0 B4R0.2 BrCCCBr BBL011375 [0,0,0,0,0,0|2,0,0]=2 1 B4R0.2 C=NCC#N BBL027363 [0,0,0,0,0,0|2,0,2]=4 2 B4R0.2 CCCCCl BBL012221 [0,0,0,0,0,0|1,0,0]=1 3 B4R0.2 CCCCI BBL027320 [0,0,0,0,0,0|1,0,0]=1 4 B4R0.2 CCCCN BBL027788 [0,0,0,0,0,0|1,0,0]=1 5 B4R0.2 CNCCN BBL027689 [0,0,0,0,0,0|2,0,0]=2 6 B4R0.2 CNCCO BBL027408 [0,0,0,0,0,0|1,1,0]=2 7 B4R0.2 C\C=C\C#N BBL036260 [0,0,0,0,0,0|1,0,3]=4 8 B4R0.2 C\C=C\C=O BBL011428 [0,0,0,0,0,0|0,1,3]=4 9 B4R0.2 C\C=C\CO BBL027414 [0,0,0,0,0,0|0,1,2]=3 10 B4R0.2 N#CCCBr BBL011566 [0,0,0,0,0,0|2,0,1]=3 11 B4R0.2 N#CCCO BBL027405 [0,0,0,0,0,0|1,1,1]=3 12 B4R0.2 N#CSCCl BBL027358 [0,0,0,0,0,0|3,0,1]=4 13 B4R0.2 NCCCBr BBL010090 [0,0,0,0,0,0|2,0,0]=2 14 B4R0.2 NCCCCl BBL009705 [0,0,0,0,0,0|2,0,0]=2 15 B4R0.2 NCCCN BBL027701 [0,0,0,0,0,0|2,0,0]=2 16 B4R0.2 NNCCO BBL027648 [0,0,0,0,0,0|2,1,0]=3 17 B4R0.2 OCCCBr BBL027416 [0,0,0,0,0,0|1,1,0]=2 18 B3R0.1 C#CCN BBL027696 [1,0,0,0,0,0|1,0,2]=4 19 B3R0.1 C#CCO BBL011350 [1,0,0,0,0,0|0,1,2]=4 20 B3R0.1 CN=C=S BBL011120 [1,0,0,0,0,0|1,0,2]=4 21 B3R0.1 CNC=O BBL027430 [1,0,0,0,0,0|1,1,1]=4 22 B3R0.1 ClCCBr BBL011345 [1,0,0,0,0,0|2,0,0]=3 23 B3R0.1 N#CCN BBL009721 [1,0,0,0,0,0|2,0,1]=4 24 B3R0.1 NCCCl BBL011524 [1,0,0,0,0,0|2,0,0]=3 25 B3R0.1 OCCCl BBL011477 [1,0,0,0,0,0|1,1,0]=3 26 B3R0.1 OCCF BBL027407 [1,0,0,0,0,0|1,1,0]=3 27 B3R0.1 OCCI BBL037216 [1,0,0,0,0,0|1,1,0]=3 28 B3R0.1 SCCS BBL011363 [1,0,0,0,0,0|1,0,0]=2 29 B5R0.1 C#CCN(C)C BBL027718 [0,1,0,0,0,0|2,0,1]=4 30 B5R0.1 C=C(C)CCO BBL027415 [0,1,0,0,0,0|0,1,1]=3 31 B5R0.1 CC(=O)CCO BBL028076 [0,1,0,0,0,0|0,1,1]=3 32 B5R0.1 CC(C)=CCO BBL011665 [0,1,0,0,0,0|0,1,2]=4 33 B5R0.1 CC(C)CC=O BBL027631 [0,1,0,0,0,0|0,1,1]=3 34 B5R0.1 CC(C)CCBr BBL011503 [0,1,0,0,0,0|1,0,0]=2 35 B5R0.1 CC(C)CCS BBL027486 [0,1,0,0,0,0|0,0,0]=1 36 B5R0.1 CC(C)N=C=O BBL037676 [0,1,0,0,0,0|1,1,1]=4 37 B5R0.1 CC(O)CCO BBL037424 [0,1,0,0,0,0|0,1,0]=2 38 B5R0.1 CCCC(=O)Cl BBL011417 [0,1,0,0,0,0|0,1,1]=3 39 B5R0.1 CCCC(C)O BBL011460 [0,1,0,0,0,0|0,1,0]=2 40 B5R0.1 CCC[N+](=O)[O-] BBL011437 [0,1,0,0,0,0|1,1,0]=3 41 B5R0.1 CCOC(=O)Cl BBL011487 [0,1,0,0,0,0|1,1,1]=4 42 B5R0.1 CNCC(=O)O BBL009707 [0,1,0,0,0,0|1,1,1]=4 43 B5R0.1 CNCC(N)=O BBL011928 [0,1,0,0,0,0|1,1,1]=4 44 B5R0.1 COCC(=O)Cl BBL027308 [0,1,0,0,0,0|1,1,1]=4 45 B5R0.1 CSCC(C)=O BBL100878 [0,1,0,0,0,0|1,1,1]=4 46 B5R0.1 NC(=O)CCCl BBL011453 [0,1,0,0,0,0|1,1,1]=4 47 B5R0.1 NCCC(=O)O BBL037332 [0,1,0,0,0,0|1,1,1]=4 48 B5R0.1 O=C(Cl)CCBr BBL011521 [0,1,0,0,0,0|1,1,1]=4 49 B5R0.1 O=C(O)CCCl BBL012215 [0,1,0,0,0,0|1,1,1]=4 50 B5R0.2 BrCCCCBr BBL027293 [0,1,0,0,0,0|1,0,0]=2 51 B5R0.2 CCCCC=O BBL027632 [0,1,0,0,0,0|0,1,0]=2 52 B5R0.2 CCCCCN BBL011398 [0,1,0,0,0,0|1,0,0]=2 53 B5R0.2 CCNCCO BBL027409 [0,1,0,0,0,0|0,1,0]=2 54 B5R0.2 CCOCCBr BBL013472 [0,1,0,0,0,0|1,0,0]=2 55 B5R0.2 CNCCC#N BBL011478 [0,1,0,0,0,0|1,0,1]=3 56 B5R0.2 CNCCCN BBL011479 [0,1,0,0,0,0|1,0,0]=2 57 B5R0.2 COCCCN BBL011597 [0,1,0,0,0,0|1,0,0]=2 58 B5R0.2 N#CCCC#N BBL011331 [0,1,0,0,0,0|1,0,2]=4 59 B5R0.2 NCCCCN BBL027703 [0,1,0,0,0,0|1,0,0]=2 60 B5R0.2 O=C=NCCCl BBL027370 [0,1,0,0,0,0|1,1,1]=4 61 B5R0.3 CCC(=O)CC BBL027755 [0,1,0,0,0,0|1,0,1]=3 62 B5R0.3 CCC(=O)NN BBL036933 [0,1,0,0,0,0|2,0,1]=4 63 B5R0.3 CCC(=O)NO BBL011342 [0,1,0,0,0,0|1,1,1]=4 64 B5R0.3 CCC(N)CO BBL027677 [0,1,0,0,0,0|0,1,0]=2 65 B5R0.3 COC(=O)CO BBL009725 [0,1,0,0,0,0|1,1,1]=4 66 B5R0.3 COC(=O)CS BBL011360 [0,1,0,0,0,0|1,0,1]=3 67 B5R0.3 ClCC(Cl)CCl BBL010950 [0,1,0,0,0,0|2,0,0]=3 68 B5R0.3 NCC(O)CN BBL011378 [0,1,0,0,0,0|2,0,0]=3 69 B5R0.3 OCC(O)CCl BBL011374 [0,1,0,0,0,0|1,1,0]=3 70 B5R1.2 OC1CNC1 BBL023120 [0,0,0,1,0,0|1,1,0]=3 71 B5R1.3 CCC1CO1 BBL011530 [0,0,0,1,0,0|0,1,0]=2 72 B5R1.3 NCC1CC1 BBL027928 [0,0,0,1,0,0|1,0,0]=2 73 B5R1.3 O=CC1CC1 BBL034662 [0,0,0,1,0,0|0,1,1]=3 74 B2R0.1 CCI BBL034620 [2,0,0,0,0,0|1,0,0]=3 75 B2R0.1 CNN BBL011339 [2,0,0,0,0,0|2,0,0]=4 76 B2R0.1 CON BBL028003 [2,0,0,0,0,0|2,0,0]=4 77 B2R0.1 ICI BBL011419 [2,0,0,0,0,0|2,0,0]=4 78 B4R0.1 C#CC(C)O BBL013177 [1,1,0,0,0,0|0,0,2]=4 79 B4R0.1 CC(=O)CCl BBL036265 [1,1,0,0,0,0|1,0,1]=4 80 B4R0.1 CC(=O)CO BBL011436 [1,1,0,0,0,0|0,1,1]=4 81 B4R0.1 CC(C)C=O BBL034648 [1,1,0,0,0,0|0,1,1]=4 82 B4R0.1 CC(C)CBr BBL036259 [1,1,0,0,0,0|1,0,0]=3 83 B4R0.1 CC(N)CN BBL027674 [1,1,0,0,0,0|1,0,0]=3 84 B4R0.1 CC(O)CCl BBL011446 [1,1,0,0,0,0|1,0,0]=3 85 B4R0.1 CC(O)CN BBL027685 [1,1,0,0,0,0|1,0,0]=3 86 B4R0.1 CC(O)CO BBL011472 [1,1,0,0,0,0|0,1,0]=3 87 B4R0.1 CCC(C)O BBL011463 [1,1,0,0,0,0|0,0,0]=2 88 B4R0.1 NCC(F)F BBL104334 [1,1,0,0,0,0|2,0,0]=4 89 B4R0.1 OCC(F)F BBL038231 [1,1,0,0,0,0|1,1,0]=4 90 B6R0.1 CCC(C)N=C=O BBL037641 [0,2,0,0,0,0|0,1,1]=4 91 B6R0.1 CCC(C)N=C=S BBL027965 [0,2,0,0,0,0|0,0,2]=4 92 B6R0.1 CCC\C(N)=N\O BBL005361 [0,2,0,0,0,0|0,1,1]=4 93 B6R0.1 CCOC(=O)CBr BBL027288 [0,2,0,0,0,0|1,0,1]=4 94 B6R0.1 CCOC(=O)CCl BBL012578 [0,2,0,0,0,0|1,0,1]=4 95 B6R0.1 CCOC(=O)CS BBL011508 [0,2,0,0,0,0|0,0,1]=3 96 B6R0.1 CNCC(C)OC BBL003985 [0,2,0,0,0,0|1,1,0]=4 97 B6R0.1 CNCC(O)CO BBL028168 [0,2,0,0,0,0|0,1,0]=3 98 B6R0.1 COC(=O)CCBr BBL027291 [0,2,0,0,0,0|1,0,1]=4 99 B6R0.1 COC(=O)CCN BBL010085 [0,2,0,0,0,0|1,0,1]=4 100 B6R0.2 CC(C)CC(=O)Cl BBL027310 [0,2,0,0,0,0|0,1,1]=4 101 B6R0.2 CC(C)CC(=O)O BBL027399 [0,2,0,0,0,0|0,1,1]=4 102 B6R0.2 CC(O)CC(=O)O BBL027467 [0,2,0,0,0,0|0,1,1]=4 103 B6R0.3 CCC(Br)C(=O)O BBL011564 [0,2,0,0,0,0|0,1,1]=4 104 B6R0.3 CCC(N)C(=O)O BBL012213 [0,2,0,0,0,0|0,1,1]=4 105 B6R0.3 NC(CS)C(=O)O BBL012104 [0,2,0,0,0,0|1,0,1]=4 106 B6R0.4 CC(=O)CCCCl BBL010617 [0,2,0,0,0,0|1,0,0]=3 107 B6R0.4 CC(=O)NCCN BBL027688 [0,2,0,0,0,0|1,0,1]=4 108 B6R0.4 CC(C)CN=C=S BBL027869 [0,2,0,0,0,0|0,0,2]=4 109 B6R0.4 CC(C)OCCCl BBL030951 [0,2,0,0,0,0|1,0,0]=3 110 B6R0.4 CCCCC(=O)Cl BBL012216 [0,2,0,0,0,0|0,1,0]=3 111 B6R0.4 CCCCC(C)=O BBL011434 [0,2,0,0,0,0|0,1,0]=3 112 B6R0.4 CN(C)CCC#N BBL013139 [0,2,0,0,0,0|1,0,1]=4 113 B6R0.4 CN(C)CCCO BBL011401 [0,2,0,0,0,0|0,1,0]=3 114 B6R0.4 CNCCC(N)=O BBL023425 [0,2,0,0,0,0|0,1,1]=4 115 B6R0.4 NCCCC(=O)O BBL008590 [0,2,0,0,0,0|0,1,1]=4 116 B6R0.4 O=C(Cl)CCCCl BBL011409 [0,2,0,0,0,0|0,1,1]=4 117 B6R0.5 CCCS(=O)(=O)Cl BBL027643 [0,2,0,0,0,0|1,1,0]=4 118 B6R0.5 CNCC(C)(C)C BBL023208 [0,2,0,0,0,0|2,0,0]=4 119 B6R0.5 C[N+](C)(C)CCO BBL005532 [0,2,0,0,0,0|1,1,0]=4 120 B6R0.5 O=S(=O)([O-])CCS BBL033929 [0,2,0,0,0,0|2,0,0]=4 121 B6R0.6 BrCCCCCBr BBL012205 [0,2,0,0,0,0|1,0,0]=3 122 B6R0.6 CCCCCCBr BBL012217 [0,2,0,0,0,0|1,0,0]=3 123 B6R0.6 CCCCCCI BBL011465 [0,2,0,0,0,0|1,0,0]=3 124 B6R0.6 CCCCCCN BBL011106 [0,2,0,0,0,0|1,0,0]=3 125 B6R0.6 CCCCN=C=O BBL027371 [0,2,0,0,0,0|0,1,0]=3 126 B6R0.6 CCCCOC=O BBL012218 [0,2,0,0,0,0|0,1,0]=3 127 B6R0.6 CCCNCCC BBL027756 [0,2,0,0,0,0|1,0,0]=3 128 B6R0.6 CCOCCCN BBL027700 [0,2,0,0,0,0|1,0,0]=3 129 B6R0.6 COCCN=C=S BBL011963 [0,2,0,0,0,0|0,0,2]=4 130 B6R0.6 NCCCCCN BBL027704 [0,2,0,0,0,0|1,0,0]=3 131 B6R0.6 NCCNCCN BBL005239 [0,2,0,0,0,0|1,0,0]=3 132 B6R0.6 NCCNCCO BBL027690 [0,2,0,0,0,0|0,1,0]=3 133 B6R0.6 NCCOCCO BBL011501 [0,2,0,0,0,0|0,1,0]=3 134 B6R0.6 NCCSCCO BBL028287 [0,2,0,0,0,0|0,1,0]=3 135 B6R0.8 CC(N)(CO)CO BBL027473 [0,2,0,0,0,0|1,1,0]=4 136 B6R0.9 COC(CCl)OC BBL011494 [0,2,0,0,0,0|2,0,0]=4 137 B6R0.9 COC(CN)OC BBL011384 [0,2,0,0,0,0|2,0,0]=4 138 B6R1.2 NC1=NCCC1 BBL031757 [0,1,0,1,0,0|1,0,1]=4 139 B6R1.2 NC1=NCCS1 BBL000029 [0,1,0,1,0,0|1,0,1]=4 140 B6R1.2 NC1CCCC1 BBL036999 [0,1,0,1,0,0|1,0,0]=3 141 B6R1.2 O=C1CCSC1 BBL027522 [0,1,0,1,0,0|0,0,1]=3 142 B6R1.2 SC1=NCCS1 BBL027511 [0,1,0,1,0,0|1,0,1]=4 143 B6R1.3 S=C=NC1CC1 BBL015244 [0,1,0,1,0,0|0,0,2]=4 144 B6R1.11 O=C(Cl)C1CC1 BBL011354 [0,1,0,1,0,0|0,1,1]=4 145 B6R1.1 C1OCOCO1 BBL011407 [0,1,0,1,0,0|1,1,0]=4