0 B9R0.45 CCCCCCCCCBr BBL010944 [0,0,0,0,0,0|1,0,1]=2 1 B9R0.45 CCCCCCCCCI BBL011365 [0,0,0,0,0,0|1,0,1]=2 2 B9R0.45 CCCCCCCCCN BBL027706 [0,0,0,0,0,0|1,0,1]=2 3 B9R0.45 NCCCCCCCCN BBL037236 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.4 CCCCCCCCCl BBL011474 [1,0,0,0,0,0|1,0,0]=2 5 B8R0.4 CCCCCCCCI BBL027322 [1,0,0,0,0,0|1,0,0]=2 6 B8R0.4 CCCCNCCCC BBL002913 [1,0,0,0,0,0|1,0,1]=3 7 B8R0.4 CCOCCCN=C=O BBL037673 [1,0,0,0,0,0|2,0,1]=4 8 B10R0.4 CCCCCCCCC(=O)O BBL027459 [0,1,0,0,0,0|0,0,0]=1 9 B10R0.4 CCCCCCCCN(C)C BBL011369 [0,1,0,0,0,0|2,0,0]=3 10 B10R0.71 CCCCCCCCCCBr BBL011376 [0,1,0,0,0,0|1,0,1]=3 11 B10R0.71 CCCCCNCCCCC BBL011445 [0,1,0,0,0,0|1,0,1]=3 12 B10R0.74 CCCCCCCC(=O)NN BBL016717 [0,1,0,0,0,0|2,0,1]=4 13 B10R0.74 CCCCCCCC(=O)OC BBL011470 [0,1,0,0,0,0|2,0,1]=4 14 B10R1.21 CCCCNC1CCCC1 BBL023373 [0,0,0,1,0,0|2,0,1]=4 15 B10R1.21 N#CCCCN1CCCC1 BBL027421 [0,0,0,1,0,0|2,0,1]=4 16 B7R0.1 C=CCCCCCC BBL027759 [2,0,0,0,0,0|0,0,1]=3 17 B7R0.1 CCCCCCCI BBL027321 [2,0,0,0,0,0|1,0,0]=3 18 B7R0.1 NCCCCCCN BBL027705 [2,0,0,0,0,0|2,0,0]=4 19 B9R0.2 CCCCCCCC(=O)Cl BBL011405 [1,1,0,0,0,0|0,0,0]=2 20 B9R0.2 CCCCCCCC(C)=O BBL011435 [1,1,0,0,0,0|0,0,0]=2 21 B9R0.2 NC(=O)CCNCCCO BBL022949 [1,1,0,0,0,0|2,0,0]=4 22 B9R0.18 CCCCC(=O)CCCC BBL011668 [1,1,0,0,0,0|0,0,2]=4 23 B11R0.30 CN(C)CCCNCCC(N)=O BBL023814 [0,2,0,0,0,0|2,0,0]=4 24 B11R0.30 O=C(O)CCCCCCC(=O)O BBL009289 [0,2,0,0,0,0|1,0,1]=4 25 B11R0.40 CCCCCCCCC(=O)NN BBL016680 [0,2,0,0,0,0|0,0,0]=2 26 B11R0.46 CCCCNC(=O)CCC(=O)O BBL036035 [0,2,0,0,0,0|1,0,1]=4 27 B11R0.148 CCCCCCCCCC(=O)Cl BBL011427 [0,2,0,0,0,0|0,0,0]=2 28 B11R0.148 CCCCCCCCCC(C)=O BBL011441 [0,2,0,0,0,0|0,0,0]=2 29 B11R0.148 CCCCCCCCOC(C)=O BBL027760 [0,2,0,0,0,0|0,0,0]=2 30 B11R0.3 CCCCCCCCCCCBr BBL010940 [0,2,0,0,0,0|1,0,1]=4 31 B9R1.5 O=C1NCCCCC1Br BBL029752 [1,0,0,1,0,0|2,0,0]=4 32 B9R1.8 C=CCN1CCCCC1 BBL011344 [1,0,0,1,0,0|1,0,1]=4 33 B9R1.8 CCCC1CCCCN1 BBL022356 [1,0,0,1,0,0|1,0,0]=3 34 B9R1.8 ClCCC1CCCCN1 BBL031438 [1,0,0,1,0,0|2,0,0]=4 35 B9R1.8 OCCC1CCCCN1 BBL027554 [1,0,0,1,0,0|1,0,1]=4 36 B9R1.12 CCCNC1CCCC1 BBL022960 [1,0,0,1,0,0|1,0,1]=4 37 B9R1.14 CCN1CCCC1CN BBL004461 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.15 CN1CCCCC1CO BBL027589 [1,0,0,1,0,0|1,0,1]=4 39 B9R1.15 O=CC1CCCCC1=O BBL032651 [1,0,0,1,0,0|1,0,1]=4 40 B9R1.33 NCCN1CCCC1=O BBL029475 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.33 O=C1CCCN1CCCl BBL028309 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.50 O=C1CCCCCCC1 BBL011399 [1,0,0,1,0,0|0,0,0]=2 43 B9R1.83 CCCCCCC1CO1 BBL027501 [1,0,0,1,0,0|0,0,1]=3 44 B9R1.83 CCCCOCC1CO1 BBL010943 [1,0,0,1,0,0|1,0,1]=4 45 B11R1.180 CCCCCC1=CCCC1=O BBL009816 [0,1,0,1,0,0|0,0,1]=3 46 B11R1.180 CCCCCC1CCCC1=O BBL028373 [0,1,0,1,0,0|0,0,0]=2 47 B11R1.180 CCCC\C=C1\CCCC1=O BBL028692 [0,1,0,1,0,0|0,0,1]=3 48 B11R1.199 CCOC(=O)C1CCCC1=O BBL020099 [0,1,0,1,0,0|1,0,1]=4 49 B11R1.27 CCCCCC1CCC(=O)O1 BBL027520 [0,1,0,1,0,0|0,0,0]=2 50 B11R1.86 CC(C)\C=C1/CCCCC1=O BBL028648 [0,1,0,1,0,0|0,0,2]=4 51 B11R1.91 O=C(O)CCC1CCCCC1 BBL001405 [0,1,0,1,0,0|0,0,0]=2 52 B11R1.91 O=C(O)CCN1CCCCC1 BBL001402 [0,1,0,1,0,0|1,0,0]=3 53 B11R1.91 O=C(O)CCN1CCNCC1 BBL029895 [0,1,0,1,0,0|2,0,0]=4 54 B11R1.91 O=C(O)CCN1CCOCC1 BBL004920 [0,1,0,1,0,0|2,0,0]=4 55 B11R1.172 O=C(O)COCC1CCCO1 BBL030835 [0,1,0,1,0,0|2,0,0]=4 56 B11R1.742 CC(C)CC1CCCCCN1 BBL021217 [0,1,0,1,0,0|1,0,1]=4 57 B11R1.742 O=C(O)CN1CCCCCC1 BBL012438 [0,1,0,1,0,0|1,0,0]=3 58 B11R1.28 N#CCCCN1CCCCC1 BBL027893 [0,1,0,1,0,0|1,0,1]=4 59 B11R2.2 C1CCC(C2CCCN2)C1 BBL020758 [0,0,0,2,0,0|1,0,1]=4