0 B6R0.6 BrCCCCCBr BBL012205 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.6 CCCCCCBr BBL012217 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.6 CCCCCCI BBL011465 [0,0,0,0,0,0|1,0,0]=1 3 B6R0.6 CCCCCCN BBL011106 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.6 CCCCN=C=O BBL027371 [0,0,0,0,0,0|1,1,1]=3 5 B6R0.6 CCCCOC=O BBL012218 [0,0,0,0,0,0|1,1,1]=3 6 B6R0.6 CCCNCCC BBL027756 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.6 CCOCCCN BBL027700 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.6 COCCN=C=S BBL011963 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.6 NCCCCCN BBL027704 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.6 NCCNCCN BBL005239 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.6 NCCNCCO BBL027690 [0,0,0,0,0,0|2,1,0]=3 12 B6R0.6 NCCOCCO BBL011501 [0,0,0,0,0,0|2,1,0]=3 13 B6R0.6 NCCSCCO BBL028287 [0,0,0,0,0,0|2,1,0]=3 14 B5R0.2 BrCCCCBr BBL027293 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.2 CCCCC=O BBL027632 [1,0,0,0,0,0|0,1,1]=3 16 B5R0.2 CCCCCN BBL011398 [1,0,0,0,0,0|1,0,0]=2 17 B5R0.2 CCNCCO BBL027409 [1,0,0,0,0,0|1,1,0]=3 18 B5R0.2 CCOCCBr BBL013472 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.2 CNCCC#N BBL011478 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.2 CNCCCN BBL011479 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.2 COCCCN BBL011597 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.2 NCCCCN BBL027703 [1,0,0,0,0,0|2,0,0]=3 23 B7R0.1 C=CCCCCCC BBL027759 [0,1,0,0,0,0|1,0,0]=2 24 B7R0.1 CCCCCCCI BBL027321 [0,1,0,0,0,0|1,0,0]=2 25 B7R0.1 CCCCCN=C=S BBL027805 [0,1,0,0,0,0|0,0,2]=3 26 B7R0.1 COCCCN=C=O BBL037672 [0,1,0,0,0,0|1,1,1]=4 27 B7R0.1 COCCCN=C=S BBL027870 [0,1,0,0,0,0|1,0,2]=4 28 B7R0.1 COCCNCC#N BBL031674 [0,1,0,0,0,0|2,0,1]=4 29 B7R0.1 N#CCCNCCO BBL023284 [0,1,0,0,0,0|1,1,1]=4 30 B7R0.1 N#CCCOCCCl BBL024982 [0,1,0,0,0,0|2,0,1]=4 31 B7R0.1 NCCCCCCN BBL027705 [0,1,0,0,0,0|1,0,0]=2 32 B7R0.1 NCCSSCCN BBL010640 [0,1,0,0,0,0|3,0,0]=4 33 B7R0.3 CCCCC(=O)CC BBL011476 [0,1,0,0,0,0|1,0,1]=3 34 B7R0.3 CCCCC(=O)NN BBL027902 [0,1,0,0,0,0|2,0,1]=4 35 B7R0.3 CNC(=O)CCCN BBL022745 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.3 COC(=O)CCCCl BBL011535 [0,1,0,0,0,0|2,0,1]=4 37 B7R0.4 C=CCNCC(C)C BBL000393 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.4 CCCCCC(C)=O BBL011381 [0,1,0,0,0,0|0,1,1]=3 39 B7R0.4 CCCCOC(=O)Cl BBL011392 [0,1,0,0,0,0|1,1,1]=4 40 B7R0.4 CCCOCC(=O)O BBL008506 [0,1,0,0,0,0|1,1,1]=4 41 B7R0.4 NCCCCC(=O)O BBL027702 [0,1,0,0,0,0|1,1,1]=4 42 B7R0.7 CCCC(=O)CCC BBL009715 [0,1,0,0,0,0|1,0,1]=3 43 B7R0.7 CCCC(N)CCC BBL003306 [0,1,0,0,0,0|1,0,0]=2 44 B7R0.7 CCNC(=O)CCCl BBL037203 [0,1,0,0,0,0|2,0,1]=4 45 B7R0.7 CCOC(C)OCC BBL011492 [0,1,0,0,0,0|3,0,0]=4 46 B7R1.1 BrCC1OCCO1 BBL027424 [0,0,0,1,0,0|2,1,0]=4 47 B7R1.1 CNC1CCSC1 BBL035010 [0,0,0,1,0,0|3,0,0]=4 48 B7R1.1 ClCC1OCCO1 BBL011357 [0,0,0,1,0,0|2,1,0]=4 49 B7R1.1 OCC1CCCN1 BBL021035 [0,0,0,1,0,0|1,1,0]=3 50 B7R1.3 NN1CCCCC1 BBL027587 [0,0,0,1,0,0|2,0,0]=3 51 B7R1.3 NN1CCOCC1 BBL027563 [0,0,0,1,0,0|3,0,0]=4 52 B7R1.3 O=C1CCCCN1 BBL027557 [0,0,0,1,0,0|1,1,1]=4 53 B7R1.3 O=C1CCOCC1 BBL027597 [0,0,0,1,0,0|1,1,1]=4 54 B7R1.3 OC1CCCCC1 BBL013186 [0,0,0,1,0,0|0,1,0]=2 55 B7R1.3 OC1COCOC1 BBL011466 [0,0,0,1,0,0|2,1,0]=4 56 B7R1.3 SC1=NCCCN1 BBL027546 [0,0,0,1,0,0|2,0,1]=4 57 B7R1.4 N[C@@H]1CSC[C@@H]1O BBL012757 [0,0,0,1,0,0|2,1,0]=4 58 B7R1.4 OC1COCC1O BBL029389 [0,0,0,1,0,0|2,1,0]=4 59 B7R1.7 CCCCC1CO1 BBL011099 [0,0,0,1,0,0|0,1,0]=2 60 B4R0.2 BrCCCBr BBL011375 [2,0,0,0,0,0|2,0,0]=4 61 B4R0.2 CCCCCl BBL012221 [2,0,0,0,0,0|1,0,0]=3 62 B4R0.2 CCCCI BBL027320 [2,0,0,0,0,0|1,0,0]=3 63 B4R0.2 CCCCN BBL027788 [2,0,0,0,0,0|1,0,0]=3 64 B4R0.2 CNCCN BBL027689 [2,0,0,0,0,0|2,0,0]=4 65 B4R0.2 CNCCO BBL027408 [2,0,0,0,0,0|1,1,0]=4 66 B4R0.2 NCCCBr BBL010090 [2,0,0,0,0,0|2,0,0]=4 67 B4R0.2 NCCCCl BBL009705 [2,0,0,0,0,0|2,0,0]=4 68 B4R0.2 NCCCN BBL027701 [2,0,0,0,0,0|2,0,0]=4 69 B4R0.2 OCCCBr BBL027416 [2,0,0,0,0,0|1,1,0]=4 70 B6R0.1 CCOC(=O)CS BBL011508 [1,1,0,0,0,0|1,0,1]=4 71 B6R0.1 CNCC(C)OC BBL003985 [1,1,0,0,0,0|2,0,0]=4 72 B6R0.1 CNCC(O)CO BBL028168 [1,1,0,0,0,0|1,1,0]=4 73 B6R0.4 CC(=O)CCCCl BBL010617 [1,1,0,0,0,0|1,0,1]=4 74 B6R0.4 CC(C)OCCCl BBL030951 [1,1,0,0,0,0|2,0,0]=4 75 B6R0.4 CCCCC(=O)Cl BBL012216 [1,1,0,0,0,0|0,1,1]=4 76 B6R0.4 CCCCC(C)=O BBL011434 [1,1,0,0,0,0|0,0,1]=3 77 B6R0.4 CN(C)CCCO BBL011401 [1,1,0,0,0,0|1,1,0]=4 78 B8R0.1 CCOC(=O)CCCCl BBL011514 [0,2,0,0,0,0|1,0,1]=4 79 B8R0.4 CCCCCCCCCl BBL011474 [0,2,0,0,0,0|1,0,0]=3 80 B8R0.4 CCCCCCCCI BBL027322 [0,2,0,0,0,0|1,0,0]=3 81 B8R0.4 CCCCNCCCC BBL002913 [0,2,0,0,0,0|1,0,0]=3 82 B8R0.4 CCOCCCN=C=O BBL037673 [0,2,0,0,0,0|0,1,1]=4 83 B8R0.4 COCCNCCC#N BBL024553 [0,2,0,0,0,0|1,0,1]=4 84 B8R0.4 COCCNCCOC BBL011287 [0,2,0,0,0,0|1,1,0]=4 85 B8R0.6 CCC(C)NCCC#N BBL023160 [0,2,0,0,0,0|1,0,1]=4 86 B8R0.6 CCCCCC(=O)CC BBL011431 [0,2,0,0,0,0|1,0,0]=3 87 B8R0.6 CCCCCC(=O)NN BBL014328 [0,2,0,0,0,0|0,1,1]=4 88 B8R0.7 CC(C)CNCCCO BBL030005 [0,2,0,0,0,0|0,1,0]=3 89 B8R0.7 CCCCCCC(C)=O BBL011429 [0,2,0,0,0,0|0,1,0]=3 90 B8R0.7 CCCNCCC(N)=O BBL024551 [0,2,0,0,0,0|0,1,1]=4 91 B8R0.7 O=C(O)CCCCCBr BBL012109 [0,2,0,0,0,0|0,1,1]=4 92 B8R0.3 CCOC(=O)C(N)CS BBL030426 [0,2,0,0,0,0|1,0,1]=4 93 B8R0.8 CCCCC(Br)C(=O)O BBL011383 [0,2,0,0,0,0|0,1,1]=4 94 B8R0.8 CCCCC(N)C(=O)O BBL011583 [0,2,0,0,0,0|0,1,1]=4 95 B8R0.9 CC(C)OCC(O)CN BBL028741 [0,2,0,0,0,0|2,0,0]=4 96 B8R0.11 CCCCC(C=O)CC BBL010642 [0,2,0,0,0,0|1,0,0]=3 97 B8R0.11 CCN(CC)CCCN BBL009884 [0,2,0,0,0,0|2,0,0]=4 98 B8R0.19 CCC(=O)CC(C)CC BBL011426 [0,2,0,0,0,0|1,0,1]=4 99 B8R0.25 C#CC(C)(O)CCCC BBL028010 [0,2,0,0,0,0|1,0,1]=4 100 B8R0.28 CC(C)CNCC(C)O BBL030081 [0,2,0,0,0,0|1,1,0]=4 101 B8R0.28 CC(O)CNCC(C)O BBL013266 [0,2,0,0,0,0|1,1,0]=4 102 B6R1.2 NC1CCCC1 BBL036999 [1,0,0,1,0,0|1,0,0]=3 103 B8R1.2 BrCC1CCCCO1 BBL027774 [0,1,0,1,0,0|0,1,0]=3 104 B8R1.2 CCC1CCCCN1 BBL100012 [0,1,0,1,0,0|1,0,0]=3 105 B8R1.2 CNC1CCSCC1 BBL032171 [0,1,0,1,0,0|2,0,0]=4 106 B8R1.2 COC1CCNCC1 BBL025762 [0,1,0,1,0,0|1,1,0]=4 107 B8R1.2 ClCC1CCCCO1 BBL027598 [0,1,0,1,0,0|0,1,0]=3 108 B8R1.2 ClCC1COCCO1 BBL033753 [0,1,0,1,0,0|1,1,0]=4 109 B8R1.2 N#CC1CCOCC1 BBL018006 [0,1,0,1,0,0|1,0,1]=4 110 B8R1.5 CC1CCCCC1=O BBL011421 [0,1,0,1,0,0|0,1,0]=3 111 B8R1.5 NC1CCCCC1N BBL027344 [0,1,0,1,0,0|1,0,0]=3 112 B8R1.5 O=C1CCCCC1Cl BBL011103 [0,1,0,1,0,0|0,1,1]=4 113 B8R1.5 OC1CCCCC1O BBL027442 [0,1,0,1,0,0|0,1,0]=3 114 B8R1.8 ClCCN1CCCC1 BBL005577 [0,1,0,1,0,0|1,0,0]=3 115 B8R1.8 NCCN1CCCC1 BBL037752 [0,1,0,1,0,0|1,0,0]=3 116 B8R1.8 O=C=NC1CCCC1 BBL036935 [0,1,0,1,0,0|0,1,1]=4 117 B8R1.8 OCCN1CCCC1 BBL027420 [0,1,0,1,0,0|0,1,0]=3 118 B8R1.8 S=C=NC1CCCC1 BBL027955 [0,1,0,1,0,0|0,0,2]=4 119 B8R1.22 CN1CCCNCC1 BBL004956 [0,1,0,1,0,0|2,0,0]=4 120 B8R1.22 NC1=NCCCCC1 BBL012958 [0,1,0,1,0,0|1,0,1]=4 121 B8R1.22 O=C1CCCCCO1 BBL011394 [0,1,0,1,0,0|0,1,1]=4 122 B8R1.3 CC1CCC(N)CC1 BBL036898 [0,1,0,1,0,0|1,0,0]=3 123 B8R1.3 CC1CNC(C)CN1 BBL027547 [0,1,0,1,0,0|2,0,0]=4 124 B8R1.3 CN1CCC(O)CC1 BBL012985 [0,1,0,1,0,0|1,1,0]=4 125 B8R1.4 CC1CCCC(=O)C1 BBL013179 [0,1,0,1,0,0|0,1,1]=4 126 B8R1.4 CC1CCNC(C)C1 BBL038129 [0,1,0,1,0,0|1,0,0]=3 127 B8R1.4 CN1CCCC(O)C1 BBL027590 [0,1,0,1,0,0|1,1,0]=4 128 B8R1.7 CC(C)C1CCCN1 BBL020618 [0,1,0,1,0,0|1,0,0]=3 129 B8R1.7 CC(N)C1CCCO1 BBL037392 [0,1,0,1,0,0|0,1,0]=3 130 B8R1.35 CC(C)NCC1CC1 BBL023213 [0,1,0,1,0,0|2,0,0]=4 131 B8R1.35 CC(C)OCC1CO1 BBL027498 [0,1,0,1,0,0|1,1,0]=4 132 B8R1.72 OC1(O)CCNCC1 BBL009716 [0,1,0,1,0,0|1,1,0]=4 133 B8R2.25 C1CCC2OC2C1 BBL011411 [0,0,0,2,0,0|0,1,0]=3