0 B7R0.4 CC(C)CCCCBr SBB008833 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.4 CC(C)OCCC#N SBB080430 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.4 CC(C)OCCCN SBB061717 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.4 CN(C)CCCC#N SBB072052 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.4 CN(C)CCCCN SBB008514 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.4 CNCCCN(C)C SBB052125 [0,0,0,0,0,0|4,0,0]=4 6 B7R0.4 COCCNC(C)C SBB302570 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.4 C=COCC(C)C SBB060157 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.4 CC(C)CN=C=S SBB017613 [1,0,0,0,0,0|0,0,0]=1 9 B6R0.4 CC(C)COC=O SBB061244 [1,0,0,0,0,0|1,1,1]=4 10 B6R0.4 CC(C)NCCN SBB048119 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.4 CC(C)NCCO SBB056428 [1,0,0,0,0,0|1,1,1]=4 12 B6R0.4 CC(C)OCCN SBB301616 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.4 CCCCC(C)O SBB061290 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.4 CCCCN(C)C SBB060243 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.4 CN(C)CCC#N SBB068380 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.4 CN(C)CCCN SBB028177 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.6 C#CCCCCC SBB067441 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.6 C=CCCCCC SBB059882 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.6 CCCCCC#N SBB060051 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.6 CCCCCCBr SBB059934 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.6 CCCCCCCl SBB059952 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.6 CCCCCCN SBB059984 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.6 CCCCCCO SBB059899 [1,0,0,0,0,0|1,1,1]=4 24 B6R0.6 CCCCCOC SBB061300 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.6 CCCCN=C=S SBB060985 [1,0,0,0,0,0|0,0,0]=1 26 B6R0.6 CCCCNC=O SBB060026 [1,0,0,0,0,0|0,1,2]=4 27 B6R0.6 CCCCOC=O SBB060300 [1,0,0,0,0,0|1,1,1]=4 28 B6R0.6 CCCCSC#N SBB056760 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.6 CCCCSCC SBB061178 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.6 COCCN=C=S SBB013663 [1,0,0,0,0,0|1,0,0]=2 31 B6R0.6 O=C=NCCCCl SBB068362 [1,0,0,0,0,0|1,1,0]=3 32 B8R0.7 CC#CCNCC(C)C SBB301373 [0,1,0,0,0,0|2,0,1]=4 33 B8R0.7 CC(C)CCCCCBr SBB054753 [0,1,0,0,0,0|2,0,1]=4 34 B8R0.7 CC(C)CNCCCO SBB301242 [0,1,0,0,0,0|1,1,1]=4 35 B8R0.7 CC(C)COCCC#N SBB061192 [0,1,0,0,0,0|2,0,1]=4 36 B8R0.7 CCCCNCC(C)C SBB059764 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.7 [NH2+](CCCC)CC(C)C SBB061643 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.28 CC(=O)OCCC(C)C SBB040873 [0,1,0,0,0,0|1,1,1]=4 39 B8R0.28 CC(C)CCCC(=O)O SBB072713 [0,1,0,0,0,0|1,1,1]=4 40 B8R1.4 CC1CCCC(C)C1 SBB061164 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.4 CC1CCCC(O)C1 SBB061310 [0,0,0,1,0,0|1,1,1]=4 42 B8R1.4 CC1CCNC(C)C1 SBB004310 [0,0,0,1,0,0|1,0,2]=4 43 B8R1.72 CC1(C)CCCNC1 SBB027276 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.72 CC1(C)CCOCO1 SBB060068 [0,0,0,1,0,0|1,1,1]=4 45 B5R0.1 CC(C)CCBr SBB061181 [2,0,0,0,0,0|1,0,0]=3 46 B5R0.1 CC(C)CCO SBB060162 [2,0,0,0,0,0|0,1,0]=3 47 B5R0.1 CC(C)CNN SBB042741 [2,0,0,0,0,0|1,0,1]=4 48 B5R0.1 CC(C)N=C=O SBB046976 [2,0,0,0,0,0|0,1,0]=3 49 B5R0.1 CC(C)N=C=S SBB056455 [2,0,0,0,0,0|0,0,0]=2 50 B5R0.1 CN(C)CCBr SBB073020 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.1 CN(C)CCN SBB007533 [2,0,0,0,0,0|1,0,1]=4 52 B5R0.1 [NH+](C)(C)CCCl SBB057087 [2,0,0,0,0,0|2,0,0]=4 53 B5R0.2 C=CCN=C=S SBB060631 [2,0,0,0,0,0|0,0,2]=4 54 B5R0.2 CCCCCBr SBB059933 [2,0,0,0,0,0|1,0,1]=4 55 B5R0.2 CCCCCCl SBB059951 [2,0,0,0,0,0|1,0,1]=4 56 B5R0.2 CCCN=C=S SBB060984 [2,0,0,0,0,0|0,0,0]=2 57 B5R0.2 O=C=NCCCl SBB054898 [2,0,0,0,0,0|1,1,0]=4 58 B7R0.3 CC(CN)CCCN SBB058625 [1,1,0,0,0,0|1,0,1]=4 59 B7R0.3 CCC(C)CN=C=S SBB085743 [1,1,0,0,0,0|0,0,0]=2 60 B7R0.3 S=C=NCC(Br)CBr SBB019321 [1,1,0,0,0,0|1,0,0]=3 61 B7R0.6 CC(C)CCC(=O)O SBB065829 [1,1,0,0,0,0|0,1,1]=4 62 B7R0.6 CC(C)CCC(C)N SBB008544 [1,1,0,0,0,0|1,0,1]=4 63 B7R0.6 CC(C)CCC(C)O SBB061318 [1,1,0,0,0,0|0,1,1]=4 64 B7R0.8 CNCCC(C)(C)C SBB080385 [1,1,0,0,0,0|0,0,2]=4 65 B7R0.1 CCCCCN=C=S SBB085742 [1,1,0,0,0,0|0,0,0]=2 66 B7R0.1 COCCCN=C=S SBB085786 [1,1,0,0,0,0|0,0,0]=2 67 B7R0.1 CSCCCN=C=S SBB066566 [1,1,0,0,0,0|0,0,0]=2 68 B7R0.7 CCOC(=O)N=C=S SBB066610 [1,1,0,0,0,0|1,0,1]=4 69 B7R0.7 COCC(C)N=C=S SBB059494 [1,1,0,0,0,0|1,0,0]=3 70 B7R1.3 CC1CC=CCC1 SBB060473 [1,0,0,1,0,0|1,0,1]=4 71 B7R1.3 CC1CCCCC1 SBB061163 [1,0,0,1,0,0|1,0,1]=4 72 B7R1.3 N1CCC(C)CC1 SBB027302 [1,0,0,1,0,0|0,0,2]=4 73 B7R1.3 N1CCCC(C)C1 SBB027301 [1,0,0,1,0,0|1,0,1]=4