0 B7R0.1 C#CCNCCCC SBB300093 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.1 C=CCCCCCC SBB059884 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.1 C=CCNCC#CC SBB301263 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.1 C=CCNCCC#N SBB116759 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.1 C=CCSCCCC SBB058522 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.1 CCCC#CCCO SBB008799 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.1 CCCCCCC#N SBB060052 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.1 CCCCCCCBr SBB059936 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.1 CCCCCCCCl SBB059954 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.1 CCCCCCCN SBB059985 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.1 CCCCCCOC SBB061157 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.1 CCCCCOC=O SBB060301 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.1 CCCCNCCC SBB059822 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.1 CCCCOCCBr SBB007731 [0,0,0,0,0,0|2,1,1]=4 14 B7R0.1 CCCCOCCCl SBB059964 [0,0,0,0,0,0|2,1,1]=4 15 B7R0.1 CCCCOCCO SBB059918 [0,0,0,0,0,0|2,1,1]=4 16 B7R0.1 CCCCSCCN SBB072659 [0,0,0,0,0,0|2,0,1]=3 17 B7R0.1 CCCCSCCO SBB013616 [0,0,0,0,0,0|2,0,1]=3 18 B7R0.1 CCCCSCCS SBB057435 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.1 CCCNCCC#N SBB059761 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.1 CCCOCCCN SBB056585 [0,0,0,0,0,0|2,1,1]=4 21 B7R0.1 CCCSSCCC SBB058501 [0,0,0,0,0,0|0,0,2]=2 22 B7R0.1 COCCSCCO SBB061070 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.1 C\C=C\CCCCC SBB059885 [0,0,0,0,0,0|2,0,2]=4 24 B7R0.1 N#CCCSCCO SBB069588 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.1 NCCSSCCN SBB003325 [0,0,0,0,0,0|2,0,1]=3 26 B6R0.6 C#CCCCCC SBB067441 [1,0,0,0,0,0|1,0,2]=4 27 B6R0.6 C#CCNCC=C SBB301262 [1,0,0,0,0,0|1,0,2]=4 28 B6R0.6 C=CCCCCBr SBB054740 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.6 C=CCCCCC SBB059882 [1,0,0,0,0,0|1,0,0]=2 30 B6R0.6 C=CCNCC=C SBB060901 [1,0,0,0,0,0|1,0,2]=4 31 B6R0.6 C=CCOCCO SBB060194 [1,0,0,0,0,0|1,1,0]=3 32 B6R0.6 C=CCSCC=C SBB060116 [1,0,0,0,0,0|0,0,2]=3 33 B6R0.6 CCCCCC#N SBB060051 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.6 CCCCCCBr SBB059934 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.6 CCCCCCCl SBB059952 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.6 CCCCCCN SBB059984 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.6 CCCCCCO SBB059899 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.6 CCCCCOC SBB061300 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.6 CCCCNC=O SBB060026 [1,0,0,0,0,0|3,0,0]=4 40 B6R0.6 CCCCOC=O SBB060300 [1,0,0,0,0,0|2,1,0]=4 41 B6R0.6 CCCCSC#N SBB056760 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.6 CCCCSCC SBB061178 [1,0,0,0,0,0|1,0,1]=3 43 B6R0.6 CCCNCCC SBB059762 [1,0,0,0,0,0|1,0,2]=4 44 B6R0.6 CCCOCCO SBB061379 [1,0,0,0,0,0|1,1,1]=4 45 B6R0.6 CCCSCCC SBB061017 [1,0,0,0,0,0|0,0,2]=3 46 B6R0.6 CCCSCCO SBB058605 [1,0,0,0,0,0|1,0,1]=3 47 B6R0.6 CCC\C=C\C=O SBB067097 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.6 NCCSCCO SBB056468 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.6 OCCSCCO SBB060117 [1,0,0,0,0,0|2,0,1]=4 50 B8R0.1 C=CCOC(=O)CCC SBB061324 [0,1,0,0,0,0|1,1,0]=3 51 B8R0.4 C=CCCCCCCC SBB060474 [0,1,0,0,0,0|2,0,0]=3 52 B8R0.4 CCCCCCCC=O SBB059871 [0,1,0,0,0,0|2,0,1]=4 53 B8R0.4 CCCCCCNC=O SBB061175 [0,1,0,0,0,0|3,0,0]=4 54 B8R0.4 CCCCCCOC=O SBB060302 [0,1,0,0,0,0|3,0,0]=4 55 B8R0.4 CCCCC\C=C\C=O SBB068337 [0,1,0,0,0,0|2,0,1]=4 56 B8R0.4 CCCCSCCCC SBB060667 [0,1,0,0,0,0|1,0,2]=4 57 B8R0.4 C\C=C\CSCCCC SBB061594 [0,1,0,0,0,0|1,0,0]=2 58 B8R0.6 C=CCSCC(=O)OC SBB008000 [0,1,0,0,0,0|2,0,1]=4 59 B8R0.7 C=C(C)CSCCCC SBB061593 [0,1,0,0,0,0|1,0,0]=2 60 B8R0.7 CCCCCCC(=O)Cl SBB060012 [0,1,0,0,0,0|3,0,0]=4 61 B8R0.7 CCCCCCC(=O)O SBB053587 [0,1,0,0,0,0|3,0,0]=4 62 B8R0.7 CCCCCCC(C)=O SBB060387 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.7 CCCCSCC(=O)O SBB061205 [0,1,0,0,0,0|2,0,0]=3 64 B8R0.7 CCCNCCC(N)=O SBB116773 [0,1,0,0,0,0|3,0,0]=4 65 B8R1.2 C=CC1CC=CCC1 SBB059892 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.2 COC1C=CCCC1 SBB060461 [0,0,0,1,0,0|3,0,0]=4 67 B8R1.5 CC1CCCCC1=O SBB058517 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.8 C=CCC1CCCC1 SBB008872 [0,0,0,1,0,0|2,0,0]=3 69 B8R1.8 CCCC1=CC=CS1 SBB073407 [0,0,0,1,0,0|1,0,1]=3 70 B8R1.8 CCCC1=NC=CS1 SBB055797 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.8 CCCC1OCCS1 SBB056724 [0,0,0,1,0,0|2,0,1]=4 72 B8R1.8 CCCN1C=CC=N1 SBB024228 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.8 CCCN1C=CN=C1 SBB073424 [0,0,0,1,0,0|3,0,0]=4 74 B8R1.8 NCCC1=CC=CS1 SBB013250 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.8 NCCC1=CC=CS1 SBB013650 [0,0,0,1,0,0|2,0,1]=4 76 B8R1.8 OCCC1=CC=CS1 SBB062831 [0,0,0,1,0,0|2,0,1]=4 77 B8R1.22 O=C1CCCCCC1 SBB060075 [0,0,0,1,0,0|3,0,0]=4 78 B8R1.49 C1=CCCC=CCC1 SBB059891 [0,0,0,1,0,0|2,0,1]=4 79 B8R1.49 C1=CCCCCCC1 SBB059890 [0,0,0,1,0,0|2,0,0]=3 80 B5R0.2 C=COCCCl SBB061485 [2,0,0,0,0,0|1,1,0]=4 81 B5R0.2 C=COCCN SBB072719 [2,0,0,0,0,0|1,1,0]=4 82 B5R0.2 CCCCCBr SBB059933 [2,0,0,0,0,0|1,0,1]=4 83 B5R0.2 CCCCCCl SBB059951 [2,0,0,0,0,0|1,0,1]=4 84 B5R0.2 CCSCCN SBB017894 [2,0,0,0,0,0|1,0,1]=4 85 B5R0.2 CSCCCO SBB056451 [2,0,0,0,0,0|2,0,0]=4 86 B7R0.3 C=CC(O)CCCC SBB008778 [1,1,0,0,0,0|1,0,0]=3 87 B7R0.4 CCCCCC(=O)Cl SBB060011 [1,1,0,0,0,0|2,0,0]=4 88 B7R0.4 CCCCCC(=O)O SBB053586 [1,1,0,0,0,0|2,0,0]=4 89 B7R0.4 CCCCCC(C)=O SBB061125 [1,1,0,0,0,0|1,0,1]=4 90 B7R0.4 CCCCCC(N)=O SBB061056 [1,1,0,0,0,0|2,0,0]=4 91 B7R0.4 [NH2+]=C(N)SCCCC SBB060794 [1,1,0,0,0,0|2,0,0]=4 92 B9R0.5 C=CCOCC(O)CNC SBB027842 [0,2,0,0,0,0|1,1,0]=4 93 B9R0.2 CCCCSCCC(=O)O SBB001705 [0,2,0,0,0,0|1,0,1]=4 94 B9R0.45 C(=O)\C=C\CCCCCC SBB006609 [0,2,0,0,0,0|2,0,0]=4 95 B9R0.45 C=CCCCCCCCC SBB058674 [0,2,0,0,0,0|2,0,0]=4 96 B9R0.45 CCCCSSCCCC SBB060118 [0,2,0,0,0,0|0,0,2]=4 97 B9R0.55 CC(C)CSSCC(C)C SBB060845 [0,2,0,0,0,0|0,0,2]=4 98 B7R1.1 O=CC1CCCC1 SBB069481 [1,0,0,1,0,0|2,0,0]=4 99 B7R1.3 BrC1C=CCCC1 SBB007864 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.3 O=C1CCCCC1 SBB060074 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.3 O=C1CCSCC1 SBB048121 [1,0,0,1,0,0|2,0,0]=4 102 B7R1.24 C1=CCCCCC1 SBB059889 [1,0,0,1,0,0|1,0,0]=3 103 B9R1.8 C=CCN1CCNCC1 SBB010066 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.11 CCC(N)C1=CC=CS1 SBB018551 [0,1,0,1,0,0|1,0,1]=4 105 B9R1.13 CC(N)CC1=CC=CS1 SBB010287 [0,1,0,1,0,0|1,0,1]=4