0 B7R0.1 C=CCCCCCC BBL027759 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.1 CCCCCCCI BBL027321 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.1 CCCCCN=C=S BBL027805 [0,0,0,0,0,0|2,1,1]=4 3 B7R0.1 COCCNCC#N BBL031674 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.1 N#CCCNCCO BBL023284 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.1 N#CCCOCCCl BBL024982 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.1 NCCCCCCN BBL027705 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.1 NCCSSCCN BBL010640 [0,0,0,0,0,0|3,1,0]=4 8 B6R0.6 BrCCCCCBr BBL012205 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.6 CCCCCCBr BBL012217 [1,0,0,0,0,0|1,0,0]=2 10 B6R0.6 CCCCCCI BBL011465 [1,0,0,0,0,0|1,0,0]=2 11 B6R0.6 CCCCCCN BBL011106 [1,0,0,0,0,0|1,0,0]=2 12 B6R0.6 CCCCN=C=O BBL027371 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.6 CCCCOC=O BBL012218 [1,0,0,0,0,0|0,0,2]=3 14 B6R0.6 CCCNCCC BBL027756 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.6 CCOCCCN BBL027700 [1,0,0,0,0,0|1,0,0]=2 16 B6R0.6 NCCCCCN BBL027704 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.6 NCCNCCN BBL005239 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.6 NCCNCCO BBL027690 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.6 NCCOCCO BBL011501 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.6 NCCSCCO BBL028287 [1,0,0,0,0,0|1,1,0]=3 21 B8R0.4 CCCCCCCCCl BBL011474 [0,1,0,0,0,0|2,0,0]=3 22 B8R0.4 CCCCCCCCI BBL027322 [0,1,0,0,0,0|2,0,0]=3 23 B8R0.4 CCCCNCCCC BBL002913 [0,1,0,0,0,0|2,0,0]=3 24 B8R0.4 COCCNCCC#N BBL024553 [0,1,0,0,0,0|2,0,1]=4 25 B8R0.4 COCCNCCOC BBL011287 [0,1,0,0,0,0|2,0,0]=3 26 B8R0.6 CCCCCC(=O)CC BBL011431 [0,1,0,0,0,0|2,0,1]=4 27 B8R0.7 CC(C)CNCCCO BBL030005 [0,1,0,0,0,0|2,0,0]=3 28 B8R0.7 CCCCCCC(C)=O BBL011429 [0,1,0,0,0,0|1,0,2]=4 29 B8R0.7 O=C(O)CCCCCBr BBL012109 [0,1,0,0,0,0|2,0,1]=4 30 B8R1.2 BrCC1CCCCO1 BBL027774 [0,0,0,1,0,0|1,0,0]=2 31 B8R1.2 CCC1CCCCN1 BBL100012 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.2 ClCC1CCCCO1 BBL027598 [0,0,0,1,0,0|1,0,0]=2 33 B8R1.2 ClCC1COCCO1 BBL033753 [0,0,0,1,0,0|1,0,0]=2 34 B8R1.5 CC1CCCCC1=O BBL011421 [0,0,0,1,0,0|1,0,2]=4 35 B8R1.5 NC1CCCCC1N BBL027344 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.5 OC1CCCCC1O BBL027442 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.8 ClCCN1CCCC1 BBL005577 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.8 NCCN1CCCC1 BBL037752 [0,0,0,1,0,0|2,0,0]=3 39 B8R1.8 OCCN1CCCC1 BBL027420 [0,0,0,1,0,0|1,0,0]=2 40 B8R1.22 CN1CCCNCC1 BBL004956 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.22 O=C1CCCCCO1 BBL011394 [0,0,0,1,0,0|2,0,1]=4 42 B5R0.2 BrCCCCBr BBL027293 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.2 CCCCC=O BBL027632 [2,0,0,0,0,0|0,0,2]=4 44 B5R0.2 CCCCCN BBL011398 [2,0,0,0,0,0|1,0,0]=3 45 B5R0.2 CCNCCO BBL027409 [2,0,0,0,0,0|1,0,0]=3 46 B5R0.2 CCOCCBr BBL013472 [2,0,0,0,0,0|1,0,0]=3 47 B5R0.2 CNCCCN BBL011479 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.2 COCCCN BBL011597 [2,0,0,0,0,0|1,0,0]=3 49 B5R0.2 NCCCCN BBL027703 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.3 CCCCC(=O)CC BBL011476 [1,1,0,0,0,0|1,0,0]=3 51 B7R0.4 CCCCCC(C)=O BBL011381 [1,1,0,0,0,0|0,0,2]=4 52 B7R0.4 CCCCOC(=O)Cl BBL011392 [1,1,0,0,0,0|0,0,2]=4 53 B7R0.4 CCCOCC(=O)O BBL008506 [1,1,0,0,0,0|0,0,1]=3 54 B7R0.4 NCCCCC(=O)O BBL027702 [1,1,0,0,0,0|1,0,1]=4 55 B7R0.7 CCCC(=O)CCC BBL009715 [1,1,0,0,0,0|1,0,1]=4 56 B7R0.7 CCCC(N)CCC BBL003306 [1,1,0,0,0,0|1,0,0]=3 57 B7R0.7 CCOC(C)OCC BBL011492 [1,1,0,0,0,0|1,0,0]=3 58 B9R0.18 CCCCC(=O)CCCC BBL011668 [0,2,0,0,0,0|2,0,0]=4 59 B9R0.2 CCCCCCCC(=O)Cl BBL011405 [0,2,0,0,0,0|1,0,1]=4 60 B9R0.2 CCCCCCCC(C)=O BBL011435 [0,2,0,0,0,0|1,0,1]=4 61 B9R0.45 CCCCCCCCCBr BBL010944 [0,2,0,0,0,0|2,0,0]=4 62 B9R0.45 CCCCCCCCCI BBL011365 [0,2,0,0,0,0|2,0,0]=4 63 B9R0.45 CCCCCCCCCN BBL027706 [0,2,0,0,0,0|2,0,0]=4 64 B9R0.45 NCCCCCCCCN BBL037236 [0,2,0,0,0,0|2,0,0]=4 65 B9R0.46 CCCCCCC(=O)OC BBL011469 [0,2,0,0,0,0|1,0,1]=4 66 B7R1.1 BrCC1OCCO1 BBL027424 [1,0,0,1,0,0|1,0,0]=3 67 B7R1.1 CNC1CCSC1 BBL035010 [1,0,0,1,0,0|1,1,0]=4 68 B7R1.1 ClCC1OCCO1 BBL011357 [1,0,0,1,0,0|1,0,0]=3 69 B7R1.1 OCC1CCCN1 BBL021035 [1,0,0,1,0,0|1,0,0]=3 70 B7R1.3 NN1CCCCC1 BBL027587 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.3 NN1CCOCC1 BBL027563 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.3 O=C1CCOCC1 BBL027597 [1,0,0,1,0,0|1,0,1]=4 73 B7R1.3 OC1CCCCC1 BBL013186 [1,0,0,1,0,0|0,0,0]=2 74 B7R1.3 OC1COCOC1 BBL011466 [1,0,0,1,0,0|1,0,0]=3 75 B7R1.4 N[C@@H]1CSC[C@@H]1O BBL012757 [1,0,0,1,0,0|1,1,0]=4 76 B7R1.4 OC1COCC1O BBL029389 [1,0,0,1,0,0|1,0,0]=3 77 B7R1.7 CCCCC1CO1 BBL011099 [1,0,0,1,0,0|0,0,0]=2 78 B7R1.24 C1=CCOCOC1 BBL027429 [1,0,0,1,0,0|0,0,2]=4 79 B9R1.2 CN1CCCC(CO)C1 BBL027592 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.8 CCCC1CCCCN1 BBL022356 [0,1,0,1,0,0|2,0,0]=4 81 B9R1.8 ClCCC1CCCCN1 BBL031438 [0,1,0,1,0,0|2,0,0]=4 82 B9R1.8 NCCN1CCNCC1 BBL011596 [0,1,0,1,0,0|2,0,0]=4 83 B9R1.8 OCCC1CCCCN1 BBL027554 [0,1,0,1,0,0|1,0,0]=3 84 B9R1.12 CCCNC1CCCC1 BBL022960 [0,1,0,1,0,0|2,0,0]=4 85 B9R1.12 CNCCN1CCCC1 BBL030887 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.15 CN1CCCCC1CO BBL027589 [0,1,0,1,0,0|1,0,0]=3 87 B9R1.50 O=C1CCCCCCC1 BBL011399 [0,1,0,1,0,0|1,0,1]=4 88 B9R1.14 CCN1CCCC1CN BBL004461 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.83 CCCCCCC1CO1 BBL027501 [0,1,0,1,0,0|1,0,0]=3 90 B9R1.83 CCCCOCC1CO1 BBL010943 [0,1,0,1,0,0|0,0,0]=2 91 B9R1.89 BrCC1OCCCCO1 BBL028617 [0,1,0,1,0,0|1,0,0]=3 92 B9R1.1 CCC1CCC(N)CC1 BBL017866 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.11 CCC(C)C1CCCN1 BBL020739 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.6 CC(C)C1CCCCN1 BBL021290 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.6 CC(N)C1CCCCN1 BBL037755 [0,1,0,1,0,0|2,0,0]=4 96 B9R1.13 O=C(O)CN1CCCC1 BBL012295 [0,1,0,1,0,0|1,0,1]=4 97 B9R1.40 C[C@]1(O)CCOC[C@H]1O BBL033512 [0,1,0,1,0,0|0,0,0]=2 98 B9R1.85 CC(C)COCC1CO1 BBL028066 [0,1,0,1,0,0|2,0,0]=4