0 B5R0.3 C=CC(=O)OC BBL011432 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.3 CCC(=O)CC BBL027755 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 CCC(N)CO BBL027677 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.3 CNC(=O)NC BBL011513 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 COC(=O)CO BBL009725 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.3 COC(=O)CS BBL011360 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.3 COC(=O)NN BBL027646 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.1 C#CC(C)O BBL013177 [1,0,0,0,0,0|1,0,1]=3 8 B4R0.1 CC(C)C=O BBL034648 [1,0,0,0,0,0|2,0,0]=3 9 B4R0.1 CC(C)CBr BBL036259 [1,0,0,0,0,0|2,0,0]=3 10 B4R0.1 CC(N)CN BBL027674 [1,0,0,0,0,0|3,0,0]=4 11 B4R0.1 CC(O)CCl BBL011446 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.1 CC(O)CN BBL027685 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.1 CC(O)CO BBL011472 [1,0,0,0,0,0|2,0,0]=3 14 B4R0.1 CCC(C)O BBL011463 [1,0,0,0,0,0|1,0,0]=2 15 B4R0.1 COC(=N)N BBL009722 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.1 COC(=O)Cl BBL011482 [1,0,0,0,0,0|1,0,2]=4 17 B4R0.1 COC(N)=O BBL011430 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.2 CCCCCl BBL012221 [1,0,0,0,0,0|3,0,0]=4 19 B4R0.2 CCCCI BBL027320 [1,0,0,0,0,0|3,0,0]=4 20 B4R0.2 CCCCN BBL027788 [1,0,0,0,0,0|3,0,0]=4 21 B4R0.2 CNCCN BBL027689 [1,0,0,0,0,0|3,0,0]=4 22 B4R0.2 CNCCO BBL027408 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.1 CCC(C)N=C=O BBL037641 [0,1,0,0,0,0|2,0,1]=4 24 B6R0.1 CCC(C)N=C=S BBL027965 [0,1,0,0,0,0|2,0,1]=4 25 B6R0.1 CNCC(C)OC BBL003985 [0,1,0,0,0,0|1,0,0]=2 26 B6R0.1 COC(=O)CCBr BBL027291 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.1 COC(=O)CCN BBL010085 [0,1,0,0,0,0|2,0,1]=4 28 B6R0.3 CNC(C)C(=O)O BBL022510 [0,1,0,0,0,0|3,0,0]=4 29 B6R0.3 COC(=O)C(C)=O BBL027724 [0,1,0,0,0,0|2,0,1]=4 30 B6R0.3 COC(=O)C(C)Cl BBL100013 [0,1,0,0,0,0|2,0,1]=4 31 B6R0.8 COS(=O)(=O)OC BBL034656 [0,1,0,0,0,0|2,0,0]=3 32 B6R0.9 COC(CCl)OC BBL011494 [0,1,0,0,0,0|0,0,0]=1 33 B6R0.9 COC(CN)OC BBL011384 [0,1,0,0,0,0|0,0,0]=1 34 B6R1.2 NC1CCCC1 BBL036999 [0,0,0,1,0,0|3,0,0]=4 35 B6R1.2 O=C1OCCO1 BBL011402 [0,0,0,1,0,0|1,0,1]=3 36 B3R0.1 C#CCO BBL011350 [2,0,0,0,0,0|1,0,1]=4 37 B3R0.1 OCCCl BBL011477 [2,0,0,0,0,0|2,0,0]=4 38 B3R0.1 OCCF BBL027407 [2,0,0,0,0,0|2,0,0]=4 39 B3R0.1 OCCI BBL037216 [2,0,0,0,0,0|2,0,0]=4 40 B3R0.2 CC(C)Br BBL027287 [2,0,0,0,0,0|1,0,0]=3 41 B3R0.2 CC(C)I BBL012222 [2,0,0,0,0,0|1,0,0]=3 42 B5R0.1 CC(C)=CCO BBL011665 [1,1,0,0,0,0|1,0,1]=4 43 B5R0.1 CC(C)CC=O BBL027631 [1,1,0,0,0,0|1,0,1]=4 44 B5R0.1 CC(C)CCBr BBL011503 [1,1,0,0,0,0|1,0,0]=3 45 B5R0.1 CC(C)CCS BBL027486 [1,1,0,0,0,0|1,0,0]=3 46 B5R0.1 CC(C)N=C=O BBL037676 [1,1,0,0,0,0|1,0,1]=4 47 B5R0.1 CC(O)CCO BBL037424 [1,1,0,0,0,0|1,0,0]=3 48 B5R0.1 CCCC(C)O BBL011460 [1,1,0,0,0,0|1,0,0]=3 49 B5R0.4 C#CC(C)(C)O BBL011368 [1,1,0,0,0,0|1,0,1]=4 50 B5R0.4 CC(C)(C)NN BBL036306 [1,1,0,0,0,0|2,0,0]=4 51 B5R0.4 CC(C)(N)CO BBL023024 [1,1,0,0,0,0|2,0,0]=4 52 B5R0.4 CC(C)(O)C#N BBL011349 [1,1,0,0,0,0|2,0,0]=4 53 B5R0.5 CC(C)C(=N)N BBL011900 [1,1,0,0,0,0|2,0,0]=4 54 B5R0.5 CC(C)[N+](=O)[O-] BBL011484 [1,1,0,0,0,0|2,0,0]=4 55 B5R0.5 CC(O)C(=O)O BBL027466 [1,1,0,0,0,0|2,0,0]=4 56 B5R0.5 CC(O)C(N)=O BBL012097 [1,1,0,0,0,0|2,0,0]=4 57 B5R0.2 CCCCCN BBL011398 [1,1,0,0,0,0|2,0,0]=4 58 B5R0.2 CCOCCBr BBL013472 [1,1,0,0,0,0|2,0,0]=4 59 B5R0.2 CNCCCN BBL011479 [1,1,0,0,0,0|2,0,0]=4 60 B5R0.2 COCCCN BBL011597 [1,1,0,0,0,0|1,0,0]=3 61 B7R0.2 CNC(C)CC(C)C BBL023276 [0,2,0,0,0,0|2,0,0]=4 62 B7R0.3 CO\C=C\C(=O)OC BBL028237 [0,2,0,0,0,0|1,0,1]=4 63 B7R0.7 CCOC(C)OCC BBL011492 [0,2,0,0,0,0|0,0,0]=2 64 B7R0.10 COC(=O)C(=O)OC BBL011507 [0,2,0,0,0,0|1,0,1]=4 65 B7R0.10 COC(C)C(=O)NN BBL023722 [0,2,0,0,0,0|2,0,0]=4 66 B7R0.12 CNCC(OC)OC BBL027717 [0,2,0,0,0,0|0,0,0]=2 67 B7R0.12 [C-]#[N+]CC(OC)OC BBL020974 [0,2,0,0,0,0|0,0,0]=2 68 B7R0.13 COC(C)(C)C(=O)O BBL013945 [0,2,0,0,0,0|2,0,0]=4 69 B7R0.14 CNC(C)C(C)(C)C BBL024509 [0,2,0,0,0,0|2,0,0]=4 70 B7R0.15 COC(OC)C(C)=O BBL011442 [0,2,0,0,0,0|0,0,0]=2 71 B7R0.18 COC(C)(OC)OC BBL011203 [0,2,0,0,0,0|0,0,0]=2 72 B5R1.2 OC1CNC1 BBL023120 [1,0,0,1,0,0|2,0,0]=4 73 B5R1.3 CCC1CO1 BBL011530 [1,0,0,1,0,0|1,0,0]=3 74 B5R1.3 NCC1CC1 BBL027928 [1,0,0,1,0,0|2,0,0]=4 75 B5R1.3 O=CC1CC1 BBL034662 [1,0,0,1,0,0|2,0,0]=4 76 B7R1.1 BrCC1OCCO1 BBL027424 [0,1,0,1,0,0|0,0,0]=2 77 B7R1.1 CNC1CCSC1 BBL035010 [0,1,0,1,0,0|1,1,0]=4 78 B7R1.1 ClCC1OCCO1 BBL011357 [0,1,0,1,0,0|0,0,0]=2 79 B7R1.1 OCC1CCCN1 BBL021035 [0,1,0,1,0,0|2,0,0]=4 80 B7R1.2 CC1CCC(=O)O1 BBL011475 [0,1,0,1,0,0|1,0,1]=4 81 B7R1.2 CC1COC(=O)O1 BBL027518 [0,1,0,1,0,0|1,0,1]=4 82 B7R1.25 CC1(CO)COC1 BBL027778 [0,1,0,1,0,0|2,0,0]=4