0 B7R0.1 C=CCCCCCBr CS19607 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.1 COCOCCC=O MC445436 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.1 [N-]=[N+]=NCCCC=O MC121280 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 C=CCCCCCl MC427568 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.6 C=CCCCCN MC111853 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.6 C=CCCCCO CS10397 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.6 CCCOCCCl MC428009 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.6 COCCCC=O MC111975 [1,0,0,0,0,0|1,0,1]=3 8 B8R0.1 C#CCCC(=O)OCC MC424003 [0,1,0,0,0,0|2,0,1]=4 9 B8R0.1 CCOC(=O)CCCO MC111642 [0,1,0,0,0,0|1,0,2]=4 10 B8R0.1 CCOC(=O)CN=C=O MC41055 [0,1,0,0,0,0|2,0,1]=4 11 B8R0.1 CCOC(=O)\C=C\C=O CS11394 [0,1,0,0,0,0|1,0,2]=4 12 B8R0.7 CSCCCCC(=O)O MC112374 [0,1,0,0,0,0|1,0,2]=4 13 B8R0.7 NCCCCCC(=O)O CS13381 [0,1,0,0,0,0|1,0,2]=4 14 B8R0.7 O=C(O)CCCCCBr CS18405 [0,1,0,0,0,0|1,0,2]=4 15 B8R1.2 BrCC1=CCCCC1 MC103521 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.2 C=CC1CC=CCC1 MC115110 [0,0,0,1,0,0|1,0,0]=2 17 B8R1.2 CCC1=CC=CC=C1 MC41556 [0,0,0,1,0,0|1,0,2]=4 18 B8R1.2 CCC1=CC=CN=C1 CS22277 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.2 CCC1=NC=CN=C1 CS21534 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.2 O=CC1CCCCC1 MC20143 [0,0,0,1,0,0|0,0,2]=3 21 B8R1.2 O=CC1CCCOC1 MC442323 [0,0,0,1,0,0|1,0,1]=3 22 B8R1.2 O=CC1CCOCC1 MC445812 [0,0,0,1,0,0|1,0,1]=3 23 B8R1.2 O=CN1CCOCC1 CS11780 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.2 OCC1CCC=CO1 MC20505 [0,0,0,1,0,0|1,0,2]=4 25 B8R1.5 CC1CCNCC1=O MC105562 [0,0,0,1,0,0|1,0,2]=4 26 B8R1.5 CC1CNCCC1=O MC106748 [0,0,0,1,0,0|1,0,1]=3 27 B8R1.5 CC1COCCC1=O MC425868 [0,0,0,1,0,0|1,0,1]=3 28 B8R1.5 O=C1CCCC=C1I MC106097 [0,0,0,1,0,0|1,0,2]=4 29 B8R1.5 O=C1CCNCC1Br MC106749 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.8 O=CCC1=CC=CS1 CS17423 [0,0,0,1,0,0|1,0,2]=4 31 B8R1.11 CCC1=CNN=C1N CS14342 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.11 CN1C=CN=C1C=O CS17882 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.22 O=C1CCCNCC1 CS19096 [0,0,0,1,0,0|1,0,1]=3 34 B8R1.22 O=C1CCNCCN1 CS18857 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.22 O=C1CCSCCN1 MC121122 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.22 O=S1CCCNCC1 MC100495 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.49 C1=CCCC=CCC1 CS14877 [0,0,0,1,0,0|1,0,0]=2 38 B8R1.49 C1=CCCC=CCC1 MC115088 [0,0,0,1,0,0|1,0,0]=2 39 B8R1.49 C1=CCCC=CCC1 MC444943 [0,0,0,1,0,0|1,0,0]=2 40 B8R1.49 C1=CCCC=CCC1 MC444983 [0,0,0,1,0,0|1,0,0]=2 41 B8R1.49 C1=CCCC=CCC1 MC444992 [0,0,0,1,0,0|1,0,0]=2 42 B8R1.49 C1=CCCC=CCC1 MC444993 [0,0,0,1,0,0|1,0,0]=2 43 B8R1.49 C1=CCCC=CCC1 MC444996 [0,0,0,1,0,0|1,0,0]=2 44 B8R1.49 C1=CCCC=CCC1 MC444997 [0,0,0,1,0,0|1,0,0]=2 45 B8R1.49 C1=CCCC=CCC1 MC444998 [0,0,0,1,0,0|1,0,0]=2 46 B8R1.49 C1=CCCC=CCC1 MC445003 [0,0,0,1,0,0|1,0,0]=2 47 B8R1.49 C1=CCCC=CCC1 MC445012 [0,0,0,1,0,0|1,0,0]=2 48 B8R1.49 C1=CCCCCCC1 MC445004 [0,0,0,1,0,0|1,0,1]=3 49 B5R0.2 C=CCCON MC110761 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.2 C=CCC[Zn]Br MC121337 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.2 CCCCCBr CS20657 [2,0,0,0,0,0|1,0,1]=4 52 B5R0.2 CCCC[Zn]Br MC121334 [2,0,0,0,0,0|2,0,0]=4 53 B5R0.2 CCOCCBr CS21396 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.2 CCOCCCl MC428008 [2,0,0,0,0,0|2,0,0]=4 55 B5R0.2 C\C=C\C[Pd]Cl MC444919 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.2 ClC\C=C\CCl MC10276 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.2 ClC\C=C\CCl MC10277 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.2 OC\C=C\CCl MC10262 [2,0,0,0,0,0|1,0,1]=4 59 B5R0.2 OC\C=C\CO MC41968 [2,0,0,0,0,0|1,0,1]=4 60 B5R0.2 OC\C=C\CO MC424009 [2,0,0,0,0,0|1,0,1]=4 61 B7R0.3 COC(=O)CCC=O MC21172 [1,1,0,0,0,0|1,0,0]=3 62 B7R0.4 CC(=O)CCCCBr CS10627 [1,1,0,0,0,0|1,0,1]=4 63 B7R0.4 CCCOCC(=O)O MC425744 [1,1,0,0,0,0|1,0,1]=4 64 B7R0.4 CCC\C=C\C(C)=O MC20875 [1,1,0,0,0,0|0,0,2]=4 65 B7R0.4 CCO\C=C\C(=O)Cl MC425808 [1,1,0,0,0,0|1,0,1]=4 66 B7R0.4 CCO\C=C\C(=O)Cl MC427603 [1,1,0,0,0,0|1,0,1]=4 67 B7R0.4 CCO\C=C\C(=O)O CS22271 [1,1,0,0,0,0|1,0,1]=4 68 B7R0.4 C\C=C\C=C\C(=O)[O-] CS11961 [1,1,0,0,0,0|0,0,2]=4 69 B7R0.4 NCCCCC(=O)O MC428108 [1,1,0,0,0,0|1,0,1]=4 70 B7R0.4 O=C(O)CCCCBr MC41866 [1,1,0,0,0,0|1,0,1]=4 71 B7R0.7 CCOC(=O)CCN CS14330 [1,1,0,0,0,0|2,0,0]=4 72 B9R0.48 CCCC(C)CCC(=O)O MC112366 [0,2,0,0,0,0|0,0,2]=4 73 B9R0.48 CCOC(=O)CCC(=O)Cl MC40471 [0,2,0,0,0,0|1,0,0]=3 74 B9R0.48 CCOC(=O)CCC(=O)O CS11693 [0,2,0,0,0,0|1,0,0]=3 75 B9R0.48 CCOC(=O)CC[N+](=O)[O-] MC442447 [0,2,0,0,0,0|2,0,0]=4 76 B9R0.48 CCOC(=O)CNC(C)=O MC439004 [0,2,0,0,0,0|2,0,0]=4 77 B9R0.2 CCCCCCCC(=O)Cl MC40496 [0,2,0,0,0,0|0,0,2]=4 78 B9R0.2 CCCCCCOC(=O)Cl CS11449 [0,2,0,0,0,0|0,0,2]=4 79 B9R0.2 CCCSCCCC(=O)O MC112372 [0,2,0,0,0,0|0,0,2]=4 80 B9R0.2 NCCCCCCC(=O)O CS10138 [0,2,0,0,0,0|0,0,2]=4 81 B9R0.2 O=C(O)CCCCCCO CS10820 [0,2,0,0,0,0|0,0,2]=4 82 B9R0.1 NCC(=O)NCCC(=O)O MC435044 [0,2,0,0,0,0|2,0,0]=4 83 B9R0.47 NC\C=C\CC(N)C(=O)O MC436933 [0,2,0,0,0,0|1,0,0]=3 84 B7R1.1 O=CC1=CCCC1 CS12865 [1,0,0,1,0,0|0,0,2]=4 85 B7R1.1 O=CC1CCCC1 MC21048 [1,0,0,1,0,0|0,0,1]=3 86 B7R1.1 OCC1CC=CC1 CS20734 [1,0,0,1,0,0|0,0,2]=4 87 B7R1.3 CN1CC=CCC1 CS20742 [1,0,0,1,0,0|1,0,1]=4 88 B7R1.3 O=C1C=CCCC1 MC41883 [1,0,0,1,0,0|0,0,2]=4 89 B7R1.3 O=C1CCCCN1 MC429045 [1,0,0,1,0,0|1,0,1]=4 90 B7R1.3 O=C1CCCCO1 CS11208 [1,0,0,1,0,0|1,0,1]=4 91 B7R1.3 O=C1CCCNC1 CS14768 [1,0,0,1,0,0|1,0,1]=4 92 B7R1.3 O=C1CCCNC1 CS17767 [1,0,0,1,0,0|1,0,1]=4 93 B7R1.3 O=C1CCCOC1 MC31097 [1,0,0,1,0,0|1,0,1]=4 94 B7R1.3 O=C1CCNCC1 CS22790 [1,0,0,1,0,0|1,0,0]=3 95 B7R1.3 O=C1CCOCC1 CS13380 [1,0,0,1,0,0|1,0,0]=3 96 B7R1.3 O=C1CCSCC1 CS18797 [1,0,0,1,0,0|1,0,0]=3 97 B7R1.4 CC1OCCC1=O CS14135 [1,0,0,1,0,0|1,0,0]=3 98 B7R1.4 CN1CCCC1=O MC41699 [1,0,0,1,0,0|1,0,1]=4 99 B7R1.4 CN1N=CCC1=O CS15601 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.4 O=C1CCC=C1O CS14654 [1,0,0,1,0,0|1,0,0]=3 101 B7R1.4 O=C1CCCC1Br MC445112 [1,0,0,1,0,0|1,0,1]=4 102 B7R1.8 O=C1CCC1CO MC104211 [1,0,0,1,0,0|1,0,1]=4 103 B7R1.8 O=C1CCC1CO MC104212 [1,0,0,1,0,0|1,0,1]=4 104 B7R1.8 O=C1CCC1CO MC104213 [1,0,0,1,0,0|1,0,1]=4 105 B9R1.7 CCOC1=CC(=O)CC1 MC425592 [0,1,0,1,0,0|1,0,0]=3 106 B9R1.8 O=CCN1CCOCC1 MC104422 [0,1,0,1,0,0|1,0,1]=4 107 B9R1.15 CCC1CNCCC1=O CS17950 [0,1,0,1,0,0|0,0,2]=4 108 B9R1.33 COCC1CCCC1=O MC106167 [0,1,0,1,0,0|0,0,2]=4 109 B9R1.33 O=C1CCCN1CCBr MC431361 [0,1,0,1,0,0|1,0,1]=4 110 B9R1.49 CN1CCCC(=O)CC1 CS13899 [0,1,0,1,0,0|1,0,1]=4 111 B9R1.50 O=C1CCCCCCN1 CS21316 [0,1,0,1,0,0|0,0,2]=4 112 B9R1.14 CCN1C=CN=C1C=O CS13816 [0,1,0,1,0,0|1,0,1]=4 113 B9R1.1 O=CC1CCC(=O)CC1 MC112097 [0,1,0,1,0,0|0,0,1]=3 114 B9R1.3 CC1C(=O)CCCC1=O CS10132 [0,1,0,1,0,0|0,0,1]=3 115 B9R1.3 CN1C(=O)CCCC1=O MC446647 [0,1,0,1,0,0|1,0,1]=4 116 B9R1.6 CC(=O)C1C=CCCC1 MC430670 [0,1,0,1,0,0|0,0,2]=4 117 B9R1.6 CC(=O)C1CC=CCC1 MC430669 [0,1,0,1,0,0|0,0,0]=2 118 B9R1.6 CC(=O)C1CCOCC1 CS13055 [0,1,0,1,0,0|1,0,1]=4 119 B9R1.6 NC(=O)C1CCCNC1 CS18298 [0,1,0,1,0,0|1,0,1]=4 120 B9R1.6 NC(=O)C1CCCNC1 MC103934 [0,1,0,1,0,0|1,0,1]=4 121 B9R1.6 NC(=O)C1CCCNC1 MC105293 [0,1,0,1,0,0|1,0,1]=4 122 B9R1.6 NC(=O)C1CCNCC1 CS22309 [0,1,0,1,0,0|1,0,1]=4 123 B9R1.6 O=C(O)C1CC=CCC1 MC20590 [0,1,0,1,0,0|0,0,0]=2 124 B9R1.6 O=C(O)C1CC=CCC1 MC20996 [0,1,0,1,0,0|0,0,0]=2 125 B9R1.6 O=C(O)C1CCCCC1 CS16426 [0,1,0,1,0,0|0,0,2]=4 126 B9R1.6 O=C(O)C1CCCNC1 CS12538 [0,1,0,1,0,0|1,0,1]=4 127 B9R1.6 O=C(O)C1CCCNC1 CS22802 [0,1,0,1,0,0|1,0,1]=4 128 B9R1.6 O=C(O)C1CCCNC1 CS22806 [0,1,0,1,0,0|1,0,1]=4 129 B9R1.6 O=C(O)C1CCCOC1 CS18526 [0,1,0,1,0,0|1,0,1]=4 130 B9R1.6 O=C(O)C1CCCSC1 MC113062 [0,1,0,1,0,0|1,0,1]=4 131 B9R1.6 O=C(O)C1CCNCC1 CS15208 [0,1,0,1,0,0|1,0,1]=4 132 B9R1.6 O=C(O)C1CCNCC1 CS22807 [0,1,0,1,0,0|1,0,1]=4 133 B9R1.6 O=C(O)C1CCOCC1 CS18392 [0,1,0,1,0,0|1,0,1]=4 134 B9R1.6 O=C([O-])C1CCC=CO1 MC115190 [0,1,0,1,0,0|1,0,0]=3 135 B9R1.13 O=C(O)CC1CCCC1 MC112805 [0,1,0,1,0,0|0,0,2]=4 136 B9R1.13 O=C(O)CC1CCCN1 MC106679 [0,1,0,1,0,0|1,0,1]=4 137 B9R1.13 O=C(O)CC1CCNC1 MC104574 [0,1,0,1,0,0|1,0,1]=4 138 B9R1.13 O=C(O)CC1CCNC1 MC105475 [0,1,0,1,0,0|1,0,1]=4 139 B9R1.13 O=C(O)CC1CCOC1 CS20367 [0,1,0,1,0,0|1,0,1]=4 140 B9R1.40 CC1(C)COCCC1=O CS16380 [0,1,0,1,0,0|1,0,1]=4 141 B9R2.39 O=C1NC2C=CC1C2 CS19496 [0,0,0,2,0,0|1,0,0]=3 142 B9R2.39 O=C1NC2C=CC1C2 CS19497 [0,0,0,2,0,0|1,0,0]=3 143 B9R2.109 O=C1CCCC2CC12 MC102253 [0,0,0,2,0,0|0,0,2]=4