0 B10R0.71 CCCCCCCCCC=O SBB058676 [0,0,0,0,0,0|0,0,4]=4 1 B10R0.71 CCCCCCCCNC=O SBB061176 [0,0,0,0,0,0|1,0,3]=4 2 B10R0.71 CCCCC\C=C\C=C\C=O SBB066368 [0,0,0,0,0,0|0,0,0]=0 3 B9R0.45 C(=O)\C=C\CCCCCC SBB006609 [1,0,0,0,0,0|0,0,1]=2 4 B9R0.45 C(=O)\C=C\CC\C=C/CC SBB006611 [1,0,0,0,0,0|0,0,3]=4 5 B9R0.45 C=CCCCCCCCC SBB058674 [1,0,0,0,0,0|0,0,3]=4 6 B9R0.45 CCCCCCCCC=O SBB059872 [1,0,0,0,0,0|0,0,3]=4 7 B9R0.45 CCCCCCCOC=O SBB060303 [1,0,0,0,0,0|1,0,2]=4 8 B11R0.3 CCCCCC\C=C\C=C\C=O SBB068342 [0,1,0,0,0,0|0,0,0]=1 9 B11R0.140 C\C=C\C=C\C(=O)OCCCC SBB007991 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.17 CCCOC1=CC=CC=C1C SBB060850 [0,0,0,1,0,0|2,0,1]=4 11 B11R1.17 CCCOC1=CC=CC=C1N SBB027936 [0,0,0,1,0,0|2,0,1]=4 12 B11R1.17 N#CCCN1C=CC=CC1=O SBB072331 [0,0,0,1,0,0|2,0,1]=4 13 B11R1.17 NCCCC1=CC=CC=C1Cl SBB010508 [0,0,0,1,0,0|2,0,1]=4 14 B11R1.17 NCCCN1C=CC=CC1=O SBB072557 [0,0,0,1,0,0|2,0,0]=3 15 B11R1.28 CCCCCC1=CC=CC=C1 SBB057141 [0,0,0,1,0,0|1,0,0]=2 16 B11R1.28 CCCCNC1=CC=CC=C1 SBB058812 [0,0,0,1,0,0|2,0,0]=3 17 B11R1.28 CCCCOC1=CC=CC=C1 SBB060061 [0,0,0,1,0,0|2,0,0]=3 18 B11R1.28 CCCNCC1=CC=CC=C1 SBB080024 [0,0,0,1,0,0|2,0,0]=3 19 B11R1.28 CCCOCC1=CC=CC=C1 SBB061197 [0,0,0,1,0,0|2,0,0]=3 20 B11R1.28 CCC\C=N\C1=CC=CC=C1 SBB055434 [0,0,0,1,0,0|2,0,1]=4 21 B11R1.28 CNCCOC1=CC=CC=C1 SBB027283 [0,0,0,1,0,0|3,0,0]=4 22 B11R1.28 COCCSC1=CC=CC=C1 SBB116878 [0,0,0,1,0,0|3,0,0]=4 23 B11R1.28 ClCCCOC1=CC=CC=C1 SBB300461 [0,0,0,1,0,0|3,0,0]=4 24 B11R1.28 ClCCNCC1=CC=CC=C1 SBB052393 [0,0,0,1,0,0|3,0,0]=4 25 B11R1.28 N#CCCCC1=NC=CC=C1 SBB018559 [0,0,0,1,0,0|2,0,1]=4 26 B11R1.28 NCCCCC1=NC=CC=C1 SBB018864 [0,0,0,1,0,0|2,0,0]=3 27 B11R1.28 NCCCOC1=CC=CC=C1 SBB043657 [0,0,0,1,0,0|3,0,0]=4 28 B11R1.28 NCCCSC1=CC=CC=C1 SBB071863 [0,0,0,1,0,0|3,0,0]=4 29 B11R1.28 NCCNCC1=CC=CC=C1 SBB028295 [0,0,0,1,0,0|3,0,0]=4 30 B11R1.28 NCCOCC1=CC=CC=C1 SBB050278 [0,0,0,1,0,0|3,0,0]=4 31 B11R1.28 NCCOCC1=CC=CC=C1 SBB055150 [0,0,0,1,0,0|3,0,0]=4 32 B11R1.28 NCCSCC1=CC=CC=C1 SBB003512 [0,0,0,1,0,0|3,0,0]=4 33 B11R1.28 OCCNCC1=CC=CC=C1 SBB004062 [0,0,0,1,0,0|3,0,0]=4 34 B11R1.28 OCCNCC1=NC=CC=C1 SBB110041 [0,0,0,1,0,0|3,0,0]=4 35 B11R1.28 OCCOCC1=CC=CC=C1 SBB063066 [0,0,0,1,0,0|3,0,0]=4 36 B11R1.28 OCCSCC1=CC=CC=C1 SBB058901 [0,0,0,1,0,0|3,0,0]=4 37 B11R1.41 CCOC1=CC=CC=C1C=O SBB040196 [0,0,0,1,0,0|1,0,2]=4 38 B8R0.4 C=CCCCCCCC SBB060474 [2,0,0,0,0,0|0,0,2]=4 39 B8R0.4 CCCCCCCC=O SBB059871 [2,0,0,0,0,0|0,0,2]=4 40 B8R0.4 CCCCCCNC=O SBB061175 [2,0,0,0,0,0|1,0,1]=4 41 B8R0.4 CCCCCCOC=O SBB060302 [2,0,0,0,0,0|1,0,1]=4 42 B8R0.4 CCCCC\C=C\C=O SBB068337 [2,0,0,0,0,0|0,0,0]=2 43 B10R1.4 CCCC1=CC=CC=C1N SBB085906 [1,0,0,1,0,0|1,0,1]=4 44 B10R1.4 CCCN1C=CC=CC1=O SBB008029 [1,0,0,1,0,0|1,0,0]=3 45 B10R1.5 CCCN1C=CN=C1C=O SBB080435 [1,0,0,1,0,0|2,0,0]=4 46 B10R1.5 CCCN1N=CC=C1C=O SBB022381 [1,0,0,1,0,0|2,0,0]=4 47 B10R1.17 CCCNC1=CC=CC=C1 SBB059800 [1,0,0,1,0,0|1,0,1]=4 48 B10R1.17 CCCOC1=CC=CC=C1 SBB061098 [1,0,0,1,0,0|1,0,1]=4 49 B10R1.17 CCNCC1=CC=CC=C1 SBB058765 [1,0,0,1,0,0|1,0,1]=4 50 B10R1.17 CCOCC1=CC=CC=C1 SBB061196 [1,0,0,1,0,0|1,0,1]=4 51 B10R1.17 CCSCC1=CC=CC=C1 SBB061362 [1,0,0,1,0,0|1,0,1]=4 52 B10R1.17 CNCCC1=NC=CC=C1 SBB017551 [1,0,0,1,0,0|2,0,0]=4 53 B10R1.17 CNCCC1=NC=CC=C1 SBB040053 [1,0,0,1,0,0|2,0,0]=4 54 B10R1.17 ClCCCC1=CC=CC=C1 SBB061361 [1,0,0,1,0,0|1,0,1]=4 55 B10R1.17 NCCCC1=CC=CC=C1 SBB028248 [1,0,0,1,0,0|1,0,1]=4 56 B10R1.17 NCCCC1=CC=CC=N1 SBB012768 [1,0,0,1,0,0|2,0,0]=4 57 B10R1.17 OCCCC1=CC=CC=C1 SBB061127 [1,0,0,1,0,0|1,0,1]=4 58 B10R1.20 CCC1=CC=CC=C1C=O SBB064652 [1,0,0,1,0,0|0,0,2]=4 59 B10R1.21 CNCCCC1=CC=CO1 SBB301605 [1,0,0,1,0,0|1,0,1]=4 60 B12R1.8 BrCCCOCC1=CC=CC=C1 SBB055279 [0,1,0,1,0,0|2,0,0]=4 61 B12R1.8 CCCCCOC1=CC=CC=C1 SBB060062 [0,1,0,1,0,0|1,0,0]=3 62 B12R1.8 CCCCOCC1=CC=CC=C1 SBB061154 [0,1,0,1,0,0|1,0,0]=3 63 B12R1.8 N(CCCC)CC1=CC=CC=C1 SBB006552 [0,1,0,1,0,0|1,0,0]=3 64 B12R1.8 NCCCNCC1=CC=CC=C1 SBB015090 [0,1,0,1,0,0|2,0,0]=4 65 B12R1.8 NCCCOCC1=CC=CC=C1 SBB072321 [0,1,0,1,0,0|2,0,0]=4 66 B12R1.8 OCCCNCC1=CC=CC=C1 SBB055297 [0,1,0,1,0,0|2,0,0]=4 67 B12R1.121 CCCOC1=CC=CC=C1C=O SBB001592 [0,1,0,1,0,0|0,0,2]=4 68 B12R1.267 CCCCOC1=C(N)C=CC=C1 SBB001578 [0,1,0,1,0,0|1,0,1]=4 69 B12R1.28 CCCCCC1=CC=CC(=O)O1 SBB008445 [0,1,0,1,0,0|0,0,0]=2 70 B12R1.1 CCCCCC1=CC=C(N)C=C1 SBB008338 [0,1,0,1,0,0|1,0,0]=3 71 B12R1.1 CCCCCC1=CC=C(O)C=C1 SBB059154 [0,1,0,1,0,0|1,0,0]=3 72 B12R1.1 CCCCOC1=CC=C(Br)C=C1 SBB008359 [0,1,0,1,0,0|2,0,0]=4 73 B12R1.1 CCCCOC1=CC=C(C)C=C1 SBB008351 [0,1,0,1,0,0|2,0,0]=4 74 B12R1.1 CCCCOC1=CC=C(Cl)C=C1 SBB061312 [0,1,0,1,0,0|2,0,0]=4 75 B12R1.1 CCCCOC1=CC=C(N)C=C1 SBB008295 [0,1,0,1,0,0|2,0,0]=4 76 B12R1.1 CCCCOC1=CC=C(O)C=C1 SBB058865 [0,1,0,1,0,0|2,0,0]=4 77 B12R1.1 CCCCSC1=CC=C(N)C=C1 SBB072787 [0,1,0,1,0,0|2,0,0]=4 78 B12R1.1 CCNCCC1=CC=C(C)C=C1 SBB052427 [0,1,0,1,0,0|2,0,0]=4 79 B12R1.382 CCCOC1=CC(C=O)=CC=C1 SBB009935 [0,1,0,1,0,0|1,0,1]=4 80 B12R1.30 CCCCC(=O)C1=CC=CC=C1 SBB064862 [0,1,0,1,0,0|1,0,1]=4 81 B12R1.30 CCCCC(O)C1=CC=CC=C1 SBB063387 [0,1,0,1,0,0|1,0,0]=3 82 B12R1.30 CCCNC(C)C1=CC=CC=C1 SBB005747 [0,1,0,1,0,0|2,0,0]=4 83 B12R1.30 CNCCC(O)C1=CC=CC=C1 SBB063260 [0,1,0,1,0,0|2,0,0]=4 84 B12R1.35 CCCCCC(=O)C1=CC=CO1 SBB008342 [0,1,0,1,0,0|0,0,1]=3 85 B12R1.35 CCCCCC(=O)C1=CC=CS1 SBB061352 [0,1,0,1,0,0|0,1,0]=3 86 B12R1.35 O=C(CCCCCl)C1=CC=CS1 SBB013607 [0,1,0,1,0,0|1,1,0]=4 87 B12R1.1631 CC1=CC=CC(=O)N1CCCN SBB072978 [0,1,0,1,0,0|2,0,0]=4 88 B12R1.252 CC(=O)CCC=C1CCCCC1 SBB088034 [0,1,0,1,0,0|0,0,2]=4 89 B12R1.252 CC(=O)CCCC1=CC=CC=N1 SBB018700 [0,1,0,1,0,0|1,0,1]=4 90 B12R1.252 CC(C)NCCC1=CC=CC=C1 SBB080102 [0,1,0,1,0,0|2,0,0]=4 91 B12R1.252 CC(N)CCCC1=CC=CC=C1 SBB010444 [0,1,0,1,0,0|1,0,0]=3 92 B12R1.255 CC(N)CCCCC1=CC=CO1 SBB017103 [0,1,0,1,0,0|0,0,2]=4 93 B12R1.386 CCCCN1N=CC=C1C(=O)O SBB022925 [0,1,0,1,0,0|2,0,0]=4 94 B12R2.2 C1=CC=C(C2CCCC2)C=C1 SBB060080 [0,0,0,2,0,0|1,0,0]=3 95 B12R2.2 C1=CC=C(C2CCCN2)C=C1 SBB056158 [0,0,0,2,0,0|2,0,0]=4 96 B12R2.2 C1=CC=C(C2CCNC2)C=C1 SBB010168 [0,0,0,2,0,0|2,0,0]=4 97 B12R2.2 C1=CN=C(C2CCCN2)C=C1 SBB050916 [0,0,0,2,0,0|2,0,0]=4 98 B12R2.2 C1=CSC(N2CCCCC2)=C1 SBB059081 [0,0,0,2,0,0|1,1,0]=4 99 B12R2.41 C1=CC2=C(C=C1)CCNCC2 SBB086557 [0,0,0,2,0,0|2,0,0]=4 100 B12R2.24 CC1CCC2=CC=CC=C2N1 SBB039108 [0,0,0,2,0,0|1,0,1]=4 101 B12R2.1081 NC1=C2CCCCC2=CC=C1 SBB004091 [0,0,0,2,0,0|1,0,1]=4 102 B12R2.1081 NC1CCCC2=C1C=CC=C2 SBB000241 [0,0,0,2,0,0|2,0,0]=4 103 B12R2.1081 NC1CCCC2=C1C=CC=C2 SBB028283 [0,0,0,2,0,0|2,0,0]=4 104 B12R2.1081 O=C1CCCC2=C1C=CC=C2 SBB066987 [0,0,0,2,0,0|0,0,2]=4 105 B12R2.1081 OC1=C2CCCCC2=CC=C1 SBB059308 [0,0,0,2,0,0|0,0,2]=4 106 B12R2.1081 OC1CCCC2=CC=CC=C21 SBB056331 [0,0,0,2,0,0|2,0,0]=4 107 B12R2.1 O=CC1=CN=C2CCCCN12 SBB052348 [0,0,0,2,0,0|2,0,0]=4 108 B12R2.27 OCC1CC1C2=CC=CC=C2 SBB084422 [0,0,0,2,0,0|2,0,0]=4 109 B12R2.2057 C1=CN=C(CNC2CC2)C=C1 SBB046556 [0,0,0,2,0,0|2,0,0]=4 110 B12R2.18 CC1CC2=CC=CC=C2C1=O SBB067570 [0,0,0,2,0,0|0,0,2]=4