0 B8R0.4 C#CCCCCCCO CS10833 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.4 CCCCCOCCO MC437002 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.4 CCCCNCCCC CS11229 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.4 OCCCCCCCBr CS13415 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.1 BrCCCCCCBr CS20550 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.1 C#CCCCCCO CS10705 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.1 C=CCCCCCBr CS19607 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.1 COCCOCCN MC431493 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.1 COCOCCC=O MC445436 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.1 N#CCCCCCBr MC41862 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.1 OCCCCCCBr CS14335 [1,0,0,0,0,0|1,0,2]=4 11 B7R0.1 [N-]=[N+]=NCCCC=O MC121280 [1,0,0,0,0,0|3,0,0]=4 12 B9R0.2 CCCCCCCC(=O)Cl MC40496 [0,1,0,0,0,0|1,0,0]=2 13 B9R0.2 CCCCCCOC(=O)Cl CS11449 [0,1,0,0,0,0|0,0,0]=1 14 B9R0.2 CCCSCCCC(=O)O MC112372 [0,1,0,0,0,0|2,0,0]=3 15 B9R0.2 NCCCCCCC(=O)O CS10138 [0,1,0,0,0,0|2,0,0]=3 16 B9R0.2 O=C(O)CCCCCCO CS10820 [0,1,0,0,0,0|2,0,0]=3 17 B9R0.5 CCCCCC(C)CCBr MC112329 [0,1,0,0,0,0|2,0,1]=4 18 B9R0.5 CCCCCC(C)CCO MC112328 [0,1,0,0,0,0|1,0,2]=4 19 B9R0.18 CCCCC(N)CCCC MC428161 [0,1,0,0,0,0|2,0,1]=4 20 B9R0.45 C#CCCCCCCCO MC424005 [0,1,0,0,0,0|2,0,1]=4 21 B9R0.45 C=COOOCCCCC MC438071 [0,1,0,0,0,0|2,0,0]=3 22 B9R0.45 CCCCCCCCNC CS15827 [0,1,0,0,0,0|2,0,1]=4 23 B9R0.45 ClCCCCCCCCCl CS20556 [0,1,0,0,0,0|2,0,1]=4 24 B9R0.45 OCCCCCCCCBr CS14609 [0,1,0,0,0,0|1,0,2]=4 25 B9R0.45 OCCCCCCCCO CS20567 [0,1,0,0,0,0|1,0,2]=4 26 B9R1.5 CN1CCCNCC1=O MC100103 [0,0,0,1,0,0|3,0,0]=4 27 B9R1.5 NC1CCCCNC1=O CS15569 [0,0,0,1,0,0|2,0,0]=3 28 B9R1.5 NC1CCCCNC1=O CS15816 [0,0,0,1,0,0|2,0,0]=3 29 B9R1.5 NC1CCCCNC1=O MC425745 [0,0,0,1,0,0|2,0,0]=3 30 B9R1.5 NC1CSCCNC1=O MC100169 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.8 Br[Zn]CC1CCCCC1 MC121338 [0,0,0,1,0,0|3,0,0]=4 32 B9R1.8 CCNC1CCCCC1 CS11778 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.8 CCOC1CCCNC1 CS13869 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.8 NCCC1CCCCC1 CS18358 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.8 NCCC1CCOCC1 MC20509 [0,0,0,1,0,0|2,0,1]=4 36 B9R1.8 O=CCN1CCOCC1 MC104422 [0,0,0,1,0,0|3,0,0]=4 37 B9R1.12 CCCCC1C=CC=C1 MC114482 [0,0,0,1,0,0|2,0,1]=4 38 B9R1.15 CCC1CNCCC1=O CS17950 [0,0,0,1,0,0|2,0,0]=3 39 B9R1.15 COC1CCCNC1=O CS12712 [0,0,0,1,0,0|2,0,0]=3 40 B9R1.15 N#CC1CCCCC1=O MC33325 [0,0,0,1,0,0|2,0,1]=4 41 B9R1.15 O=CC1=C(Cl)CCCC1 MC107245 [0,0,0,1,0,0|2,0,1]=4 42 B9R1.33 COCC1CCCC1=O MC106167 [0,0,0,1,0,0|2,0,0]=3 43 B9R1.33 O=C1CCCN1CCBr MC431361 [0,0,0,1,0,0|3,0,0]=4 44 B9R1.50 O=C1CCCCCCN1 CS21316 [0,0,0,1,0,0|1,0,0]=2 45 B6R0.6 BrCCCCCBr MC41886 [2,0,0,0,0,0|2,0,0]=4 46 B6R0.6 C#CCCCCO MC424004 [2,0,0,0,0,0|0,0,2]=4 47 B6R0.6 C=CCCCCCl MC427568 [2,0,0,0,0,0|1,0,1]=4 48 B6R0.6 C=CCCCCN MC111853 [2,0,0,0,0,0|1,0,1]=4 49 B6R0.6 C=CCCCCO CS10397 [2,0,0,0,0,0|0,0,2]=4 50 B6R0.6 C=COCCCN MC41859 [2,0,0,0,0,0|2,0,0]=4 51 B6R0.6 CCCOCCCl MC428009 [2,0,0,0,0,0|2,0,0]=4 52 B6R0.6 COCCCC=O MC111975 [2,0,0,0,0,0|1,0,0]=3 53 B6R0.6 COCCCCBr CS22933 [2,0,0,0,0,0|1,0,1]=4 54 B6R0.6 COCCCCCl MC428014 [2,0,0,0,0,0|1,0,1]=4 55 B6R0.6 FCCCCCBr CS14708 [2,0,0,0,0,0|2,0,0]=4 56 B6R0.6 NCCCCCN CS19074 [2,0,0,0,0,0|2,0,0]=4 57 B6R0.6 OCCCCCCl CS14778 [2,0,0,0,0,0|1,0,0]=3 58 B6R0.6 OCCCCCO CS20549 [2,0,0,0,0,0|1,0,0]=3 59 B6R0.6 OCCOCCO MC41893 [2,0,0,0,0,0|2,0,0]=4 60 B8R0.1 CCCC(C)CCCO MC112367 [1,1,0,0,0,0|0,0,2]=4 61 B8R0.6 CCCCCC(O)CCl MC114490 [1,1,0,0,0,0|1,0,1]=4 62 B8R0.7 CCCCCCB(O)O MC31067 [1,1,0,0,0,0|1,0,1]=4 63 B8R0.7 COCCOCC(=O)O MC10458 [1,1,0,0,0,0|2,0,0]=4 64 B8R0.7 CSCCCCC(=O)O MC112374 [1,1,0,0,0,0|1,0,0]=3 65 B8R0.7 NCCCCCC(=O)O CS13381 [1,1,0,0,0,0|1,0,0]=3 66 B8R0.7 O=C(O)CCCCCBr CS18405 [1,1,0,0,0,0|1,0,0]=3 67 B10R0.4 CCCCCC\C=C\B(O)O MC425764 [0,2,0,0,0,0|1,0,1]=4 68 B10R0.4 NCCOCCOCC(=O)O CS12154 [0,2,0,0,0,0|2,0,0]=4 69 B10R0.4 NCCOCCOCC(=O)O MC428319 [0,2,0,0,0,0|2,0,0]=4 70 B10R0.6 CCCCCC(C)CC(=O)O MC112327 [0,2,0,0,0,0|1,0,0]=3 71 B10R0.22 CCCCCCCS(=O)(=O)[O-] MC445021 [0,2,0,0,0,0|2,0,0]=4 72 B10R0.22 CCCCCCCS(=O)(=O)[O-] MC445027 [0,2,0,0,0,0|2,0,0]=4 73 B10R0.74 CCCCCCCC(=O)NO CS11097 [0,2,0,0,0,0|1,0,0]=3 74 B10R0.74 COC(=O)CCCCCCN CS14288 [0,2,0,0,0,0|2,0,0]=4 75 B10R0.75 CNCCCCC(N)C(=O)O MC437873 [0,2,0,0,0,0|2,0,0]=4 76 B10R0.71 C=CCCCCCCCCBr CS20576 [0,2,0,0,0,0|2,0,0]=4 77 B10R0.71 C=COOOCCCCCC MC437734 [0,2,0,0,0,0|1,0,0]=3 78 B8R1.2 BrCC1CCCCC1 CS19887 [1,0,0,1,0,0|1,0,1]=4 79 B8R1.2 BrCC1CCCOC1 MC102393 [1,0,0,1,0,0|1,0,1]=4 80 B8R1.2 Br[Zn]C1CCCCC1 MC121343 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.2 CCC1COCCN1 MC20812 [1,0,0,1,0,0|1,0,1]=4 82 B8R1.2 CCC1COCCN1 MC444040 [1,0,0,1,0,0|1,0,1]=4 83 B8R1.2 CCC1COCCN1 MC444061 [1,0,0,1,0,0|1,0,1]=4 84 B8R1.2 CCC1COCCN1 MC444269 [1,0,0,1,0,0|1,0,1]=4 85 B8R1.2 COC1CCCNC1 MC31194 [1,0,0,1,0,0|1,0,1]=4 86 B8R1.2 COC1CCCNC1 MC444290 [1,0,0,1,0,0|1,0,1]=4 87 B8R1.2 COC1CCNCC1 MC444354 [1,0,0,1,0,0|1,0,1]=4 88 B8R1.2 NCC1CCCCC1 MC20908 [1,0,0,1,0,0|1,0,1]=4 89 B8R1.2 NCC1CCCOC1 CS18439 [1,0,0,1,0,0|1,0,1]=4 90 B8R1.2 NCC1CCCOC1 MC105501 [1,0,0,1,0,0|1,0,1]=4 91 B8R1.2 NCC1CCCOC1 MC105502 [1,0,0,1,0,0|1,0,1]=4 92 B8R1.2 NNC1CCCCC1 MC442574 [1,0,0,1,0,0|2,0,0]=4 93 B8R1.2 NNC1CCCCC1 MC442575 [1,0,0,1,0,0|2,0,0]=4 94 B8R1.2 NOC1CCCCO1 CS17026 [1,0,0,1,0,0|2,0,0]=4 95 B8R1.2 O=CC1CCCCC1 MC20143 [1,0,0,1,0,0|0,0,0]=2 96 B8R1.2 O=CC1CCCOC1 MC442323 [1,0,0,1,0,0|1,0,0]=3 97 B8R1.2 O=CC1CCOCC1 MC445812 [1,0,0,1,0,0|1,0,0]=3 98 B8R1.2 O=CN1CCOCC1 CS11780 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.2 OCC1CCCCC1 MC20144 [1,0,0,1,0,0|0,0,2]=4 100 B8R1.2 OCC1CCCOC1 MC31058 [1,0,0,1,0,0|1,0,1]=4 101 B8R1.5 CC1CCNCC1=O MC105562 [1,0,0,1,0,0|1,0,0]=3 102 B8R1.5 CC1CNCCC1=O MC106748 [1,0,0,1,0,0|1,0,0]=3 103 B8R1.5 CC1COCCC1=O MC425868 [1,0,0,1,0,0|1,0,0]=3 104 B8R1.5 CN1CCNCC1=O CS17040 [1,0,0,1,0,0|2,0,0]=4 105 B8R1.5 CN1CCNCC1=O CS18390 [1,0,0,1,0,0|2,0,0]=4 106 B8R1.5 NC1CCCNC1=O MC106744 [1,0,0,1,0,0|2,0,0]=4 107 B8R1.5 O=C1CCCCC1=O CS20486 [1,0,0,1,0,0|1,0,1]=4 108 B8R1.5 O=C1CCNCC1Br MC106749 [1,0,0,1,0,0|2,0,0]=4 109 B8R1.5 O=C1NCCCC1Br CS14644 [1,0,0,1,0,0|2,0,0]=4 110 B8R1.5 O=C1NCCCC1O CS19689 [1,0,0,1,0,0|2,0,0]=4 111 B8R1.5 O=C1OCCCC1O CS16147 [1,0,0,1,0,0|1,0,0]=3 112 B8R1.8 COCC1CCCN1 CS20310 [1,0,0,1,0,0|1,0,1]=4 113 B8R1.8 COCC1CCNC1 MC104848 [1,0,0,1,0,0|1,0,1]=4 114 B8R1.8 COCC1CCNC1 MC105535 [1,0,0,1,0,0|1,0,1]=4 115 B8R1.8 ICCC1CCCC1 MC106254 [1,0,0,1,0,0|1,0,1]=4 116 B8R1.8 NCCC1CCCC1 CS15909 [1,0,0,1,0,0|1,0,1]=4 117 B8R1.11 N#CC1CCCC1=O CS20047 [1,0,0,1,0,0|1,0,1]=4 118 B8R1.11 O=C1NCCC1CO MC104392 [1,0,0,1,0,0|2,0,0]=4 119 B8R1.22 O=C1CCCNCC1 CS19096 [1,0,0,1,0,0|1,0,0]=3 120 B8R1.22 O=C1CCNCCN1 CS18857 [1,0,0,1,0,0|2,0,0]=4 121 B8R1.22 O=C1CCSCCN1 MC121122 [1,0,0,1,0,0|2,0,0]=4 122 B8R1.22 O=S1CCCNCC1 MC100495 [1,0,0,1,0,0|1,1,0]=4 123 B8R1.49 C1=CCCCCCC1 MC445004 [1,0,0,1,0,0|1,0,0]=3 124 B10R1.10 CCCC1CCCC(=O)C1 MC106166 [0,1,0,1,0,0|1,0,0]=3 125 B10R1.10 COCC1CCCC(=O)C1 MC106177 [0,1,0,1,0,0|2,0,0]=4 126 B10R1.18 O=C(O)CC1CCCCC1 CS10565 [0,1,0,1,0,0|1,0,0]=3 127 B10R1.18 O=C(O)CC1CCCNC1 CS15743 [0,1,0,1,0,0|2,0,0]=4 128 B10R1.18 O=C(O)CC1CCNCC1 CS10136 [0,1,0,1,0,0|2,0,0]=4 129 B10R1.18 O=C(O)CC1CCOCC1 CS19613 [0,1,0,1,0,0|2,0,0]=4 130 B10R1.61 CC(=O)C1CCCCC1=O CS21211 [0,1,0,1,0,0|1,0,1]=4 131 B10R1.61 CN1CCCCC1C(=O)O MC20434 [0,1,0,1,0,0|2,0,0]=4 132 B10R1.61 O=C(O)C1CCCCC1O CS21597 [0,1,0,1,0,0|2,0,0]=4 133 B10R1.64 CN1CCCC1CC(=O)O MC116521 [0,1,0,1,0,0|2,0,0]=4 134 B10R1.66 O=C(Cl)CCC1CCCC1 MC20931 [0,1,0,1,0,0|1,0,0]=3 135 B10R1.66 O=C(O)CCC1CCCN1 MC431310 [0,1,0,1,0,0|2,0,0]=4 136 B10R1.348 O=C(O)C1CCCCCC1 CS20527 [0,1,0,1,0,0|1,0,0]=3 137 B10R1.29 N#CCCC1CCCC1=O MC106173 [0,1,0,1,0,0|1,0,1]=4 138 B10R1.79 O=C1CCCC(=O)CCC1 MC102212 [0,1,0,1,0,0|1,0,1]=4 139 B10R1.4 CCCC1=CCCCC1=O MC106174 [0,1,0,1,0,0|1,0,1]=4 140 B10R1.4 O=C1COCCN1CCO MC110622 [0,1,0,1,0,0|2,0,0]=4 141 B10R1.4 O=CNC1CCCCC1=O MC106163 [0,1,0,1,0,0|1,0,1]=4 142 B10R1.17 CCCCN1CCOCC1 CS11768 [0,1,0,1,0,0|1,0,1]=4 143 B10R1.1 CN1CCC(CC=O)CC1 MC431131 [0,1,0,1,0,0|2,0,0]=4 144 B10R1.149 COC(=O)C1CCOC1=O MC431311 [0,1,0,1,0,0|1,0,1]=4 145 B10R2.178 O=C1CCC2CCC1N2 MC105539 [0,0,0,2,0,0|2,0,0]=4 146 B10R2.178 O=C1NCC2CCC1N2 MC105362 [0,0,0,2,0,0|2,0,0]=4 147 B10R2.62 O=C1CN2CCC1CC2 CS19608 [0,0,0,2,0,0|2,0,0]=4 148 B10R2.62 O=C1NC2CCC1CC2 MC444164 [0,0,0,2,0,0|1,0,0]=3 149 B10R2.32 O=C1NCC2CCNC12 MC103732 [0,0,0,2,0,0|2,0,0]=4 150 B10R2.99 O=CC1CC2CCC1C2 CS11804 [0,0,0,2,0,0|1,0,0]=3 151 B10R2.15 O=C1CNCCC12CC2 MC104891 [0,0,0,2,0,0|2,0,0]=4 152 B10R2.41 O=C1C2CCC1CNC2 MC102102 [0,0,0,2,0,0|2,0,0]=4