0 B8R0.1 C#CCCC(=O)CCO N11427 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.1 CCCC(=O)OCCO D81566 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.1 CCNC(=O)NCCN AR2426 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.1 CCOC(=O)CCC#N 82565 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.1 CCOC(=O)CCC=O AB9300 [0,0,0,0,0,0|2,0,0]=2 5 B8R0.1 CCOC(=O)CCCO C91677 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.3 C#CCCC(=O)OC AT21755 [1,0,0,0,0,0|1,0,1]=3 7 B7R0.3 C=CCCC(=O)OC AT23749 [1,0,0,0,0,0|1,0,1]=3 8 B7R0.3 CCC(=O)OCCO A11774 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.3 CNCCC(=O)OC AB11809 [1,0,0,0,0,0|1,0,0]=2 10 B7R0.3 COC(=O)CCCI F19766 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.7 C=C=CC(=O)OCC T71774 [1,0,0,0,0,0|0,0,3]=4 12 B7R0.7 CCNC(=O)CCCl Y14703 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.7 CCNC(=O)CNC A12930 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.7 CCOC(=O)C#CBr C15771 [1,0,0,0,0,0|1,0,2]=4 15 B7R0.7 CCOP(C)OCC 28742 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.7 COCC(=O)COC 36699 [1,0,0,0,0,0|2,1,0]=4 17 B9R0.5 CCOC(=O)CCCC#N 84960 [0,1,0,0,0,0|1,0,1]=3 18 B9R0.5 CCOC(=O)CCCC=O N10598 [0,1,0,0,0,0|1,0,1]=3 19 B9R0.5 CCOC(=O)CCCCN 23836 [0,1,0,0,0,0|1,0,0]=2 20 B9R0.5 CCOC(=O)\C=C\CCBr I11241 [0,1,0,0,0,0|1,0,2]=4 21 B9R0.5 CCOC(=O)\C=C\CCO W16297 [0,1,0,0,0,0|1,0,2]=4 22 B9R0.34 CCOC(=O)CC(=N)NO Y14772 [0,1,0,0,0,0|2,0,1]=4 23 B9R0.34 CCOC(=O)C[C@@H](C)CC D78451 [0,1,0,0,0,0|1,0,0]=2 24 B9R0.34 CCOC(=O)C[C@H](C)NC AC6615 [0,1,0,0,0,0|1,0,0]=2 25 B9R0.34 CCOC(=O)C[C@H](O)CCl 32733 [0,1,0,0,0,0|2,0,0]=3 26 B9R0.35 CCCN(N)C(=O)OCC W11062 [0,1,0,0,0,0|2,0,0]=3 27 B9R0.35 CCNC(=O)C(=O)OCC W18547 [0,1,0,0,0,0|2,0,1]=4 28 B9R0.35 CCOC(=O)C(=O)CC#N C75508 [0,1,0,0,0,0|2,0,1]=4 29 B9R0.48 C=C(C)CCC(=O)OCC A11234 [0,1,0,0,0,0|1,0,0]=2 30 B9R0.48 CCOC(=O)CC[C@H](C)Br C77584 [0,1,0,0,0,0|1,0,0]=2 31 B9R0.48 CCOC(=O)CC[N+](=O)[O-] F11926 [0,1,0,0,0,0|2,0,0]=3 32 B9R0.48 CCOC(=O)NCC(=O)O D76651 [0,1,0,0,0,0|3,0,0]=4 33 B9R0.48 CCOC(=O)OCC(C)C A12452 [0,1,0,0,0,0|2,0,0]=3 34 B9R0.48 CCOC(=O)\C=C\C(C)=O 71109 [0,1,0,0,0,0|1,0,2]=4 35 B9R0.66 CCOS(=O)(=O)CCCCl AB22521 [0,1,0,0,0,0|3,0,0]=4 36 B9R1.2 CCN1CCNC(=O)C1 C76051 [0,0,0,1,0,0|3,0,0]=4 37 B9R1.2 CCN1CCNC(=O)C1 F52612 [0,0,0,1,0,0|3,0,0]=4 38 B9R1.2 CC[C@H]1CC(=O)CCO1 73975 [0,0,0,1,0,0|3,0,0]=4 39 B9R1.2 N#C[C@H]1CCCC(=O)C1 C73416 [0,0,0,1,0,0|3,0,0]=4 40 B9R1.2 N#C[C@H]1CCNC(=O)C1 W16380 [0,0,0,1,0,0|3,0,0]=4 41 B9R1.2 NC[C@H]1CCNC(=O)C1 37084 [0,0,0,1,0,0|3,0,0]=4 42 B9R1.2 NC[C@H]1CCNC(=O)C1 72532 [0,0,0,1,0,0|3,0,0]=4 43 B9R1.2 O=C1CCC[C@H](CO)C1 Y10198 [0,0,0,1,0,0|3,0,0]=4 44 B9R1.2 O=C1C[C@@H](CO)CCN1 37567 [0,0,0,1,0,0|3,0,0]=4 45 B9R1.7 CCOC1=CC(=O)CC1 W16153 [0,0,0,1,0,0|3,0,0]=4 46 B9R1.15 CCN1CCNCC1=O W18927 [0,0,0,1,0,0|3,0,0]=4 47 B9R1.15 CC[C@@H]1NCCCC1=O 63470 [0,0,0,1,0,0|3,0,0]=4 48 B9R1.15 CO[C@H]1COCCC1=O 37648 [0,0,0,1,0,0|2,1,0]=4 49 B9R1.33 NCCN1CCOC1=O C13660 [0,0,0,1,0,0|3,0,0]=4 50 B9R1.48 C[C@H]1CCCCC(=O)N1 W19298 [0,0,0,1,0,0|2,0,0]=3 51 B9R1.49 CN1CCNC(=O)CC1 Y10078 [0,0,0,1,0,0|2,0,0]=3 52 B9R1.50 O=C1NCCCCCN1 W17640 [0,0,0,1,0,0|3,0,0]=4 53 B9R1.69 CC1CC(=O)CCC1O Y10041 [0,0,0,1,0,0|3,0,0]=4 54 B9R1.73 CCOC(=N)C1CCC1 C13282 [0,0,0,1,0,0|2,0,0]=3 55 B6R0.6 CCOCCCBr A11082 [2,0,0,0,0,0|1,0,1]=4 56 B6R0.6 CCOCCON W15834 [2,0,0,0,0,0|1,1,0]=4 57 B6R0.6 CC\C=C/CCI 98107 [2,0,0,0,0,0|2,0,0]=4 58 B6R0.1 CCC[C@@H](Br)CC D78429 [2,0,0,0,0,0|1,0,1]=4 59 B6R0.1 CCNC(=O)CO 79517 [2,0,0,0,0,0|1,1,0]=4 60 B6R0.1 CNC(=O)CCN C75423 [2,0,0,0,0,0|2,0,0]=4 61 B6R0.1 CNC(=O)CCO AC6610 [2,0,0,0,0,0|1,1,0]=4 62 B6R0.1 CNC(=O)CCS A11187 [2,0,0,0,0,0|1,0,0]=3 63 B6R0.1 COC(=O)OCCl R10013 [2,0,0,0,0,0|1,1,0]=4 64 B6R0.4 CC(=O)CCC=O P17049 [2,0,0,0,0,0|2,0,0]=4 65 B6R0.4 CC(=O)CCCBr 25631 [2,0,0,0,0,0|2,0,0]=4 66 B6R0.4 CCOCC(=O)O D73862 [2,0,0,0,0,0|2,0,0]=4 67 B8R0.3 C=CC[C@H](N)C(=O)OC 50494 [1,1,0,0,0,0|1,0,1]=4 68 B8R0.3 C=CC[C@H](N)C(=O)OC 78270 [1,1,0,0,0,0|1,0,1]=4 69 B8R0.3 CCCC(=O)C(=O)OC T72754 [1,1,0,0,0,0|1,0,1]=4 70 B8R0.3 COC(=O)[C@@H](N)CCBr 52036 [1,1,0,0,0,0|2,0,0]=4 71 B8R0.3 COC[C@H](N)C(=O)OC C73433 [1,1,0,0,0,0|0,1,0]=3 72 B8R0.8 CCCCC(=O)[C@H](C)N C72970 [1,1,0,0,0,0|1,0,0]=3 73 B8R0.19 CC[C@H](N)CC(=O)OC N12944 [1,1,0,0,0,0|1,0,0]=3 74 B8R0.19 CC[C@H](O)CC(=O)OC C15791 [1,1,0,0,0,0|1,0,0]=3 75 B8R0.19 COC(=O)C[C@H](O)CCl A11858 [1,1,0,0,0,0|2,0,0]=4 76 B8R0.5 CCCC(=O)CC(C)=O 79568 [1,1,0,0,0,0|1,0,1]=4 77 B8R0.5 CCOC(=O)CC(=O)[O-] C15698 [1,1,0,0,0,0|0,1,1]=4 78 B8R0.5 CCOC(=O)C[C@H](C)N H10190 [1,1,0,0,0,0|0,0,0]=2 79 B8R0.5 COCC(=O)OC(C)C C11794 [1,1,0,0,0,0|0,1,0]=3 80 B10R0.28 CC(C)(C)OC(=O)CCCCl D83903 [0,2,0,0,0,0|2,0,0]=4 81 B10R0.28 CC(C)(C)OC(=O)CCCN C13415 [0,2,0,0,0,0|2,0,0]=4 82 B10R0.28 CCCNC(=O)OC(C)(C)C AB22355 [0,2,0,0,0,0|2,0,0]=4 83 B10R0.28 CCNCC(=O)OC(C)(C)C C10118 [0,2,0,0,0,0|2,0,0]=4 84 B10R0.1 CCCC(=O)OCCCSC 73858 [0,2,0,0,0,0|1,0,0]=3 85 B10R0.1 CCCCNCC(=O)OCC AB3730 [0,2,0,0,0,0|1,0,0]=3 86 B10R0.1 CCOC(=O)CNCCC#N AB7171 [0,2,0,0,0,0|1,0,1]=4 87 B10R0.1 CCOC(=O)CNCCC#N Y10514 [0,2,0,0,0,0|1,0,1]=4 88 B10R0.1 CCOC(=O)\C=C\CCCCl 58166 [0,2,0,0,0,0|1,0,1]=4 89 B10R0.3 C=C(C)CCCC(=O)OCC C75004 [0,2,0,0,0,0|1,0,0]=3 90 B10R0.3 CCOC(=O)CCC[N+](=O)[O-] Y14690 [0,2,0,0,0,0|2,0,0]=4 91 B10R0.3 CCOC(=O)\C=C\CN(C)C D80188 [0,2,0,0,0,0|1,0,1]=4 92 B10R0.19 C=CCC[C@H](N)C(=O)OCC W17088 [0,2,0,0,0,0|1,0,1]=4 93 B10R0.83 CCCCCC(=O)[C@@H](C)CC D84197 [0,2,0,0,0,0|2,0,0]=4 94 B10R0.91 CCCCNC(=O)OCCO D93331 [0,2,0,0,0,0|1,0,0]=3 95 B10R0.108 CCOC(=O)CCC(=O)CBr 79134 [0,2,0,0,0,0|1,0,0]=3 96 B10R0.108 CCOC(=O)CNC(=O)OC 74367 [0,2,0,0,0,0|0,1,1]=4 97 B10R0.108 CCOC(=O)NCC(=O)OC AB7223 [0,2,0,0,0,0|0,1,1]=4 98 B10R0.35 CCOC(=O)[C@@H](C)C(=O)CC AB10080 [0,2,0,0,0,0|1,0,1]=4 99 B10R0.35 CCOC(=O)[C@@H](N)[C@H](C)CC AC2330 [0,2,0,0,0,0|1,0,0]=3 100 B10R0.129 CCOC(=O)C(F)(F)CNC AC2283 [0,2,0,0,0,0|1,0,0]=3 101 B8R1.8 CCO[C@H]1CCNC1 P10149 [1,0,0,1,0,0|1,0,1]=4 102 B8R1.10 CCOCC1CNC1 D84845 [1,0,0,1,0,0|1,0,1]=4 103 B8R1.22 C[C@H]1CNCCCO1 72856 [1,0,0,1,0,0|1,0,1]=4 104 B8R1.1 C=C[C@@H]1COC(=O)C1 88423 [1,0,0,1,0,0|1,0,1]=4 105 B8R1.1 N#C[C@H]1CCC(=O)C1 D96674 [1,0,0,1,0,0|2,0,0]=4 106 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [1,0,0,1,0,0|2,0,0]=4 107 B8R1.3 C[C@H]1CCC(=O)NC1 P11593 [1,0,0,1,0,0|2,0,0]=4 108 B8R1.3 O=C1CCC(=O)OC1 P20160 [1,0,0,1,0,0|2,0,0]=4 109 B8R1.3 O=C1CCC(F)CC1 23163 [1,0,0,1,0,0|2,0,0]=4 110 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [1,0,0,1,0,0|2,0,0]=4 111 B8R1.38 CCC(=O)C1COC1 D79147 [1,0,0,1,0,0|0,1,0]=3 112 B8R1.38 CNC(=O)C1CNC1 P20515 [1,0,0,1,0,0|2,0,0]=4 113 B8R1.38 COC(=O)C1COC1 81275 [1,0,0,1,0,0|0,1,0]=3 114 B8R1.38 COC(=O)[C@@H]1CCN1 38788 [1,0,0,1,0,0|2,0,0]=4 115 B8R1.40 COC(=O)CC1CC1 28012 [1,0,0,1,0,0|1,0,0]=3 116 B8R1.4 C=C1CCCC(=O)O1 D93802 [1,0,0,1,0,0|0,0,2]=4 117 B8R1.4 CC1=CC(=O)OCC1 D93039 [1,0,0,1,0,0|0,0,2]=4 118 B8R1.4 CN1CCCC(=O)C1 S10664 [1,0,0,1,0,0|2,0,0]=4 119 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [1,0,0,1,0,0|2,0,0]=4 120 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [1,0,0,1,0,0|2,0,0]=4 121 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [1,0,0,1,0,0|2,0,0]=4 122 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [1,0,0,1,0,0|1,1,0]=4 123 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [1,0,0,1,0,0|1,0,0]=3 124 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [1,0,0,1,0,0|1,0,0]=3 125 B8R1.4 C[C@H]1CNCC(=O)N1 38273 [1,0,0,1,0,0|2,0,0]=4 126 B8R1.4 C[C@H]1CNCC(=O)N1 71648 [1,0,0,1,0,0|2,0,0]=4 127 B8R1.4 C[C@H]1CNCC(=O)N1 P10459 [1,0,0,1,0,0|2,0,0]=4 128 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [1,0,0,1,0,0|2,0,0]=4 129 B8R1.4 N[C@H]1CCNC(=O)C1 27397 [1,0,0,1,0,0|2,0,0]=4 130 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [1,0,0,1,0,0|1,1,0]=4 131 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [1,0,0,1,0,0|1,1,0]=4 132 B8R1.18 CC1=CC(=O)C[C@@H]1C C74561 [1,0,0,1,0,0|1,0,1]=4 133 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90245 [1,0,0,1,0,0|1,1,0]=4 134 B8R1.37 CCCC(=O)C1CC1 P18081 [1,0,0,1,0,0|1,0,0]=3 135 B8R1.37 CCOC(=O)[C@@H]1CO1 20558 [1,0,0,1,0,0|0,1,0]=3 136 B10R1.61 CC(C)[C@@H]1CNCCC1=O 20254 [0,1,0,1,0,0|2,0,0]=4 137 B10R1.11 CCOC(=O)C1=CCCC1 71128 [0,1,0,1,0,0|1,0,1]=4 138 B10R1.11 CCOC(=O)[C@H]1CCNC1 AC2254 [0,1,0,1,0,0|1,0,0]=3 139 B10R1.78 O=C1CCCCCCCC1 AC8766 [0,1,0,1,0,0|2,0,0]=4 140 B10R1.78 O=C1CCCCCCCN1 D74918 [0,1,0,1,0,0|2,0,0]=4 141 B10R1.135 CCOC(=O)C1CC1C#N A12647 [0,1,0,1,0,0|1,0,1]=4 142 B10R1.135 CCOC(=O)C1CC1CO F13437 [0,1,0,1,0,0|1,0,0]=3 143 B10R1.135 CCOC(=O)[C@@H]1C[C@@H]1C#N P16190 [0,1,0,1,0,0|1,0,1]=4 144 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1C#N P16387 [0,1,0,1,0,0|1,0,1]=4 145 B10R1.135 CCOC(=O)[C@H]1C[C@H]1CO F50050 [0,1,0,1,0,0|1,0,0]=3 146 B10R1.137 CCOC(=O)CC1CNC1 D80644 [0,1,0,1,0,0|1,0,0]=3 147 B10R1.137 CCOC(=O)CC1COC1 82536 [0,1,0,1,0,0|0,1,0]=3 148 B10R1.138 CCOC(=O)\C=C\C1CC1 W10675 [0,1,0,1,0,0|1,0,1]=4 149 B10R1.71 O=C1CCC(=O)OCCO1 D93050 [0,1,0,1,0,0|2,0,0]=4 150 B10R1.149 COC(=O)[C@@H]1CCOC1=O F31228 [0,1,0,1,0,0|0,1,1]=4 151 B10R1.181 CCOC(=O)CC1(N)CC1 P12553 [0,1,0,1,0,0|1,0,0]=3 152 B10R1.140 CCOC(=O)C1CC(Br)C1 P17727 [0,1,0,1,0,0|1,0,0]=3 153 B10R1.140 CCOC(=O)C1CC(N)C1 87719 [0,1,0,1,0,0|1,0,0]=3 154 B10R1.140 CCOC(=O)[C@H]1C[C@@H](N)C1 C77307 [0,1,0,1,0,0|1,0,0]=3 155 B10R1.140 CCOC(=O)[C@H]1C[C@@H](O)C1 P11948 [0,1,0,1,0,0|1,0,0]=3 156 B10R1.212 CCOC(=O)C(=O)C1CC1 D85551 [0,1,0,1,0,0|1,0,1]=4 157 B10R1.212 CCOC(=O)[C@@H](Br)C1CC1 38125 [0,1,0,1,0,0|1,0,0]=3 158 B10R1.401 CCOC(=O)C1(C)CCC1 F16289 [0,1,0,1,0,0|1,0,0]=3 159 B10R1.401 CCOC(=O)C1(F)CCC1 W16480 [0,1,0,1,0,0|1,0,0]=3 160 B10R1.302 CC1(C)CCNC(=O)CC1 W16051 [0,1,0,1,0,0|2,0,0]=4 161 B10R2.61 O=C1OC2C=CCC1C2 N13104 [0,0,0,2,0,0|1,0,1]=4 162 B10R2.62 O=C1CC2CCC1CC2 91055 [0,0,0,2,0,0|2,0,0]=4 163 B10R2.62 O=C1CC2CCC1CN2 P14923 [0,0,0,2,0,0|2,0,0]=4 164 B10R2.71 O=C1CC2CCC(C1)C2 37889 [0,0,0,2,0,0|2,0,0]=4 165 B10R2.2 O=C1NC2CCCC2O1 N10687 [0,0,0,2,0,0|2,0,0]=4 166 B10R2.32 O=C1CCC2CNCC12 P10378 [0,0,0,2,0,0|2,0,0]=4 167 B10R2.41 O=C1C2CCC1CNC2 P13354 [0,0,0,2,0,0|2,0,0]=4 168 B10R2.190 O=C1NCCC12CCC2 33677 [0,0,0,2,0,0|2,0,0]=4