R1.49 CN1CCNC(=O)CC1 Y10078 [1,0,0,1,0,0|2,0,0]=4 97 B9R1.50 O=C1NCCCCCN1 W17640 [1,0,0,1,0,0|2,0,0]=4 98 B9R1.69 CC1CC(=O)CCC1O Y10041 [1,0,0,1,0,0|2,0,0]=4 99 B9R1.73 CCOC(=N)C1CCC1 C13282 [1,0,0,1,0,0|1,0,0]=3 100 B9R1.6 CC(C)C1CCNCC1 T72018 [1,0,0,1,0,0|1,0,1]=4 101 B9R1.6 CC(C)N1CCOCC1 78587 [1,0,0,1,0,0|1,0,1]=4 102 B9R1.6 C[C@H](N)C1CCOCC1 52485 [1,0,0,1,0,0|1,0,1]=4 103 B9R1.6 C[C@H](N)C1CCOCC1 52508 [1,0,0,1,0,0|1,0,1]=4 104 B9R1.6 C[C@H](N)C1CCOCC1 53162 [1,0,0,1,0,0|1,0,1]=4 105 B9R1.6 C[C@H](O)C1CCOCC1 72533 [1,0,0,1,0,0|1,0,1]=4 106 B9R1.6 C[C@H](O)C1CCOCC1 D96636 [1,0,0,1,0,0|1,0,1]=4 107 B9R1.148 CC1(C)CCCNCC1 W15420 [1,0,0,1,0,0|1,0,1]=4 108 B9R1.10 CC1(C)CCC(N)CC1 F12447 [1,0,0,1,0,0|1,0,1]=4 109 B9R1.10 CC1(C)CNC(=O)CN1 P16103 [1,0,0,1,0,0|2,0,0]=4 110 B9R1.10 CC1(O)CCC(=O)CC1 F13738 [1,0,0,1,0,0|1,0,0]=3 111 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 AT19193 [1,0,0,1,0,0|1,0,0]=3 112 B9R1.80 COC(=O)C#CC1CC1 W15222 [1,0,0,1,0,0|0,0,2]=4 113 B9R1.80 COC(=O)\C=C\C1CC1 89072 [1,0,0,1,0,0|0,0,2]=4 114 B9R1.82 COC(=O)C1CC(Br)C1 38009 [1,0,0,1,0,0|1,0,0]=3 115 B9R1.82 COC(=O)C1CC(C)C1 84766 [1,0,0,1,0,0|0,0,0]=2 116 B9R1.82 COC(=O)C1CC(F)C1 P19700 [1,0,0,1,0,0|1,0,0]=3 117 B9R1.82 COC(=O)C1CC(N)C1 FD7142 [1,0,0,1,0,0|1,0,0]=3 118 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 38534 [1,0,0,1,0,0|1,0,0]=3 119 B9R1.34 CC1CC(=O)CC(C)N1 32785 [0,0,0,1,1,0|2,0,0]=4 120 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 P14153 [0,0,0,1,1,0|2,0,0]=4 121 B9R1.66 CC1(C)CCCC(=O)N1 W17371 [0,0,0,1,1,0|2,0,0]=4 122 B11R1.15 CCOC(=O)C1CCC(O)C1 C14287 [0,0,0,1,0,1|1,0,0]=3 123 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](C)CN1 FD7112 [0,0,0,1,0,1|0,0,0]=2 124 B11R1.15 CCOC(=O)[C@H]1CCN(C)C1 30995 [0,0,0,1,0,1|1,0,0]=3 125 B11R1.201 CCOC(=O)CC1CC(O)C1 38855 [0,0,0,1,0,1|1,0,0]=3 126 B11R1.839 CCOC(=O)C[C@H]1CC1(F)F P15480 [0,0,0,1,0,1|2,0,0]=4 127 B11R1.86 CC(C)CN1CCCCC1=O 91963 [0,1,0,1,0,0|2,0,0]=4 128 B11R1.86 CN(C)C[C@H]1CCCCC1=O 78194 [0,1,0,1,0,0|2,0,0]=4 129 B11R1.821 CCOC(=O)C1CC(F)(F)C1 N10643 [0,1,0,1,0,0|1,0,0]=3 130 B11R1.833 CCOC(=O)C1(C)CC(=O)C1 P13493 [0,1,0,1,0,0|1,0,1]=4 131 B11R1.833 CCOC(=O)[C@]1(C)C[C@H](O)C1 P13497 [0,1,0,1,0,0|1,0,0]=3 132 B11R1.289 CCOC(=O)CCN1CCC1 F31220 [0,1,0,1,0,0|1,0,0]=3 133 B11R1.289 CCOC(=O)\C=C\C1CCC1 86249 [0,1,0,1,0,0|0,0,2]=4 134 B11R2.42 NC1CC2(CCNC2=O)C1 P18067 [0,0,0,2,0,0|2,0,0]=4 135 B7R0.2 CC(C)NC(=O)CBr A12824 [1,0,0,0,1,0|2,0,0]=4 136 B7R0.2 CC(C)NC(=O)CI A11046 [1,0,0,0,1,0|2,0,0]=4 137 B7R0.2 CC(C)OC(=O)CN FD21588 [1,0,0,0,1,0|2,0,0]=4 138 B7R0.2 COC(=O)C[C@H](C)N FD10418 [1,0,0,0,1,0|1,0,0]=3 139 B7R0.2 COC(=O)C[C@H](C)N S11691 [1,0,0,0,1,0|1,0,0]=3 140 B7R0.5 CCOC(=O)[C@H](C)O D75729 [0,0,0,0,2,0|1,0,0]=3 141 B7R0.5 CCSC(=O)[C@H](C)N C14826 [0,0,0,0,2,0|1,1,0]=4