0 B3R0.1 C#CCN BBL027696 [0,0,0,0,0,0|2,0,1]=3 1 B3R0.1 C#CCO BBL011350 [0,0,0,0,0,0|2,0,1]=3 2 B3R0.1 CN=C=S BBL011120 [0,0,0,0,0,0|3,0,1]=4 3 B3R0.1 CNC=O BBL027430 [0,0,0,0,0,0|3,0,1]=4 4 B3R0.1 ClCCBr BBL011345 [0,0,0,0,0,0|0,1,0]=1 5 B3R0.1 N#CCN BBL009721 [0,0,0,0,0,0|2,0,1]=3 6 B3R0.1 NCCCl BBL011524 [0,0,0,0,0,0|1,0,0]=1 7 B3R0.1 O=CC=O BBL011519 [0,0,0,0,0,0|2,0,2]=4 8 B3R0.1 OCCCl BBL011477 [0,0,0,0,0,0|1,0,0]=1 9 B3R0.1 OCCF BBL027407 [0,0,0,0,0,0|1,1,0]=2 10 B3R0.1 OCCI BBL037216 [0,0,0,0,0,0|1,1,0]=2 11 B3R0.1 SCCS BBL011363 [0,0,0,0,0,0|2,0,0]=2 12 B2R0.1 CCI BBL034620 [1,0,0,0,0,0|0,1,0]=2 13 B2R0.1 CNN BBL011339 [1,0,0,0,0,0|2,0,0]=3 14 B2R0.1 CON BBL028003 [1,0,0,0,0,0|2,0,0]=3 15 B2R0.1 ICI BBL011419 [1,0,0,0,0,0|0,2,0]=3 16 B2R0.1 N#CN BBL027645 [1,0,0,0,0,0|2,0,1]=4 17 B2R0.1 N=CN BBL011114 [1,0,0,0,0,0|2,0,1]=4 18 B4R0.1 C#CC(C)O BBL013177 [0,1,0,0,0,0|2,0,1]=4 19 B4R0.1 CC(=O)CCl BBL036265 [0,1,0,0,0,0|1,0,1]=3 20 B4R0.1 CC(=O)CO BBL011436 [0,1,0,0,0,0|2,0,1]=4 21 B4R0.1 CC(C)C=O BBL034648 [0,1,0,0,0,0|2,0,1]=4 22 B4R0.1 CC(C)CBr BBL036259 [0,1,0,0,0,0|1,1,0]=3 23 B4R0.1 CC(N)CN BBL027674 [0,1,0,0,0,0|2,0,0]=3 24 B4R0.1 CC(O)CCl BBL011446 [0,1,0,0,0,0|1,0,0]=2 25 B4R0.1 CC(O)CN BBL027685 [0,1,0,0,0,0|2,0,0]=3 26 B4R0.1 CC(O)CO BBL011472 [0,1,0,0,0,0|2,0,0]=3 27 B4R0.1 CCC(C)O BBL011463 [0,1,0,0,0,0|2,0,0]=3 28 B4R0.1 COC(=O)Cl BBL011482 [0,1,0,0,0,0|2,0,1]=4 29 B4R0.1 NCC(F)F BBL104334 [0,1,0,0,0,0|1,1,0]=3 30 B4R0.1 O=C(Br)CBr BBL027286 [0,1,0,0,0,0|0,2,1]=4 31 B4R0.1 O=C(Cl)CCl BBL013127 [0,1,0,0,0,0|0,0,1]=2 32 B4R0.1 O=C(O)CCl BBL037260 [0,1,0,0,0,0|1,0,1]=3 33 B4R0.1 OCC(F)F BBL038231 [0,1,0,0,0,0|1,1,0]=3 34 B4R0.2 BrCCCBr BBL011375 [0,1,0,0,0,0|0,2,0]=3 35 B4R0.2 C=NCC#N BBL027363 [0,1,0,0,0,0|2,0,1]=4 36 B4R0.2 CCCCCl BBL012221 [0,1,0,0,0,0|1,0,0]=2 37 B4R0.2 CCCCI BBL027320 [0,1,0,0,0,0|1,1,0]=3 38 B4R0.2 CCCCN BBL027788 [0,1,0,0,0,0|2,0,0]=3 39 B4R0.2 CNCCN BBL027689 [0,1,0,0,0,0|2,0,0]=3 40 B4R0.2 CNCCO BBL027408 [0,1,0,0,0,0|2,0,0]=3 41 B4R0.2 C\C=C\CO BBL027414 [0,1,0,0,0,0|2,0,1]=4 42 B4R0.2 N#CCCBr BBL011566 [0,1,0,0,0,0|1,1,0]=3 43 B4R0.2 N#CCCO BBL027405 [0,1,0,0,0,0|2,0,0]=3 44 B4R0.2 N#CSCCl BBL027358 [0,1,0,0,0,0|1,0,1]=3 45 B4R0.2 NCCCBr BBL010090 [0,1,0,0,0,0|1,1,0]=3 46 B4R0.2 NCCCCl BBL009705 [0,1,0,0,0,0|1,0,0]=2 47 B4R0.2 NCCCN BBL027701 [0,1,0,0,0,0|2,0,0]=3 48 B4R0.2 NNCCO BBL027648 [0,1,0,0,0,0|2,0,0]=3 49 B4R0.2 OCCCBr BBL027416 [0,1,0,0,0,0|1,1,0]=3 50 B1R0.1 CI BBL034228 [2,0,0,0,0,0|0,1,0]=3 51 B1R0.1 C[S-] BBL035347 [2,0,0,0,0,0|1,0,0]=3 52 B3R0.2 CC(C)Br BBL027287 [1,1,0,0,0,0|0,1,0]=3 53 B3R0.2 CC(C)I BBL012222 [1,1,0,0,0,0|0,1,0]=3 54 B3R0.2 S=C(Cl)Cl BBL027488 [1,1,0,0,0,0|0,0,1]=3 55 B5R0.1 C=C(C)CCO BBL027415 [0,2,0,0,0,0|2,0,0]=4 56 B5R0.1 CC(=O)CCO BBL028076 [0,2,0,0,0,0|2,0,0]=4 57 B5R0.1 CC(C)CC=O BBL027631 [0,2,0,0,0,0|2,0,0]=4 58 B5R0.1 CC(C)CCBr BBL011503 [0,2,0,0,0,0|1,1,0]=4 59 B5R0.1 CC(C)CCS BBL027486 [0,2,0,0,0,0|2,0,0]=4 60 B5R0.1 CC(O)CCO BBL037424 [0,2,0,0,0,0|2,0,0]=4 61 B5R0.1 CCCC(=O)Cl BBL011417 [0,2,0,0,0,0|1,0,0]=3 62 B5R0.1 CCCC(C)O BBL011460 [0,2,0,0,0,0|2,0,0]=4 63 B5R0.1 CCC[N+](=O)[O-] BBL011437 [0,2,0,0,0,0|2,0,0]=4 64 B5R0.1 CCOC(=O)Cl BBL011487 [0,2,0,0,0,0|1,0,1]=4 65 B5R0.1 COCC(=O)Cl BBL027308 [0,2,0,0,0,0|1,0,1]=4 66 B5R0.1 NC(=O)CCCl BBL011453 [0,2,0,0,0,0|1,0,0]=3 67 B5R0.1 NCCC(=O)O BBL037332 [0,2,0,0,0,0|2,0,0]=4 68 B5R0.1 O=C(Cl)CCBr BBL011521 [0,2,0,0,0,0|0,1,0]=3 69 B5R0.1 O=C(O)CCCl BBL012215 [0,2,0,0,0,0|1,0,0]=3 70 B5R0.3 CCC(=O)CC BBL027755 [0,2,0,0,0,0|2,0,0]=4 71 B5R0.3 CCC(N)CO BBL027677 [0,2,0,0,0,0|2,0,0]=4 72 B5R0.3 ClCC(Cl)CCl BBL010950 [0,2,0,0,0,0|0,0,0]=2 73 B5R0.3 NCC(O)CN BBL011378 [0,2,0,0,0,0|2,0,0]=4 74 B5R0.3 OCC(O)CCl BBL011374 [0,2,0,0,0,0|1,0,0]=3 75 B5R0.4 CC(C)(N)CO BBL023024 [0,2,0,0,0,0|2,0,0]=4 76 B5R0.4 N#CC(Cl)(Cl)Cl BBL011245 [0,2,0,0,0,0|1,0,1]=4 77 B5R0.4 OCC(F)(F)F BBL008539 [0,2,0,0,0,0|1,1,0]=4 78 B5R0.5 NC(=O)C(Cl)Cl BBL013005 [0,2,0,0,0,0|1,0,1]=4 79 B5R0.5 O=C(Cl)C(=O)Cl BBL011493 [0,2,0,0,0,0|0,0,2]=4 80 B5R0.5 O=C(Cl)C(Cl)Cl BBL011412 [0,2,0,0,0,0|0,0,1]=3 81 B5R0.5 O=C(O)C(Cl)Cl BBL011449 [0,2,0,0,0,0|1,0,1]=4 82 B5R0.2 BrCCCCBr BBL027293 [0,2,0,0,0,0|0,2,0]=4 83 B5R0.2 CCCCC=O BBL027632 [0,2,0,0,0,0|2,0,0]=4 84 B5R0.2 CCCCCN BBL011398 [0,2,0,0,0,0|2,0,0]=4 85 B5R0.2 CCNCCO BBL027409 [0,2,0,0,0,0|2,0,0]=4 86 B5R0.2 CCOCCBr BBL013472 [0,2,0,0,0,0|1,1,0]=4 87 B5R0.2 CNCCC#N BBL011478 [0,2,0,0,0,0|2,0,0]=4 88 B5R0.2 CNCCCN BBL011479 [0,2,0,0,0,0|2,0,0]=4 89 B5R0.2 COCCCN BBL011597 [0,2,0,0,0,0|2,0,0]=4 90 B5R0.2 N#CCCC#N BBL011331 [0,2,0,0,0,0|2,0,0]=4 91 B5R0.2 NCCCCN BBL027703 [0,2,0,0,0,0|2,0,0]=4 92 B5R0.2 O=C=NCCCl BBL027370 [0,2,0,0,0,0|1,0,0]=3 93 B5R1.2 OC1CNC1 BBL023120 [0,1,0,1,0,0|2,0,0]=4 94 B5R1.3 CCC1CO1 BBL011530 [0,1,0,1,0,0|2,0,0]=4 95 B5R1.3 NCC1CC1 BBL027928 [0,1,0,1,0,0|2,0,0]=4 96 B5R1.3 O=CC1CC1 BBL034662 [0,1,0,1,0,0|2,0,0]=4