0 B5R0.2 BrCCCCBr BBL027293 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.2 CCCCC=O BBL027632 [0,0,0,0,0,0|1,0,0]=1 2 B5R0.2 CCCCCN BBL011398 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.2 CCNCCO BBL027409 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.2 CCOCCBr BBL013472 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.2 CNCCC#N BBL011478 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.2 CNCCCN BBL011479 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.2 COCCCN BBL011597 [0,0,0,0,0,0|1,1,1]=3 8 B5R0.2 N#CCCC#N BBL011331 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.2 NCCCCN BBL027703 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.2 O=C=NCCCl BBL027370 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.2 BrCCCBr BBL011375 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.2 C=NCC#N BBL027363 [1,0,0,0,0,0|3,0,0]=4 13 B4R0.2 CCCCCl BBL012221 [1,0,0,0,0,0|1,0,1]=3 14 B4R0.2 CCCCI BBL027320 [1,0,0,0,0,0|1,0,1]=3 15 B4R0.2 CCCCN BBL027788 [1,0,0,0,0,0|1,0,1]=3 16 B4R0.2 CNCCN BBL027689 [1,0,0,0,0,0|2,0,0]=3 17 B4R0.2 CNCCO BBL027408 [1,0,0,0,0,0|1,0,1]=3 18 B4R0.2 C\C=C\C=O BBL011428 [1,0,0,0,0,0|0,0,2]=3 19 B4R0.2 C\C=C\CO BBL027414 [1,0,0,0,0,0|1,0,2]=4 20 B4R0.2 N#CCCBr BBL011566 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.2 N#CCCO BBL027405 [1,0,0,0,0,0|1,1,1]=4 22 B4R0.2 NCCCBr BBL010090 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.2 NCCCCl BBL009705 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.2 NCCCN BBL027701 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.2 NNCCO BBL027648 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.2 OCCCBr BBL027416 [1,0,0,0,0,0|1,0,2]=4 27 B6R0.1 CCC(C)N=C=O BBL037641 [0,1,0,0,0,0|2,0,1]=4 28 B6R0.1 CNCC(C)OC BBL003985 [0,1,0,0,0,0|2,1,0]=4 29 B6R0.1 CNCC(O)CO BBL028168 [0,1,0,0,0,0|1,0,2]=4 30 B6R0.4 C#CCOC(=O)Cl BBL028473 [0,1,0,0,0,0|2,0,1]=4 31 B6R0.4 C=CCCC(=O)O BBL027458 [0,1,0,0,0,0|1,0,1]=3 32 B6R0.4 C=CCNC(N)=O BBL011340 [0,1,0,0,0,0|2,0,1]=4 33 B6R0.4 C=CCOC(=O)Cl BBL011109 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.4 CC(=O)CCCCl BBL010617 [0,1,0,0,0,0|2,0,0]=3 35 B6R0.4 CC(=O)NCCN BBL027688 [0,1,0,0,0,0|3,0,0]=4 36 B6R0.4 CCCCC(=O)Cl BBL012216 [0,1,0,0,0,0|1,0,0]=2 37 B6R0.4 CCCCC(C)=O BBL011434 [0,1,0,0,0,0|1,0,0]=2 38 B6R0.4 CN(C)CCC#N BBL013139 [0,1,0,0,0,0|2,0,1]=4 39 B6R0.4 CN(C)CCCO BBL011401 [0,1,0,0,0,0|1,0,2]=4 40 B6R0.4 CNCCC(N)=O BBL023425 [0,1,0,0,0,0|1,0,0]=2 41 B6R0.4 NCCCC(=O)O BBL008590 [0,1,0,0,0,0|2,0,0]=3 42 B6R0.4 O=C(Cl)CCCCl BBL011409 [0,1,0,0,0,0|2,0,0]=3 43 B6R0.6 BrCCCCCBr BBL012205 [0,1,0,0,0,0|2,0,1]=4 44 B6R0.6 CCCCCCBr BBL012217 [0,1,0,0,0,0|2,0,1]=4 45 B6R0.6 CCCCCCI BBL011465 [0,1,0,0,0,0|2,0,1]=4 46 B6R0.6 CCCCCCN BBL011106 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.6 CCCCN=C=O BBL027371 [0,1,0,0,0,0|1,0,1]=3 48 B6R0.6 CCCCOC=O BBL012218 [0,1,0,0,0,0|1,0,0]=2 49 B6R0.6 CCCNCCC BBL027756 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.6 CCOCCCN BBL027700 [0,1,0,0,0,0|1,1,1]=4 51 B6R0.6 COCCN=C=S BBL011963 [0,1,0,0,0,0|0,2,1]=4 52 B6R0.6 NCCCCCN BBL027704 [0,1,0,0,0,0|2,0,1]=4 53 B6R1.2 NC1=NCCC1 BBL031757 [0,0,0,1,0,0|3,0,0]=4 54 B6R1.2 NC1CCCC1 BBL036999 [0,0,0,1,0,0|2,0,1]=4 55 B6R1.2 O=C1C=CCC1 BBL100014 [0,0,0,1,0,0|1,0,1]=3 56 B6R1.2 O=C1CCSC1 BBL027522 [0,0,0,1,0,0|0,0,0]=1 57 B6R1.2 O=C1OCCO1 BBL011402 [0,0,0,1,0,0|3,0,0]=4 58 B3R0.1 CNC=O BBL027430 [2,0,0,0,0,0|1,0,0]=3 59 B3R0.1 ClCCBr BBL011345 [2,0,0,0,0,0|2,0,0]=4 60 B3R0.1 NCCCl BBL011524 [2,0,0,0,0,0|2,0,0]=4 61 B3R0.1 O=CC=O BBL011519 [2,0,0,0,0,0|0,1,1]=4 62 B3R0.1 OCCCl BBL011477 [2,0,0,0,0,0|1,0,1]=4 63 B3R0.1 OCCF BBL027407 [2,0,0,0,0,0|1,0,1]=4 64 B3R0.1 OCCI BBL037216 [2,0,0,0,0,0|1,0,1]=4 65 B3R0.1 SCCS BBL011363 [2,0,0,0,0,0|0,1,0]=3 66 B5R0.1 C=C(C)CCO BBL027415 [1,1,0,0,0,0|1,0,1]=4 67 B5R0.1 CC(=O)CCO BBL028076 [1,1,0,0,0,0|0,1,0]=3 68 B5R0.1 CC(C)CC=O BBL027631 [1,1,0,0,0,0|0,0,0]=2 69 B5R0.1 CC(C)CCBr BBL011503 [1,1,0,0,0,0|1,0,1]=4 70 B5R0.1 CC(C)CCS BBL027486 [1,1,0,0,0,0|0,1,1]=4 71 B5R0.1 CC(C)N=C=O BBL037676 [1,1,0,0,0,0|1,0,1]=4 72 B5R0.1 CC(O)CCO BBL037424 [1,1,0,0,0,0|0,0,2]=4 73 B5R0.1 CCCC(=O)Cl BBL011417 [1,1,0,0,0,0|0,0,0]=2 74 B5R0.1 CCCC(C)O BBL011460 [1,1,0,0,0,0|0,0,2]=4 75 B5R0.1 CCC[N+](=O)[O-] BBL011437 [1,1,0,0,0,0|1,0,0]=3 76 B5R0.1 CCOC(=O)Cl BBL011487 [1,1,0,0,0,0|1,0,0]=3 77 B5R0.1 CNCC(=O)O BBL009707 [1,1,0,0,0,0|1,0,0]=3 78 B5R0.1 CNCC(N)=O BBL011928 [1,1,0,0,0,0|1,0,0]=3 79 B5R0.1 COCC(=O)Cl BBL027308 [1,1,0,0,0,0|0,1,0]=3 80 B5R0.1 CSCC(C)=O BBL100878 [1,1,0,0,0,0|0,0,0]=2 81 B5R0.1 C\C=C\C(=O)Cl BBL011366 [1,1,0,0,0,0|0,0,2]=4 82 B5R0.1 C\C=C\C(=O)O BBL027395 [1,1,0,0,0,0|0,0,2]=4 83 B5R0.1 NC(=O)CCCl BBL011453 [1,1,0,0,0,0|1,0,0]=3 84 B5R0.1 NCCC(=O)O BBL037332 [1,1,0,0,0,0|1,0,0]=3 85 B5R0.1 O=C(Cl)CCBr BBL011521 [1,1,0,0,0,0|1,0,0]=3 86 B5R0.1 O=C(O)CCCl BBL012215 [1,1,0,0,0,0|1,0,0]=3 87 B5R0.3 CCC(N)CO BBL027677 [1,1,0,0,0,0|0,0,2]=4 88 B7R0.2 CNC(C)CC(N)=O BBL024637 [0,2,0,0,0,0|1,0,0]=3 89 B7R0.2 COC(=O)CC(C)=O BBL011420 [0,2,0,0,0,0|0,1,1]=4 90 B7R0.3 CCCCC(=O)CC BBL011476 [0,2,0,0,0,0|1,0,0]=3 91 B7R0.3 CCCCC(=O)NN BBL027902 [0,2,0,0,0,0|1,0,0]=3 92 B7R0.3 CCOCC(=O)NN BBL023356 [0,2,0,0,0,0|2,0,0]=4 93 B7R0.3 CNC(=O)CCCN BBL022745 [0,2,0,0,0,0|2,0,0]=4 94 B7R0.3 CNCCC(=O)NC BBL023441 [0,2,0,0,0,0|1,0,0]=3 95 B7R0.3 CNCC\C(N)=N\O BBL035311 [0,2,0,0,0,0|1,0,1]=4 96 B7R0.3 COC(=O)CCCCl BBL011535 [0,2,0,0,0,0|2,0,0]=4 97 B7R0.3 COCC\C(N)=N\O BBL018147 [0,2,0,0,0,0|0,1,1]=4 98 B7R0.3 NNC(=O)CCCO BBL009673 [0,2,0,0,0,0|2,0,0]=4 99 B7R0.4 C=CCNCC(C)C BBL000393 [0,2,0,0,0,0|2,0,0]=4 100 B7R0.4 CCCCCC(C)=O BBL011381 [0,2,0,0,0,0|1,0,0]=3 101 B7R0.4 CCCCOC(=O)Cl BBL011392 [0,2,0,0,0,0|1,0,0]=3 102 B7R0.4 CCCOCC(=O)O BBL008506 [0,2,0,0,0,0|1,0,0]=3 103 B7R0.4 CCC\C=C/C(=O)O BBL029832 [0,2,0,0,0,0|1,0,1]=4 104 B7R0.4 NCCCCC(=O)O BBL027702 [0,2,0,0,0,0|1,0,0]=3 105 B7R0.6 CC(=O)CCC(=O)O BBL027404 [0,2,0,0,0,0|1,0,0]=3 106 B7R0.6 CC(=O)CCC(C)=O BBL027731 [0,2,0,0,0,0|1,0,0]=3 107 B7R0.6 CC(=O)CCN(C)C BBL013551 [0,2,0,0,0,0|1,0,0]=3 108 B7R0.6 CC(=O)NCC(=O)O BBL020087 [0,2,0,0,0,0|2,0,0]=4 109 B7R0.6 CC(C)COC(=O)Cl BBL011424 [0,2,0,0,0,0|2,0,0]=4 110 B7R0.6 CC(C)OCC(=O)O BBL031299 [0,2,0,0,0,0|2,0,0]=4 111 B7R0.6 O=C(O)CCC(=O)O BBL002473 [0,2,0,0,0,0|2,0,0]=4 112 B7R0.1 C=CCCCCCC BBL027759 [0,2,0,0,0,0|2,0,0]=4 113 B7R0.1 COCCCN=C=O BBL037672 [0,2,0,0,0,0|0,1,1]=4 114 B5R1.2 OC1CNC1 BBL023120 [1,0,0,1,0,0|1,0,1]=4 115 B5R1.3 CCC1CO1 BBL011530 [1,0,0,1,0,0|0,0,2]=4 116 B5R1.3 NCC1CC1 BBL027928 [1,0,0,1,0,0|1,0,1]=4 117 B5R1.3 O=CC1CC1 BBL034662 [1,0,0,1,0,0|0,0,0]=2 118 B7R1.1 CNC1CCSC1 BBL035010 [0,1,0,1,0,0|1,0,1]=4 119 B7R1.2 CC1CCC(=O)O1 BBL011475 [0,1,0,1,0,0|1,0,0]=3 120 B7R1.2 CC1COC(=O)O1 BBL027518 [0,1,0,1,0,0|2,0,0]=4 121 B7R1.2 NC1=CC(=O)CC1 BBL032125 [0,1,0,1,0,0|1,0,1]=4 122 B7R1.2 O=C1C=C(Cl)CC1 BBL032126 [0,1,0,1,0,0|1,0,1]=4 123 B7R1.2 O=C1CCC(=O)C1 BBL011146 [0,1,0,1,0,0|1,0,0]=3 124 B7R1.3 O=C1CCCCN1 BBL027557 [0,1,0,1,0,0|1,0,0]=3 125 B7R1.3 O=C1CCOCC1 BBL027597 [0,1,0,1,0,0|0,1,0]=3 126 B7R1.4 NC1CCOC1=O BBL027998 [0,1,0,1,0,0|2,0,0]=4 127 B7R1.4 NC1CCSC1=O BBL028068 [0,1,0,1,0,0|2,0,0]=4 128 B7R1.4 NC1CONC1=O BBL016489 [0,1,0,1,0,0|1,1,0]=4 129 B7R1.4 N[C@@H]1CSC[C@@H]1O BBL012757 [0,1,0,1,0,0|0,0,2]=4 130 B7R1.14 O=[SH+]1(=[O-])CCCC1 BBL033862 [0,1,0,1,0,0|2,0,0]=4 131 B7R1.18 O=C(O)C1CNC1 BBL101508 [0,1,0,1,0,0|1,0,0]=3 132 B7R1.24 C1=CCOCOC1 BBL027429 [0,1,0,1,0,0|1,1,0]=4