0 B7R0.1 C#CCCCCCC 162800 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.1 C=CCCCCCC 200048 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.1 C=CCCCCNC 036092 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.1 CC#CCCCCC 162802 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.1 CCCCCCC#N 001020 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.1 CCCCCCC=O 520883 [0,0,0,0,0,0|2,1,1]=4 6 B7R0.1 CCCCCCCBr BR1073 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.1 CCCCCCCC 162200 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.1 CCCCCCCCl 106679 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.1 CCCCCCCF 003481 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.1 CCCCCCCI 243077 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.1 CCCCCCCN 099080 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.1 CCCCCCCO 101569 [0,0,0,0,0,0|2,1,1]=4 13 B7R0.1 CCCCCCNC 402340 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.1 CCCCCN=C=S 009557 [0,0,0,0,0,0|1,0,0]=1 15 B7R0.1 COCCCN=C=O 044446 [0,0,0,0,0,0|0,2,0]=2 16 B7R0.1 COCCCN=C=S 009515 [0,0,0,0,0,0|0,1,0]=1 17 B6R0.6 C#CCCCCC 144400 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.6 C=COCCCC 106580 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.6 CCCCCC#N 002444 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.6 CCCCCC=O 094968 [1,0,0,0,0,0|1,1,1]=4 21 B6R0.6 CCCCCCBr 098897 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.6 CCCCCCC 044743 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.6 CCCCCCC 099896 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.6 CCCCCCC 107019 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.6 CCCCCCC 995188 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.6 CCCCCCN 094631 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.6 CCCCCCO 349294 [1,0,0,0,0,0|1,1,1]=4 28 B6R0.6 CCCCCCS 145400 [1,0,0,0,0,0|1,0,2]=4 29 B6R0.6 CCCCCNC 056875 [1,0,0,0,0,0|1,0,2]=4 30 B6R0.6 CCCCN=C=O 102722 [1,0,0,0,0,0|0,1,0]=2 31 B6R0.6 CCCCN=C=S 008752 [1,0,0,0,0,0|0,0,0]=1 32 B6R0.6 CCCCNC=O 103559 [1,0,0,0,0,0|0,1,2]=4 33 B6R0.6 CCCCNCC 097790 [1,0,0,0,0,0|1,0,2]=4 34 B6R0.6 CNCCCCO 239842 [1,0,0,0,0,0|1,1,1]=4 35 B6R0.6 CNCCCNC 236622 [1,0,0,0,0,0|1,0,2]=4 36 B6R0.6 CNCCCOC 309894 [1,0,0,0,0,0|0,1,2]=4 37 B6R0.6 COCCCCBr 079657 [1,0,0,0,0,0|1,1,1]=4 38 B6R0.6 COCCCCO 236682 [1,0,0,0,0,0|0,2,1]=4 39 B6R0.6 COCCN=C=O 044433 [1,0,0,0,0,0|0,2,0]=3 40 B6R0.6 COCCN=C=S 009506 [1,0,0,0,0,0|0,1,0]=2 41 B6R0.6 CSCCCCO 035889 [1,0,0,0,0,0|0,1,1]=3 42 B6R0.6 O=C=NCCCCl 013917 [1,0,0,0,0,0|1,1,0]=3 43 B6R0.6 S=C=NCCCBr 008751 [1,0,0,0,0,0|1,0,0]=2 44 B6R0.6 S=C=NCCCCl 002535 [1,0,0,0,0,0|1,0,0]=2 45 B6R0.6 [N-]=[N+]=NCCCN 093907 [1,0,0,0,0,0|3,0,0]=4 46 B8R0.1 CCOC(=O)CN=C=S 008963 [0,1,0,0,0,0|2,0,1]=4 47 B8R0.4 CCCCCCN=C=S 008979 [0,1,0,0,0,0|1,0,0]=2 48 B8R0.4 CCOCCCN=C=O 043787 [0,1,0,0,0,0|0,2,0]=3 49 B8R0.4 CCOCCCN=C=S 025959 [0,1,0,0,0,0|0,1,0]=2 50 B8R0.4 S=C=NCCCN=C=S 009570 [0,1,0,0,0,0|1,0,1]=3 51 B8R0.6 COC(=O)CCN=C=S 009537 [0,1,0,0,0,0|0,1,1]=3 52 B8R1.8 O=C=NC1CCCC1 047100 [0,0,0,1,0,0|1,1,0]=3 53 B8R1.8 S=C=NC1CCCC1 002537 [0,0,0,1,0,0|1,0,0]=2 54 B8R1.22 S=C1CCCCCN1 099229 [0,0,0,1,0,0|1,0,2]=4 55 B5R0.2 C#CCCCC 098932 [2,0,0,0,0,0|1,0,1]=4 56 B5R0.2 C=CCCCC 098845 [2,0,0,0,0,0|1,0,1]=4 57 B5R0.2 C=CCN=C=S 018163 [2,0,0,0,0,0|0,0,2]=4 58 B5R0.2 CCCCC#N 386692 [2,0,0,0,0,0|1,0,1]=4 59 B5R0.2 CCCCC=O 094967 [2,0,0,0,0,0|0,1,1]=4 60 B5R0.2 CCCCC=O 106333 [2,0,0,0,0,0|0,1,1]=4 61 B5R0.2 CCCCCBr 098930 [2,0,0,0,0,0|1,0,1]=4 62 B5R0.2 CCCCCC 094916 [2,0,0,0,0,0|1,0,1]=4 63 B5R0.2 CCCCCC 099897 [2,0,0,0,0,0|1,0,1]=4 64 B5R0.2 CCCCCC 102229 [2,0,0,0,0,0|1,0,1]=4 65 B5R0.2 CCCCCC 102412 [2,0,0,0,0,0|1,0,1]=4 66 B5R0.2 CCCCCI 349297 [2,0,0,0,0,0|1,0,1]=4 67 B5R0.2 CCCCCN 099587 [2,0,0,0,0,0|1,0,1]=4 68 B5R0.2 CCCCCO 101568 [2,0,0,0,0,0|0,1,1]=4 69 B5R0.2 CCCCNC 098817 [2,0,0,0,0,0|0,0,2]=4 70 B5R0.2 CCCCNN 324841 [2,0,0,0,0,0|1,0,1]=4 71 B5R0.2 CCCC[Zn]Br 213843 [2,0,0,0,0,0|2,0,0]=4 72 B5R0.2 CCCN=C=S 009571 [2,0,0,0,0,0|0,0,0]=2 73 B5R0.2 CCC\C=N\O 099610 [2,0,0,0,0,0|0,1,1]=4 74 B5R0.2 CNCCCN 300980 [2,0,0,0,0,0|1,0,1]=4 75 B5R0.2 CNCCCO 239815 [2,0,0,0,0,0|1,1,0]=4 76 B5R0.2 COCCCBr 043598 [2,0,0,0,0,0|1,1,0]=4 77 B5R0.2 COCCCN 242837 [2,0,0,0,0,0|0,1,1]=4 78 B5R0.2 COCCCO 078666 [2,0,0,0,0,0|0,2,0]=4 79 B5R0.2 CSCCC=O 103329 [2,0,0,0,0,0|0,1,1]=4 80 B5R0.2 CSCCCN 103438 [2,0,0,0,0,0|0,0,1]=3 81 B5R0.2 CSCCCO 069294 [2,0,0,0,0,0|0,1,0]=3 82 B5R0.2 O=C=NCCBr 098505 [2,0,0,0,0,0|1,1,0]=4 83 B5R0.2 O=C=NCCCl 067807 [2,0,0,0,0,0|1,1,0]=4 84 B5R0.2 S=C=NCCCl 002532 [2,0,0,0,0,0|1,0,0]=3 85 B5R0.2 SCCCCS 102622 [2,0,0,0,0,0|0,0,2]=4 86 B5R0.2 [C-]#[N+]CCCC 021027 [2,0,0,0,0,0|0,0,2]=4 87 B7R0.3 COC(=O)CN=C=S 002598 [1,1,0,0,0,0|0,1,1]=4 88 B7R0.4 CCCCNC(N)=S 018343 [1,1,0,0,0,0|0,0,2]=4 89 B7R0.7 CCCC(C)N=C=S 009558 [1,1,0,0,0,0|0,0,0]=2 90 B7R0.7 CCOC(=O)N=C=S 002560 [1,1,0,0,0,0|1,0,1]=4 91 B9R0.5 CCCCCC(C)N=C=S 008976 [0,2,0,0,0,0|1,0,0]=3 92 B9R0.5 CCOC(=O)CCN=C=S 008967 [0,2,0,0,0,0|0,1,1]=4 93 B9R0.2 C[S@@](=O)CCCCN=C=S 195242 [0,2,0,0,0,0|0,0,1]=3 94 B9R0.45 CCCCCCCN=C=O 050930 [0,2,0,0,0,0|1,1,0]=4 95 B9R0.45 CCCCCCCN=C=S 008975 [0,2,0,0,0,0|1,0,0]=3 96 B7R1.4 CN1CCCC1=S 180035 [1,0,0,1,0,0|1,0,1]=4 97 B7R1.6 S=C=NC1CCC1 069011 [1,0,0,1,0,0|0,0,0]=2 98 B7R1.7 O=C=NCC1CC1 214423 [1,0,0,1,0,0|0,1,0]=3 99 B7R1.7 S=C=NCC1CC1 062552 [1,0,0,1,0,0|0,0,0]=2 100 B9R1.8 O=C=NC1CCCCC1 123400 [0,1,0,1,0,0|1,1,0]=4 101 B9R1.8 S=C=NC1CCCCC1 008784 [0,1,0,1,0,0|1,0,0]=3 102 B9R1.8 S=C=NC1CCOCC1 093900 [0,1,0,1,0,0|0,1,0]=3