0 B3R0.2 CC(C)Br BBL027287 [0,0,0,0,0,0|3,0,1]=4 1 B3R0.2 CC(C)I BBL012222 [0,0,0,0,0,0|3,0,1]=4 2 B3R0.2 NC(=S)[S-] BBL035348 [0,0,0,0,0,0|1,2,0]=3 3 B3R0.2 S=C(Cl)Cl BBL027488 [0,0,0,0,0,0|2,1,0]=3 4 B2R0.1 CCI BBL034620 [1,0,0,0,0,0|2,0,1]=4 5 B2R0.1 CNN BBL011339 [1,0,0,0,0,0|3,0,0]=4 6 B2R0.1 CON BBL028003 [1,0,0,0,0,0|3,0,0]=4 7 B2R0.1 ICI BBL011419 [1,0,0,0,0,0|2,0,1]=4 8 B2R0.1 N#CN BBL027645 [1,0,0,0,0,0|2,0,1]=4 9 B2R0.1 N=CN BBL011114 [1,0,0,0,0,0|2,0,0]=3 10 B4R0.1 C#CC(=O)O BBL011346 [0,1,0,0,0,0|1,0,0]=2 11 B4R0.1 C#CC(C)O BBL013177 [0,1,0,0,0,0|2,0,1]=4 12 B4R0.1 C=C(C)C#N BBL011404 [0,1,0,0,0,0|3,0,0]=4 13 B4R0.1 CC(=O)CCl BBL036265 [0,1,0,0,0,0|2,0,0]=3 14 B4R0.1 CC(=O)CO BBL011436 [0,1,0,0,0,0|1,0,0]=2 15 B4R0.1 CC(=O)NN BBL018600 [0,1,0,0,0,0|2,0,0]=3 16 B4R0.1 CC(C)C=O BBL034648 [0,1,0,0,0,0|2,0,1]=4 17 B4R0.1 CC(O)CCl BBL011446 [0,1,0,0,0,0|2,0,1]=4 18 B4R0.1 CC(O)CN BBL027685 [0,1,0,0,0,0|2,0,1]=4 19 B4R0.1 CC(O)CO BBL011472 [0,1,0,0,0,0|1,0,1]=3 20 B4R0.1 CCC(C)O BBL011463 [0,1,0,0,0,0|2,0,1]=4 21 B4R0.1 CNC(=N)N BBL011356 [0,1,0,0,0,0|3,0,0]=4 22 B4R0.1 CNC(N)=O BBL013131 [0,1,0,0,0,0|2,0,0]=3 23 B4R0.1 COC(=N)N BBL009722 [0,1,0,0,0,0|2,0,0]=3 24 B4R0.1 COC(=O)Cl BBL011482 [0,1,0,0,0,0|1,0,0]=2 25 B4R0.1 COC(N)=O BBL011430 [0,1,0,0,0,0|1,0,0]=2 26 B4R0.1 CSC(=N)N BBL013049 [0,1,0,0,0,0|2,1,0]=4 27 B4R0.1 C\C(N)=N\O BBL005334 [0,1,0,0,0,0|2,0,0]=3 28 B4R0.1 NC(=O)NO BBL009928 [0,1,0,0,0,0|1,0,0]=2 29 B4R0.1 NNC(N)=O BBL012207 [0,1,0,0,0,0|2,0,0]=3 30 B4R0.1 O=C(Br)CBr BBL027286 [0,1,0,0,0,0|2,0,0]=3 31 B4R0.1 O=C(Cl)CCl BBL013127 [0,1,0,0,0,0|2,0,0]=3 32 B4R0.1 O=C(O)CCl BBL037260 [0,1,0,0,0,0|1,0,0]=2 33 B4R0.1 OCC(F)F BBL038231 [0,1,0,0,0,0|2,0,1]=4 34 B4R0.3 NS(N)(=O)=O BBL019229 [0,1,0,0,0,0|2,0,1]=4 35 B4R0.3 O=P(Br)(Br)Br BBL036466 [0,1,0,0,0,0|3,0,0]=4 36 B1R0.1 CI BBL034228 [2,0,0,0,0,0|1,0,1]=4 37 B1R0.1 C[S-] BBL035347 [2,0,0,0,0,0|0,1,1]=4 38 B3R0.1 C#CCO BBL011350 [1,1,0,0,0,0|1,0,1]=4 39 B3R0.1 CNC=O BBL027430 [1,1,0,0,0,0|1,0,0]=3 40 B3R0.1 O=CC=O BBL011519 [1,1,0,0,0,0|0,0,1]=3 41 B3R0.1 OCCCl BBL011477 [1,1,0,0,0,0|1,0,1]=4 42 B3R0.1 OCCF BBL027407 [1,1,0,0,0,0|1,0,1]=4 43 B3R0.1 OCCI BBL037216 [1,1,0,0,0,0|1,0,1]=4 44 B5R0.1 C=C(C)CCO BBL027415 [0,2,0,0,0,0|2,0,0]=4 45 B5R0.1 C=COC(C)=O BBL036266 [0,2,0,0,0,0|1,0,0]=3 46 B5R0.1 CC(=O)CCO BBL028076 [0,2,0,0,0,0|1,0,0]=3 47 B5R0.1 CC(C)=CCO BBL011665 [0,2,0,0,0,0|2,0,0]=4 48 B5R0.1 CC(O)CCO BBL037424 [0,2,0,0,0,0|1,0,1]=4 49 B5R0.1 CCCC(=O)Cl BBL011417 [0,2,0,0,0,0|2,0,0]=4 50 B5R0.1 CCOC(=O)Cl BBL011487 [0,2,0,0,0,0|1,0,0]=3 51 B5R0.1 CNCC(=O)O BBL009707 [0,2,0,0,0,0|1,0,0]=3 52 B5R0.1 CNCC(N)=O BBL011928 [0,2,0,0,0,0|2,0,0]=4 53 B5R0.1 COCC(=O)Cl BBL027308 [0,2,0,0,0,0|1,0,0]=3 54 B5R0.1 CSCC(C)=O BBL100878 [0,2,0,0,0,0|1,1,0]=4 55 B5R0.1 C\C=C\C(=O)Cl BBL011366 [0,2,0,0,0,0|2,0,0]=4 56 B5R0.1 C\C=C\C(=O)O BBL027395 [0,2,0,0,0,0|1,0,0]=3 57 B5R0.1 NC(=O)CCCl BBL011453 [0,2,0,0,0,0|2,0,0]=4 58 B5R0.1 NCCC(=O)O BBL037332 [0,2,0,0,0,0|1,0,0]=3 59 B5R0.1 O=C(Cl)CCBr BBL011521 [0,2,0,0,0,0|2,0,0]=4 60 B5R0.1 O=C(O)CCCl BBL012215 [0,2,0,0,0,0|1,0,0]=3 61 B5R0.3 C=CC(=O)OC BBL011432 [0,2,0,0,0,0|1,0,0]=3 62 B5R0.3 CCC(=O)CC BBL027755 [0,2,0,0,0,0|2,0,0]=4 63 B5R0.3 CCC(=O)NN BBL036933 [0,2,0,0,0,0|2,0,0]=4 64 B5R0.3 CCC(=O)NO BBL011342 [0,2,0,0,0,0|1,0,0]=3 65 B5R0.3 CNC(=O)NC BBL011513 [0,2,0,0,0,0|2,0,0]=4 66 B5R0.3 COC(=O)CO BBL009725 [0,2,0,0,0,0|0,0,0]=2 67 B5R0.3 COC(=O)CS BBL011360 [0,2,0,0,0,0|0,1,0]=3 68 B5R0.3 COC(=O)NN BBL027646 [0,2,0,0,0,0|1,0,0]=3 69 B5R0.3 OCC(O)CCl BBL011374 [0,2,0,0,0,0|1,0,1]=4 70 B5R0.4 NCS(=O)(=O)O BBL027684 [0,2,0,0,0,0|1,0,1]=4 71 B5R0.4 NOS(=O)(=O)O BBL011058 [0,2,0,0,0,0|1,0,0]=3 72 B5R0.5 C=C(C)C(=O)Cl BBL010941 [0,2,0,0,0,0|2,0,0]=4 73 B5R0.5 C=C(C)C(=O)O BBL011616 [0,2,0,0,0,0|1,0,0]=3 74 B5R0.5 C=C(C)C(N)=O BBL011416 [0,2,0,0,0,0|2,0,0]=4 75 B5R0.5 CC(=O)C(=O)O BBL027390 [0,2,0,0,0,0|0,0,1]=3 76 B5R0.5 CC(=O)C(F)F BBL039784 [0,2,0,0,0,0|2,0,0]=4 77 B5R0.5 CC(O)C(=O)O BBL027466 [0,2,0,0,0,0|0,0,0]=2 78 B5R0.5 CC(O)C(N)=O BBL012097 [0,2,0,0,0,0|1,0,0]=3 79 B5R0.5 CC(S)C(=O)O BBL011561 [0,2,0,0,0,0|0,1,0]=3 80 B5R0.5 CN(C)C(=O)Cl BBL027301 [0,2,0,0,0,0|2,0,0]=4 81 B5R0.5 C[C@H](N)C(N)=O BBL011232 [0,2,0,0,0,0|2,0,0]=4 82 B5R0.5 NC(=O)C(Cl)Cl BBL013005 [0,2,0,0,0,0|2,0,0]=4 83 B5R0.5 O=C(Cl)C(=O)Cl BBL011493 [0,2,0,0,0,0|1,0,1]=4 84 B5R0.5 O=C(Cl)C(Cl)Cl BBL011412 [0,2,0,0,0,0|2,0,0]=4 85 B5R0.5 O=C(O)C(=O)O BBL003000 [0,2,0,0,0,0|0,0,0]=2 86 B5R0.5 O=C(O)C(Cl)Cl BBL011449 [0,2,0,0,0,0|1,0,0]=3