0 B5R0.1 C#CCN(C)C BBL027718 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 C=C(C)CCO BBL027415 [0,0,0,0,0,0|0,1,2]=3 2 B5R0.1 C=COC(C)=O BBL036266 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 CC(=O)CCO BBL028076 [0,0,0,0,0,0|1,1,1]=3 4 B5R0.1 CC(C)=CCO BBL011665 [0,0,0,0,0,0|0,1,0]=1 5 B5R0.1 CC(C)CC=O BBL027631 [0,0,0,0,0,0|0,1,3]=4 6 B5R0.1 CC(C)CCBr BBL011503 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.1 CC(C)CCS BBL027486 [0,0,0,0,0,0|0,0,2]=2 8 B5R0.1 CC(C)N=C=O BBL037676 [0,0,0,0,0,0|1,1,2]=4 9 B5R0.1 CC(O)CCO BBL037424 [0,0,0,0,0,0|1,1,2]=4 10 B5R0.1 CCCC(=O)Cl BBL011417 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 CCCC(C)O BBL011460 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.1 CCOC(=O)Cl BBL011487 [0,0,0,0,0,0|4,0,0]=4 13 B5R0.1 CSCC(C)=O BBL100878 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.1 C\C=C\C(=O)Cl BBL011366 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 C\C=C\C(=O)O BBL027395 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.1 NC(=O)CCCl BBL011453 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.1 NCCC(=O)O BBL037332 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.1 O=C(Cl)CCBr BBL011521 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.1 O=C(O)CCCl BBL012215 [0,0,0,0,0,0|3,0,1]=4 20 B4R0.1 C=C(C)C#N BBL011404 [1,0,0,0,0,0|1,0,2]=4 21 B4R0.1 CC(=O)CCl BBL036265 [1,0,0,0,0,0|2,0,0]=3 22 B4R0.1 CC(=O)CO BBL011436 [1,0,0,0,0,0|1,1,0]=3 23 B4R0.1 CC(=O)NN BBL018600 [1,0,0,0,0,0|3,0,0]=4 24 B4R0.1 CC(C)C=O BBL034648 [1,0,0,0,0,0|0,1,1]=3 25 B4R0.1 CC(C)CBr BBL036259 [1,0,0,0,0,0|1,0,1]=3 26 B4R0.1 CC(N)CN BBL027674 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 CC(O)CCl BBL011446 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 CC(O)CN BBL027685 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 CC(O)CO BBL011472 [1,0,0,0,0,0|1,1,1]=4 30 B4R0.1 CCC(C)O BBL011463 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.1 CNC(=N)N BBL011356 [1,0,0,0,0,0|3,0,0]=4 32 B4R0.1 CNC(N)=O BBL013131 [1,0,0,0,0,0|3,0,0]=4 33 B4R0.1 COC(=N)N BBL009722 [1,0,0,0,0,0|3,0,0]=4 34 B4R0.1 COC(=O)Cl BBL011482 [1,0,0,0,0,0|3,0,0]=4 35 B4R0.1 COC(N)=O BBL011430 [1,0,0,0,0,0|3,0,0]=4 36 B4R0.1 CSC(=N)N BBL013049 [1,0,0,0,0,0|3,0,0]=4 37 B4R0.1 C\C(N)=N\O BBL005334 [1,0,0,0,0,0|2,1,0]=4 38 B4R0.1 O=C(Br)CBr BBL027286 [1,0,0,0,0,0|3,0,0]=4 39 B4R0.1 O=C(Cl)CCl BBL013127 [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 O=C(O)CCl BBL037260 [1,0,0,0,0,0|3,0,0]=4 41 B4R0.2 CCCCCl BBL012221 [1,0,0,0,0,0|1,0,2]=4 42 B4R0.2 CCCCI BBL027320 [1,0,0,0,0,0|1,0,2]=4 43 B4R0.2 CCCCN BBL027788 [1,0,0,0,0,0|1,0,2]=4 44 B4R0.2 CNCCN BBL027689 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.2 CNCCO BBL027408 [1,0,0,0,0,0|1,1,1]=4 46 B4R0.2 C\C=C\C#N BBL036260 [1,0,0,0,0,0|1,0,1]=3 47 B4R0.2 C\C=C\C=O BBL011428 [1,0,0,0,0,0|0,1,1]=3 48 B4R0.2 C\C=C\CO BBL027414 [1,0,0,0,0,0|0,1,0]=2 49 B6R0.1 CCOC(=O)CBr BBL027288 [0,1,0,0,0,0|3,0,0]=4 50 B6R0.1 CCOC(=O)CCl BBL012578 [0,1,0,0,0,0|3,0,0]=4 51 B6R0.1 CCOC(=O)CS BBL011508 [0,1,0,0,0,0|3,0,0]=4 52 B6R0.1 COC(=O)CCBr BBL027291 [0,1,0,0,0,0|2,0,1]=4 53 B6R0.1 COC(=O)CCN BBL010085 [0,1,0,0,0,0|2,0,1]=4 54 B6R0.2 CC(C)=CC(=O)Cl BBL027309 [0,1,0,0,0,0|0,1,1]=3 55 B6R0.3 CC(C)C(=O)NN BBL013917 [0,1,0,0,0,0|2,0,1]=4 56 B6R0.3 CC(C)\C(N)=N\O BBL005403 [0,1,0,0,0,0|1,1,1]=4 57 B6R0.3 COC(=O)C(C)=O BBL027724 [0,1,0,0,0,0|3,0,0]=4 58 B6R0.3 NC(CS)C(=O)O BBL012104 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.4 CC(=O)CCCCl BBL010617 [0,1,0,0,0,0|2,0,1]=4 60 B6R0.4 CC(=O)NCCN BBL027688 [0,1,0,0,0,0|2,0,1]=4 61 B6R0.4 CC(C)OCCCl BBL030951 [0,1,0,0,0,0|1,0,2]=4 62 B6R0.4 CCCCC(C)=O BBL011434 [0,1,0,0,0,0|2,0,1]=4 63 B6R0.4 CN(C)CCC#N BBL013139 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.4 CN(C)CCCO BBL011401 [0,1,0,0,0,0|1,1,1]=4 65 B6R0.5 C[N+](C)(C)CCO BBL005532 [0,1,0,0,0,0|1,1,1]=4 66 B6R1.2 ClC1=NSN=C1 BBL033325 [0,0,0,1,0,0|3,0,0]=4 67 B6R1.2 NC1=NCCC1 BBL031757 [0,0,0,1,0,0|3,0,0]=4 68 B6R1.2 O=C1C=CCC1 BBL100014 [0,0,0,1,0,0|2,0,1]=4 69 B6R1.2 O=C1CCSC1 BBL027522 [0,0,0,1,0,0|1,0,1]=3 70 B3R0.1 CNC=O BBL027430 [2,0,0,0,0,0|1,1,0]=4 71 B3R0.1 O=CC=O BBL011519 [2,0,0,0,0,0|1,1,0]=4 72 B3R0.1 SCCS BBL011363 [2,0,0,0,0,0|1,0,1]=4 73 B3R0.2 CC(C)Br BBL027287 [2,0,0,0,0,0|1,0,1]=4 74 B3R0.2 CC(C)I BBL012222 [2,0,0,0,0,0|1,0,1]=4 75 B5R0.3 C=CC(=O)OC BBL011432 [1,1,0,0,0,0|1,0,1]=4 76 B5R0.3 CCC(=O)CC BBL027755 [1,1,0,0,0,0|1,0,1]=4 77 B5R0.3 CNC(=O)NC BBL011513 [1,1,0,0,0,0|2,0,0]=4 78 B5R0.3 COC(=O)CO BBL009725 [1,1,0,0,0,0|1,1,0]=4 79 B5R0.3 COC(=O)CS BBL011360 [1,1,0,0,0,0|1,0,0]=3 80 B5R0.4 CC(C)(N)CO BBL023024 [1,1,0,0,0,0|0,1,1]=4 81 B5R0.5 C=C(C)C(=O)Cl BBL010941 [1,1,0,0,0,0|0,1,1]=4 82 B5R0.5 C=C(C)C(=O)O BBL011616 [1,1,0,0,0,0|0,1,1]=4 83 B5R0.5 C=C(C)C(N)=O BBL011416 [1,1,0,0,0,0|0,1,1]=4 84 B5R0.5 CC(=O)C(=O)O BBL027390 [1,1,0,0,0,0|1,1,0]=4 85 B5R0.5 CC(=O)C(F)F BBL039784 [1,1,0,0,0,0|2,0,0]=4 86 B5R0.5 CC(C)C(=N)N BBL011900 [1,1,0,0,0,0|1,0,1]=4 87 B5R0.5 CC(S)C(=O)O BBL011561 [1,1,0,0,0,0|2,0,0]=4 88 B5R0.5 CN(C)C(=N)N BBL029880 [1,1,0,0,0,0|2,0,0]=4 89 B5R0.5 CN(C)C(=O)Cl BBL027301 [1,1,0,0,0,0|1,1,0]=4 90 B5R0.5 CN(C)C(=S)Cl BBL027489 [1,1,0,0,0,0|1,0,1]=4 91 B5R0.5 CN(C)C(=S)[S-] BBL012267 [1,1,0,0,0,0|1,0,1]=4 92 B7R0.2 CC(C)NC(=O)CN BBL030729 [0,2,0,0,0,0|1,0,1]=4 93 B7R0.3 COC(=O)\C=C\CBr BBL011112 [0,2,0,0,0,0|2,0,0]=4 94 B7R0.5 C=C(C)C(=O)OCC BBL011403 [0,2,0,0,0,0|1,0,1]=4 95 B7R0.5 CCOC(=O)C(C)=O BBL027737 [0,2,0,0,0,0|2,0,0]=4 96 B7R0.12 CCN(CC)CCS BBL011336 [0,2,0,0,0,0|1,0,1]=4 97 B7R0.6 CC(=O)\C=C\C(C)C BBL027791 [0,2,0,0,0,0|2,0,0]=4 98 B5R1.3 NCC1CC1 BBL027928 [1,0,0,1,0,0|1,0,1]=4 99 B5R1.3 O=CC1CC1 BBL034662 [1,0,0,1,0,0|0,1,1]=4 100 B7R1.1 CNC1CCSC1 BBL035010 [0,1,0,1,0,0|0,0,2]=4 101 B7R1.4 CC1=CC=NN1C BBL029437 [0,1,0,1,0,0|1,0,1]=4