0 B9R0.5 CCOC(=O)CCCC#N 84960 [0,0,0,0,0,0|1,0,1]=2 1 B9R0.5 CCOC(=O)CCCC=O N10598 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.5 CCOC(=O)CCCCN 23836 [0,0,0,0,0,0|1,0,1]=2 3 B9R0.5 CCOC(=O)\C=C\CCBr I11241 [0,0,0,0,0,0|1,0,3]=4 4 B9R0.5 CCOC(=O)\C=C\CCO W16297 [0,0,0,0,0,0|1,0,3]=4 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|1,0,1]=3 8 B8R0.1 CCOC(=O)CCC=O AB9300 [1,0,0,0,0,0|1,0,0]=2 9 B8R0.1 CCOC(=O)CCCO C91677 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.4 C=CCCCCCCI W11175 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.6 CCCCCC(=O)CBr C73149 [1,0,0,0,0,0|1,0,2]=4 12 B8R0.6 COC(=O)COCCO D84694 [1,0,0,0,0,0|2,0,1]=4 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|1,0,1]=3 16 B10R0.1 CCOC(=O)CNCCC#N Y10514 [0,1,0,0,0,0|1,0,1]=3 17 B10R0.1 CCOC(=O)\C=C\CCCCl 58166 [0,1,0,0,0,0|1,0,2]=4 18 B10R0.3 C=C(C)CCCC(=O)OCC C75004 [0,1,0,0,0,0|0,0,0]=1 19 B10R0.3 CCOC(=O)CCC[N+](=O)[O-] Y14690 [0,1,0,0,0,0|2,0,0]=3 20 B10R0.19 C=CCC[C@H](N)C(=O)OCC W17088 [0,1,0,0,0,0|0,0,0]=1 21 B10R0.83 C=CCOCC(=O)N(C)OC W11358 [0,1,0,0,0,0|3,0,0]=4 22 B10R0.83 CCCCCC(=O)[C@@H](C)CC D84197 [0,1,0,0,0,0|1,0,2]=4 23 B10R0.91 CCCCNC(=O)OCCO D93331 [0,1,0,0,0,0|1,0,2]=4 24 B10R0.108 CCOC(=O)CCC(=O)CBr 79134 [0,1,0,0,0,0|1,0,2]=4 25 B10R1.11 CCOC(=O)C1=CCCC1 71128 [0,0,0,1,0,0|0,0,2]=3 26 B10R1.11 CCOC(=O)[C@H]1CCNC1 AC2254 [0,0,0,1,0,0|1,0,1]=3 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)C1CC1C#N A12647 [0,0,0,1,0,0|1,0,1]=3 30 B10R1.135 CCOC(=O)C1CC1CO F13437 [0,0,0,1,0,0|1,0,1]=3 31 B10R1.135 CCOC(=O)[C@@H]1C[C@@H]1C#N P16190 [0,0,0,1,0,0|1,0,1]=3 32 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1C#N P16387 [0,0,0,1,0,0|1,0,1]=3 33 B10R1.135 CCOC(=O)[C@H]1C[C@H]1CO F50050 [0,0,0,1,0,0|1,0,1]=3 34 B10R1.137 CCOC(=O)CC1CNC1 D80644 [0,0,0,1,0,0|1,0,1]=3 35 B10R1.137 CCOC(=O)CC1COC1 82536 [0,0,0,1,0,0|1,0,1]=3 36 B10R1.245 CCN1C(=O)CNCC1=O 72865 [0,0,0,1,0,0|3,0,0]=4 37 B7R0.1 C=CCCCCNC R10008 [2,0,0,0,0,0|1,0,1]=4 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|0,0,0]=2 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|1,0,1]=4 42 B7R0.3 COC(=O)CCCI F19766 [2,0,0,0,0,0|1,0,0]=3 43 B7R0.7 C=C=CC(=O)OCC T71774 [2,0,0,0,0,0|0,0,2]=4 44 B7R0.7 CCNC(=O)CCCl Y14703 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.7 CCNC(=O)CNC A12930 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.4 CC(=O)CCCCBr O11558 [2,0,0,0,0,0|1,0,1]=4 47 B7R0.4 COCCCC(=O)O 78063 [2,0,0,0,0,0|1,0,1]=4 48 B9R0.34 CCOC(=O)C[C@@H](C)CC D78451 [1,1,0,0,0,0|0,0,1]=3 49 B9R0.34 CCOC(=O)C[C@H](C)NC AC6615 [1,1,0,0,0,0|1,0,1]=4 50 B9R0.34 CCOC(=O)C[C@H](O)CCl 32733 [1,1,0,0,0,0|1,0,0]=3 51 B9R0.35 CCCN(N)C(=O)OCC W11062 [1,1,0,0,0,0|1,0,1]=4 52 B9R0.48 C=C(C)CCC(=O)OCC A11234 [1,1,0,0,0,0|0,0,0]=2 53 B9R0.48 CCOC(=O)CC[C@H](C)Br C77584 [1,1,0,0,0,0|0,0,1]=3 54 B9R0.48 CCOC(=O)CC[N+](=O)[O-] F11926 [1,1,0,0,0,0|2,0,0]=4 55 B9R0.48 CCOC(=O)NCC(=O)O D76651 [1,1,0,0,0,0|2,0,0]=4 56 B9R0.48 CCOC(=O)OCC(C)C A12452 [1,1,0,0,0,0|1,0,1]=4 57 B9R0.66 CCOS(=O)(=O)CCCCl AB22521 [1,1,0,0,0,0|2,0,0]=4 58 B11R0.4 CCOC(=O)CCCCCC=O N10484 [0,2,0,0,0,0|0,0,1]=3 59 B11R0.4 CCOC(=O)CCNCCC#N AB10150 [0,2,0,0,0,0|0,0,2]=4 60 B11R0.4 CCOC(=O)\C=C\CCCCCl 56157 [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|0,0,2]=4 62 B11R0.174 C=CC(=O)OCCC(=O)OCC D93457 [0,2,0,0,0,0|0,0,1]=3 63 B11R0.176 CCOC(=O)CCCCC(N)=O 81596 [0,2,0,0,0,0|0,0,1]=3 64 B11R0.1 CCOC(=O)C[C@@H](O)CC(C)C D96336 [0,2,0,0,0,0|0,0,2]=4 65 B11R0.182 CCC[C@H](CC)CC(=O)OCC D93218 [0,2,0,0,0,0|0,0,2]=4 66 B11R0.165 C#CCCCC(=O)OC(C)(C)C P16644 [0,2,0,0,0,0|0,0,2]=4 67 B11R0.165 CC(C)(C)OC(=O)CCCCN AT12621 [0,2,0,0,0,0|1,0,1]=4 68 B11R0.165 CC(C)(C)OC(=O)CCCCN AT12622 [0,2,0,0,0,0|1,0,1]=4 69 B11R0.165 CC(C)(C)OC(=O)CCCCO AT11168 [0,2,0,0,0,0|1,0,1]=4 70 B11R0.165 CC(C)(C)OC(=O)NCCC=O 71690 [0,2,0,0,0,0|2,0,0]=4 71 B11R0.165 CNCCCC(=O)OC(C)(C)C AT25831 [0,2,0,0,0,0|1,0,1]=4 72 B9R1.2 NC[C@H]1CCNC(=O)C1 37084 [1,0,0,1,0,0|2,0,0]=4 73 B9R1.2 NC[C@H]1CCNC(=O)C1 72532 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.2 O=C1CCC[C@H](CO)C1 Y10198 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.2 O=C1C[C@@H](CO)CCN1 37567 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.7 CCOC1=CC(=O)CC1 W16153 [1,0,0,1,0,0|2,0,0]=4 77 B9R1.15 CC[C@@H]1NCCCC1=O 63470 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.33 NCCN1CCOC1=O C13660 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.48 C[C@H]1CCCCC(=O)N1 W19298 [1,0,0,1,0,0|1,0,1]=4 80 B9R1.69 CC1CC(=O)CCC1O Y10041 [1,0,0,1,0,0|2,0,0]=4 81 B9R1.73 CCOC(=N)C1CCC1 C13282 [1,0,0,1,0,0|1,0,1]=4 82 B9R1.1 NCC1CCC(=O)CC1 56684 [1,0,0,1,0,0|1,0,1]=4 83 B9R1.1 O=CC1CCC(=O)CC1 C77323 [1,0,0,1,0,0|1,0,0]=3 84 B9R1.3 CN1C(=O)CCCC1=O C74292 [1,0,0,1,0,0|2,0,0]=4 85 B9R1.11 COC(=O)[C@@H]1CCCN1 D82335 [1,0,0,1,0,0|1,0,1]=4 86 B9R1.11 COC(=O)[C@H]1CCNC1 37185 [1,0,0,1,0,0|1,0,1]=4 87 B9R1.11 COC(=O)[C@H]1CCNC1 37186 [1,0,0,1,0,0|1,0,1]=4 88 B9R1.11 COC(=O)[C@H]1CCOC1 P12029 [1,0,0,1,0,0|1,0,1]=4 89 B9R1.11 COC(=O)[C@H]1CCOC1 P12030 [1,0,0,1,0,0|1,0,1]=4 90 B9R1.79 COC(=O)CC1CCC1 20777 [1,0,0,1,0,0|0,0,2]=4 91 B9R1.79 COC(=O)CC1CNC1 C71903 [1,0,0,1,0,0|1,0,1]=4 92 B9R1.79 COC(=O)CC1COC1 82645 [1,0,0,1,0,0|1,0,1]=4 93 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N 37832 [1,0,0,1,0,0|1,0,1]=4 94 B9R1.88 COC(=O)C1CC1CN P14227 [1,0,0,1,0,0|1,0,1]=4 95 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO P20071 [1,0,0,1,0,0|1,0,1]=4 96 B11R1.16 CCOC(=O)C1=CCNCC1 W10892 [0,1,0,1,0,0|0,0,2]=4 97 B11R1.16 CCOC(=O)C1=CNCCS1 D85953 [0,1,0,1,0,0|1,0,1]=4 98 B11R1.16 CCOC(=O)[C@@H]1CCCCO1 S11652 [0,1,0,1,0,0|0,0,2]=4 99 B11R1.16 CCOC(=O)[C@@H]1CNCCO1 31686 [0,1,0,1,0,0|1,0,1]=4 100 B11R1.16 CCOC(=O)[C@@H]1CNCCS1 32555 [0,1,0,1,0,0|1,0,1]=4 101 B11R1.16 CCOC(=O)[C@@H]1CSCCN1 66701 [0,1,0,1,0,0|1,0,1]=4 102 B11R1.30 CCOC(=O)CC1=CSC=N1 31608 [0,1,0,1,0,0|1,0,1]=4 103 B11R1.30 CCOC(=O)CC1=NNC=C1 F12966 [0,1,0,1,0,0|1,0,1]=4 104 B11R1.30 CCOC(=O)CC1CCCC1 F11924 [0,1,0,1,0,0|0,0,2]=4 105 B11R1.30 CCOC(=O)CN1C=CC=N1 W10260 [0,1,0,1,0,0|1,0,1]=4 106 B11R1.30 CCOC(=O)C[C@H]1CCNC1 P12138 [0,1,0,1,0,0|0,0,2]=4 107 B11R1.199 CCOC(=O)C1CCCC1O 74882 [0,1,0,1,0,0|0,0,2]=4 108 B11R1.199 CCOC(=O)C1NCCC1N 60856 [0,1,0,1,0,0|1,0,1]=4 109 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N 30653 [0,1,0,1,0,0|0,0,2]=4 110 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N 31838 [0,1,0,1,0,0|0,0,2]=4 111 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N 31887 [0,1,0,1,0,0|0,0,2]=4 112 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N AC4201 [0,1,0,1,0,0|0,0,2]=4 113 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N C13819 [0,1,0,1,0,0|0,0,2]=4 114 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1O C74194 [0,1,0,1,0,0|0,0,2]=4 115 B11R1.199 CCOC(=O)[C@@H]1CCNC1=O 38525 [0,1,0,1,0,0|1,0,0]=3 116 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N AC6749 [0,1,0,1,0,0|0,0,2]=4 117 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N AT11251 [0,1,0,1,0,0|0,0,2]=4 118 B11R1.199 CCOC(=O)[C@H]1CNC[C@@H]1C F13023 [0,1,0,1,0,0|0,0,2]=4 119 B11R1.289 CCOC(=O)CCN1CCC1 F31220 [0,1,0,1,0,0|0,0,2]=4 120 B11R1.201 CCOC(=O)CC1CC(O)C1 38855 [0,1,0,1,0,0|0,0,2]=4 121 B11R1.840 CCOC(=O)CC1(F)CCC1 72955 [0,1,0,1,0,0|0,0,2]=4 122 B11R1.840 CCOC(=O)CC1(N)CCC1 F51920 [0,1,0,1,0,0|0,0,2]=4 123 B11R1.840 CCOC(=O)CC1(N)COC1 37732 [0,1,0,1,0,0|1,0,1]=4 124 B11R1.840 CCOC(=O)CC1(N)COC1 66130 [0,1,0,1,0,0|1,0,1]=4 125 B11R1.840 CCOC(=O)CC1(O)COC1 P14329 [0,1,0,1,0,0|1,0,1]=4 126 B11R1.15 CCOC(=O)C1CCC(O)C1 C14287 [0,1,0,1,0,0|0,0,2]=4 127 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](C)CN1 FD7112 [0,1,0,1,0,0|1,0,1]=4 128 B11R1.15 CCOC(=O)[C@H]1CCN(C)C1 30995 [0,1,0,1,0,0|1,0,1]=4 129 B11R1.90 O=C(O)CCN1CCOC1=O 72085 [0,1,0,1,0,0|2,0,0]=4 130 B11R1.565 O=C1CCC[C@H](C(=O)O)CC1 64810 [0,1,0,1,0,0|2,0,0]=4 131 B11R1.816 CCOC(=O)C1CC1C(=O)O F13206 [0,1,0,1,0,0|1,0,0]=3 132 B11R1.816 CCOC(=O)[C@H]1C[C@H]1C(=O)O 84970 [0,1,0,1,0,0|1,0,0]=3 133 B11R1.839 CCOC(=O)C[C@H]1CC1(F)F P15480 [0,1,0,1,0,0|1,0,1]=4 134 B11R1.72 CCN1C(=O)CC[C@H](N)C1=O D78903 [0,1,0,1,0,0|2,0,0]=4 135 B11R1.349 CCOC(=O)[C@@H](Br)C1CCC1 P17194 [0,1,0,1,0,0|0,0,2]=4 136 B11R1.349 CCOC(=O)[C@@H](Br)C1COC1 P21040 [0,1,0,1,0,0|1,0,1]=4 137 B11R1.349 CCOC(=O)[C@@H](N)C1CCC1 F53581 [0,1,0,1,0,0|0,0,2]=4 138 B11R1.349 CCOC(=O)[C@@H](N)C1CCC1 F53672 [0,1,0,1,0,0|0,0,2]=4 139 B11R1.819 CCOC(=O)C1(Br)CCCC1 P16851 [0,1,0,1,0,0|0,0,2]=4 140 B11R1.819 CCOC(=O)C1(O)CCCC1 W18607 [0,1,0,1,0,0|0,0,2]=4 141 B11R1.819 CCOC(=O)[C@]1(O)CCSC1 W10817 [0,1,0,1,0,0|1,0,1]=4 142 B11R1.834 C=C[C@H]1C[C@@]1(N)C(=O)OCC 56265 [0,1,0,1,0,0|0,0,0]=2 143 B11R2.1 O=C1OCC2CCCCC12 D93790 [0,0,0,2,0,0|0,0,2]=4 144 B11R2.139 O=C1CC2CC(=O)CC2C1 H10082 [0,0,0,2,0,0|2,0,0]=4