0 B9R0.5 CCCCC[C@H](O)CCO A10789 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.5 CCOC(=O)CCCC#N 84960 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.5 CCOC(=O)CCCC=O N10598 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.5 CCOC(=O)CCCCN 23836 [0,0,0,0,0,0|3,0,0]=3 4 B9R0.5 CCOC(=O)\C=C\CCBr I11241 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.5 CCOC(=O)\C=C\CCO W16297 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.5 COCCNC(=O)CC#N 71396 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.1 C#CCCC(=O)CCO N11427 [1,0,0,0,0,0|1,0,2]=4 8 B8R0.1 CCCC(=O)OCCO D81566 [1,0,0,0,0,0|1,0,0]=2 9 B8R0.1 CCCC[C@H](C)CCO D93301 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.1 CCC[C@H](C)CCCO A12859 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.1 CCNC(=O)NCCN AR2426 [1,0,0,0,0,0|3,0,0]=4 12 B8R0.1 CCOC(=O)CCC#N 82565 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.1 CCOC(=O)CCC=O AB9300 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.1 CCOC(=O)CCCO C91677 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.4 COCCOCCOC D72523 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.4 ClCCCOCCCCl FD13137 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.4 NCCCOCCCO D84663 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.4 OCCCOCCCO AT19326 [1,0,0,0,0,0|2,0,1]=4 19 B8R0.6 CCCCCC(=O)CBr C73149 [1,0,0,0,0,0|2,0,0]=3 20 B10R0.1 CCCC(=O)OCCCSC 73858 [0,1,0,0,0,0|0,0,0]=1 21 B10R0.1 CCCCNCC(=O)OCC AB3730 [0,1,0,0,0,0|2,0,0]=3 22 B10R0.1 CCOC(=O)\C=C\CCCCl 58166 [0,1,0,0,0,0|2,0,1]=4 23 B10R0.2 O=C(CCCl)OC(=O)CCCl AC9354 [0,1,0,0,0,0|2,0,1]=4 24 B10R0.3 C=C(C)CCCC(=O)OCC C75004 [0,1,0,0,0,0|2,0,1]=4 25 B10R0.6 CC(=O)CC(=O)OCCC#N AC1591 [0,1,0,0,0,0|1,0,2]=4 26 B10R0.6 CC(C)NC(=O)NCCCN AR2456 [0,1,0,0,0,0|3,0,0]=4 27 B10R0.24 CCCCC[C@@H](CO)CCC 77487 [0,1,0,0,0,0|1,0,2]=4 28 B10R0.83 CCCCCC(=O)[C@@H](C)CC D84197 [0,1,0,0,0,0|1,0,0]=2 29 B10R0.83 C\C=C(/C)C(=O)OCCCC A12842 [0,1,0,0,0,0|0,0,2]=3 30 B10R0.91 CCCCNC(=O)OCCO D93331 [0,1,0,0,0,0|2,0,0]=3 31 B10R0.108 CCCC(=O)OC[C@@H](O)CO A10828 [0,1,0,0,0,0|1,0,0]=2 32 B10R1.11 CCOC(=O)C1=CCCC1 71128 [0,0,0,1,0,0|2,0,1]=4 33 B10R1.11 CCOC(=O)[C@H]1CCNC1 AC2254 [0,0,0,1,0,0|3,0,0]=4 34 B10R1.11 N#CCC(=O)C1CCCC1 84149 [0,0,0,1,0,0|2,0,1]=4 35 B10R1.25 CC[C@H]1CNC(=O)CC1=O 27452 [0,0,0,1,0,0|2,0,1]=4 36 B10R1.78 O=C1CCCCCCCC1 AC8766 [0,0,0,1,0,0|1,0,0]=2 37 B10R1.78 O=C1CCCCCCCN1 D74918 [0,0,0,1,0,0|1,0,0]=2 38 B10R1.135 CCOC(=O)C1CC1CO F13437 [0,0,0,1,0,0|3,0,0]=4 39 B10R1.135 CCOC(=O)[C@H]1C[C@H]1CO F50050 [0,0,0,1,0,0|3,0,0]=4 40 B10R1.137 CCOC(=O)CC1CNC1 D80644 [0,0,0,1,0,0|3,0,0]=4 41 B10R1.137 CCOC(=O)CC1COC1 82536 [0,0,0,1,0,0|3,0,0]=4 42 B10R1.138 CCOC(=O)\C=C\C1CC1 W10675 [0,0,0,1,0,0|2,0,1]=4 43 B7R0.1 CCCNCCCO AB4057 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.1 CNCCOCCO C70229 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.1 COCCOCCI AT13077 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.1 NCCCOCCO W11222 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.3 CCC(=O)OCCO A11774 [2,0,0,0,0,0|1,0,0]=3 48 B7R0.3 CNCCC(=O)OC AB11809 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.3 COC(=O)CCCI F19766 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.7 CCNC(=O)CCCl Y14703 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.7 CCNC(=O)CNC A12930 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.7 COCC(=O)COC 36699 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.4 CC(=O)CCCCBr O11558 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.4 CC(=O)OCCCBr C75766 [2,0,0,0,0,0|1,0,0]=3 55 B9R0.18 CCCOC(C)OCCC D93053 [1,1,0,0,0,0|1,0,1]=4 56 B9R0.34 CCOC(=O)C[C@@H](C)CC D78451 [1,1,0,0,0,0|1,0,0]=3 57 B9R0.34 CCOC(=O)C[C@H](C)NC AC6615 [1,1,0,0,0,0|2,0,0]=4 58 B9R0.34 CCOC(=O)C[C@H](O)CCl 32733 [1,1,0,0,0,0|2,0,0]=4 59 B9R0.35 CCCN(N)C(=O)OCC W11062 [1,1,0,0,0,0|2,0,0]=4 60 B9R0.48 C=C(C)CCC(=O)OCC A11234 [1,1,0,0,0,0|1,0,1]=4 61 B9R0.48 CC(C)CNC(=O)CCN D86301 [1,1,0,0,0,0|2,0,0]=4 62 B9R0.48 CCOC(=O)CC[C@H](C)Br C77584 [1,1,0,0,0,0|1,0,0]=3 63 B9R0.48 CCOC(=O)OCC(C)C A12452 [1,1,0,0,0,0|1,0,0]=3 64 B9R0.45 CCCCOCCCCO S11917 [1,1,0,0,0,0|0,0,1]=3 65 B9R0.24 CCC(=O)CCC(=O)CC Y14693 [1,1,0,0,0,0|1,0,1]=4 66 B9R0.24 O=C(CS)OC[C@@H](O)CO H10926 [1,1,0,0,0,0|2,0,0]=4 67 B9R0.47 C=C(C)C(=O)NCCCC AB10367 [1,1,0,0,0,0|1,0,1]=4 68 B9R0.47 C=C(C)C(=O)OCCCO A12375 [1,1,0,0,0,0|1,0,1]=4 69 B9R0.47 CCCCCC(=O)N(C)C C16028 [1,1,0,0,0,0|2,0,0]=4 70 B11R0.2 CCCCCOC(=O)CC(C)C A12347 [0,2,0,0,0,0|0,0,0]=2 71 B11R0.4 CCCCCCNC(=O)CCC W15994 [0,2,0,0,0,0|1,0,0]=3 72 B11R0.4 CCOC(=O)CCCCCC=O N10484 [0,2,0,0,0,0|2,0,0]=4 73 B11R0.4 CCOC(=O)\C=C\CCCCCl 56157 [0,2,0,0,0,0|2,0,0]=4 74 B11R0.155 CCCCCC(=O)C(=O)OCC Y11380 [0,2,0,0,0,0|1,0,1]=4 75 B11R0.1 CCOC(=O)C[C@@H](O)CC(C)C D96336 [0,2,0,0,0,0|2,0,0]=4 76 B11R0.182 CCC[C@H](CC)CC(=O)OCC D93218 [0,2,0,0,0,0|2,0,0]=4 77 B11R0.46 CCCCOC(=O)CCC(=O)O S10462 [0,2,0,0,0,0|0,0,1]=3 78 B11R0.46 COCCOC(=O)CCC(=O)O D93560 [0,2,0,0,0,0|1,0,1]=4 79 B11R0.140 CCCCOC(=O)OCCCC C75547 [0,2,0,0,0,0|0,0,0]=2 80 B11R0.321 CCCCOS(=O)(=O)CCCCl 56893 [0,2,0,0,0,0|1,0,0]=3 81 B9R1.2 CCC1=CC(=O)CCC1 A10067 [1,0,0,1,0,0|0,0,2]=4 82 B9R1.2 CCN1CCNC(=O)C1 C76051 [1,0,0,1,0,0|2,0,0]=4 83 B9R1.2 CCN1CCNC(=O)C1 F52612 [1,0,0,1,0,0|2,0,0]=4 84 B9R1.2 CC[C@H]1CC(=O)CCO1 73975 [1,0,0,1,0,0|1,0,0]=3 85 B9R1.2 CC[C@H]1CNCC(=O)N1 D97274 [1,0,0,1,0,0|2,0,0]=4 86 B9R1.2 N#C[C@H]1CCCC(=O)C1 C73416 [1,0,0,1,0,0|1,0,1]=4 87 B9R1.2 NC[C@H]1CCNC(=O)C1 37084 [1,0,0,1,0,0|2,0,0]=4 88 B9R1.2 NC[C@H]1CCNC(=O)C1 72532 [1,0,0,1,0,0|2,0,0]=4 89 B9R1.2 O=C1CCC[C@H](CO)C1 Y10198 [1,0,0,1,0,0|1,0,0]=3 90 B9R1.2 O=C1CCC[C@H](CO)N1 Y14667 [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|1,0,0]=3 94 B9R1.15 CO[C@H]1CCCNC1=O O11031 [1,0,0,1,0,0|2,0,0]=4 95 B9R1.15 CO[C@H]1COCCC1=O 37648 [1,0,0,1,0,0|2,0,0]=4 96 B9R1.33 O=C1CCCN1CCBr C77640 [1,0,0,1,0,0|2,0,0]=4 97 B9R1.48 C[C@H]1CC(=O)NCCN1 38322 [1,0,0,1,0,0|2,0,0]=4 98 B9R1.48 C[C@H]1CCCCC(=O)N1 W19298 [1,0,0,1,0,0|1,0,0]=3 99 B9R1.49 CN1CCNC(=O)CC1 Y10078 [1,0,0,1,0,0|2,0,0]=4 100 B9R1.49 O=C1CCC[C@H](O)CN1 N10631 [1,0,0,1,0,0|2,0,0]=4 101 B9R1.50 O=C1CNCCCNC1 77720 [1,0,0,1,0,0|2,0,0]=4 102 B9R1.50 O=C1NCCCCCN1 W17640 [1,0,0,1,0,0|2,0,0]=4 103 B9R1.69 CC1CC(=O)CCC1O Y10041 [1,0,0,1,0,0|1,0,0]=3 104 B9R1.73 CCOC(=N)C1CCC1 C13282 [1,0,0,1,0,0|2,0,0]=4 105 B9R1.73 O=C(CCCl)N1CCC1 72124 [1,0,0,1,0,0|2,0,0]=4 106 B9R1.134 CCC[N+]1(C)CCCC1 56141 [1,0,0,1,0,0|2,0,0]=4 107 B9R1.5 CC1CCCNCC1C 73165 [1,0,0,1,0,0|2,0,0]=4 108 B9R1.103 C1CCCCNCCC1 T72630 [1,0,0,1,0,0|1,0,1]=4 109 B9R1.1 NCC1CCC(=O)CC1 56684 [1,0,0,1,0,0|2,0,0]=4 110 B9R1.1 NC[C@H]1CCC(=O)NC1 37820 [1,0,0,1,0,0|2,0,0]=4 111 B9R1.1 O=C1CC[C@H](CO)CN1 C72773 [1,0,0,1,0,0|2,0,0]=4 112 B9R1.11 NCC(=O)N1CCCC1 W18110 [1,0,0,1,0,0|2,0,0]=4 113 B9R1.11 O=C(CBr)C1CCCC1 P20314 [1,0,0,1,0,0|2,0,0]=4 114 B9R1.11 O=C(CO)N1CCCC1 W15877 [1,0,0,1,0,0|2,0,0]=4 115 B9R1.79 COC(=O)CC1CCC1 20777 [1,0,0,1,0,0|2,0,0]=4 116 B9R1.79 O=C(CBr)CC1CCC1 D79065 [1,0,0,1,0,0|2,0,0]=4 117 B11R1.4 OCCCCO[C@@H]1CCCO1 A10551 [0,1,0,1,0,0|0,0,2]=4 118 B11R1.16 CCCC(=O)N1CCNCC1 D76298 [0,1,0,1,0,0|1,0,0]=3 119 B11R1.16 CCOC(=O)[C@@H]1CCCCO1 S11652 [0,1,0,1,0,0|1,0,0]=3 120 B11R1.16 CCOC(=O)[C@@H]1CNCCO1 31686 [0,1,0,1,0,0|2,0,0]=4 121 B11R1.30 CCOC(=O)C=C1CCCC1 95468 [0,1,0,1,0,0|2,0,0]=4 122 B11R1.30 CCOC(=O)CC1CCCC1 F11924 [0,1,0,1,0,0|2,0,0]=4 123 B11R1.30 CCOC(=O)C[C@H]1CCNC1 P12138 [0,1,0,1,0,0|2,0,0]=4 124 B11R1.199 CCOC(=O)C1CCCC1O 74882 [0,1,0,1,0,0|2,0,0]=4 125 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N 30653 [0,1,0,1,0,0|2,0,0]=4 126 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N 31838 [0,1,0,1,0,0|2,0,0]=4 127 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N 31887 [0,1,0,1,0,0|2,0,0]=4 128 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N AC4201 [0,1,0,1,0,0|2,0,0]=4 129 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N C13819 [0,1,0,1,0,0|2,0,0]=4 130 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1O C74194 [0,1,0,1,0,0|2,0,0]=4 131 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N AC6749 [0,1,0,1,0,0|2,0,0]=4 132 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N AT11251 [0,1,0,1,0,0|2,0,0]=4 133 B11R1.199 CCOC(=O)[C@H]1CNC[C@@H]1C F13023 [0,1,0,1,0,0|2,0,0]=4 134 B11R1.289 CCOC(=O)CCN1CCC1 F31220 [0,1,0,1,0,0|2,0,0]=4 135 B11R1.289 CCOC(=O)\C=C\C1CCC1 86249 [0,1,0,1,0,0|2,0,0]=4 136 B11R1.201 CCOC(=O)CC1CC(O)C1 38855 [0,1,0,1,0,0|2,0,0]=4 137 B11R1.840 CCOC(=O)CC1(F)CCC1 72955 [0,1,0,1,0,0|2,0,0]=4 138 B11R1.840 CCOC(=O)CC1(N)CCC1 F51920 [0,1,0,1,0,0|2,0,0]=4 139 B11R1.15 CCOC(=O)C1CCC(O)C1 C14287 [0,1,0,1,0,0|2,0,0]=4 140 B11R1.17 O=C1COCCN1CCCBr 56755 [0,1,0,1,0,0|2,0,0]=4 141 B11R1.349 CCOC(=O)[C@@H](Br)C1CCC1 P17194 [0,1,0,1,0,0|2,0,0]=4 142 B11R1.349 CCOC(=O)[C@@H](N)C1CCC1 F53581 [0,1,0,1,0,0|2,0,0]=4 143 B11R1.349 CCOC(=O)[C@@H](N)C1CCC1 F53672 [0,1,0,1,0,0|2,0,0]=4 144 B11R1.819 CCOC(=O)C1(Br)CCCC1 P16851 [0,1,0,1,0,0|2,0,0]=4 145 B11R1.819 CCOC(=O)C1(O)CCCC1 W18607 [0,1,0,1,0,0|2,0,0]=4 146 B11R1.28 CCCCO[C@@H]1CCCCO1 D80647 [0,1,0,1,0,0|0,0,2]=4 147 B11R2.106 O=C1CNC[C@@H]2CCCN12 90665 [0,0,0,2,0,0|2,0,0]=4 148 B11R2.106 O=C1CNC[C@@H]2CCCN12 Y11147 [0,0,0,2,0,0|2,0,0]=4 149 B11R2.678 O=C1CC2CCCC(C1)N2 CS1263 [0,0,0,2,0,0|2,0,0]=4 150 B11R2.1478 O=C1CC2(CCC2)CCN1 D81334 [0,0,0,2,0,0|2,0,0]=4 151 B11R2.1478 O=C1CCOC2(CCC2)C1 57397 [0,0,0,2,0,0|2,0,0]=4 152 B11R2.1 O=C1CC[C@H]2CNCCN12 37767 [0,0,0,2,0,0|2,0,0]=4 153 B11R2.1 O=C1CC[C@H]2CNCCN12 P15533 [0,0,0,2,0,0|2,0,0]=4 154 B11R2.1 O=C1NC[C@@H]2CCNC[C@H]12 P15471 [0,0,0,2,0,0|2,0,0]=4 155 B11R2.1 O=C1OCC2CCCCC12 D93790 [0,0,0,2,0,0|0,0,0]=2 156 B11R2.1 O=C1OC[C@H]2CNCCN12 62156 [0,0,0,2,0,0|2,0,0]=4 157 B11R2.459 O=C1CCCN1C2CNC2 CS2382 [0,0,0,2,0,0|2,0,0]=4