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|1,1,0]=2 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|2,0,0]=3 6 B2R0.1 CON BBL028003 [1,0,0,0,0,0|2,0,0]=3 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|0,0,2]=3 9 B2R0.1 N=CN BBL011114 [1,0,0,0,0,0|0,0,0]=1 10 B4R0.1 C#CC(=O)O BBL011346 [0,1,0,0,0,0|2,0,0]=3 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|2,0,1]=4 13 B4R0.1 CC(=O)CCl BBL036265 [0,1,0,0,0,0|2,0,1]=4 14 B4R0.1 CC(=O)CO BBL011436 [0,1,0,0,0,0|2,0,0]=3 15 B4R0.1 CC(=O)NN BBL018600 [0,1,0,0,0,0|1,0,1]=3 16 B4R0.1 CC(N)CN BBL027674 [0,1,0,0,0,0|1,0,2]=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|1,0,1]=3 19 B4R0.1 CC(O)CO BBL011472 [0,1,0,0,0,0|2,0,1]=4 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|1,0,0]=2 22 B4R0.1 CNC(N)=O BBL013131 [0,1,0,0,0,0|0,0,2]=3 23 B4R0.1 COC(=N)N BBL009722 [0,1,0,0,0,0|0,0,0]=1 24 B4R0.1 COC(=O)Cl BBL011482 [0,1,0,0,0,0|2,0,0]=3 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|0,1,0]=2 27 B4R0.1 C\C(N)=N\O BBL005334 [0,1,0,0,0,0|1,0,0]=2 28 B4R0.1 NC(=O)NO BBL009928 [0,1,0,0,0,0|1,0,0]=2 29 B4R0.1 NCC(F)F BBL104334 [0,1,0,0,0,0|2,0,1]=4 30 B4R0.1 NNC(N)=O BBL012207 [0,1,0,0,0,0|0,0,2]=3 31 B4R0.1 O=C(Br)CBr BBL027286 [0,1,0,0,0,0|2,0,1]=4 32 B4R0.1 O=C(Cl)CCl BBL013127 [0,1,0,0,0,0|2,0,1]=4 33 B4R0.1 O=C(O)CCl BBL037260 [0,1,0,0,0,0|2,0,0]=3 34 B4R0.1 OCC(F)F BBL038231 [0,1,0,0,0,0|2,0,1]=4 35 B4R0.3 NS(N)(=O)=O BBL019229 [0,1,0,0,0,0|1,0,2]=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#CCN BBL027696 [1,1,0,0,0,0|1,0,1]=4 39 B3R0.1 C#CCO BBL011350 [1,1,0,0,0,0|1,0,1]=4 40 B3R0.1 CN=C=S BBL011120 [1,1,0,0,0,0|0,1,1]=4 41 B3R0.1 CNC=O BBL027430 [1,1,0,0,0,0|0,0,1]=3 42 B3R0.1 N#CCN BBL009721 [1,1,0,0,0,0|0,0,2]=4 43 B3R0.1 NCCCl BBL011524 [1,1,0,0,0,0|1,0,1]=4 44 B3R0.1 O=CC=O BBL011519 [1,1,0,0,0,0|1,0,1]=4 45 B3R0.1 OCCCl BBL011477 [1,1,0,0,0,0|1,0,1]=4 46 B3R0.1 OCCF BBL027407 [1,1,0,0,0,0|1,0,1]=4 47 B3R0.1 OCCI BBL037216 [1,1,0,0,0,0|1,0,1]=4 48 B5R0.1 C=C(C)CCO BBL027415 [0,2,0,0,0,0|2,0,0]=4 49 B5R0.1 C=COC(C)=O BBL036266 [0,2,0,0,0,0|2,0,0]=4 50 B5R0.1 CC(=O)CCO BBL028076 [0,2,0,0,0,0|2,0,0]=4 51 B5R0.1 CC(C)=CCO BBL011665 [0,2,0,0,0,0|2,0,0]=4 52 B5R0.1 CCOC(=O)Cl BBL011487 [0,2,0,0,0,0|2,0,0]=4 53 B5R0.1 CNCC(=O)O BBL009707 [0,2,0,0,0,0|1,0,0]=3 54 B5R0.1 CNCC(N)=O BBL011928 [0,2,0,0,0,0|0,0,2]=4 55 B5R0.1 COCC(=O)Cl BBL027308 [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|2,0,0]=4 57 B5R0.1 N#CN=C(N)N BBL009709 [0,2,0,0,0,0|1,0,0]=3 58 B5R0.1 NC(=O)CCCl BBL011453 [0,2,0,0,0,0|1,0,1]=4 59 B5R0.1 NCCC(=O)O BBL037332 [0,2,0,0,0,0|1,0,0]=3 60 B5R0.1 O=C(O)CCCl BBL012215 [0,2,0,0,0,0|2,0,0]=4 61 B5R0.3 C=CC(=O)OC BBL011432 [0,2,0,0,0,0|2,0,0]=4 62 B5R0.3 CCC(=O)NN BBL036933 [0,2,0,0,0,0|1,0,1]=4 63 B5R0.3 CCC(=O)NO BBL011342 [0,2,0,0,0,0|1,0,1]=4 64 B5R0.3 CCC(N)CO BBL027677 [0,2,0,0,0,0|1,0,1]=4 65 B5R0.3 CNC(=O)NC BBL011513 [0,2,0,0,0,0|0,0,2]=4 66 B5R0.3 CNC(=S)NN BBL003412 [0,2,0,0,0,0|0,1,1]=4 67 B5R0.3 COC(=O)CO BBL009725 [0,2,0,0,0,0|2,0,0]=4 68 B5R0.3 COC(=O)CS BBL011360 [0,2,0,0,0,0|2,0,0]=4 69 B5R0.3 COC(=O)NN BBL027646 [0,2,0,0,0,0|1,0,0]=3 70 B5R0.3 N=C(NN)NN BBL012258 [0,2,0,0,0,0|1,0,0]=3 71 B5R0.3 NCC(O)CN BBL011378 [0,2,0,0,0,0|0,0,2]=4 72 B5R0.4 CC(C)(N)CO BBL023024 [0,2,0,0,0,0|1,0,1]=4 73 B5R0.4 NCS(=O)(=O)O BBL027684 [0,2,0,0,0,0|2,0,0]=4 74 B5R0.4 NOS(=O)(=O)O BBL011058 [0,2,0,0,0,0|2,0,0]=4 75 B5R0.5 C=C(C)C(=O)O BBL011616 [0,2,0,0,0,0|2,0,0]=4 76 B5R0.5 C=C(C)C(N)=O BBL011416 [0,2,0,0,0,0|1,0,1]=4 77 B5R0.5 CC(=O)C(=O)O BBL027390 [0,2,0,0,0,0|2,0,0]=4 78 B5R0.5 CC(C)C(=N)N BBL011900 [0,2,0,0,0,0|1,0,0]=3 79 B5R0.5 CC(O)C(=O)O BBL027466 [0,2,0,0,0,0|2,0,0]=4 80 B5R0.5 CC(O)C(N)=O BBL012097 [0,2,0,0,0,0|1,0,0]=3 81 B5R0.5 CC(S)C(=O)O BBL011561 [0,2,0,0,0,0|2,0,0]=4 82 B5R0.5 CN(C)C(=N)N BBL029880 [0,2,0,0,0,0|1,0,0]=3 83 B5R0.5 CN(C)C(=O)Cl BBL027301 [0,2,0,0,0,0|1,0,1]=4 84 B5R0.5 CN(C)C(=S)Cl BBL027489 [0,2,0,0,0,0|1,1,0]=4 85 B5R0.5 CN(C)C(=S)[S-] BBL012267 [0,2,0,0,0,0|1,1,0]=4 86 B5R0.5 C[C@H](N)C(N)=O BBL011232 [0,2,0,0,0,0|0,0,2]=4 87 B5R0.5 NC(=O)C(Cl)Cl BBL013005 [0,2,0,0,0,0|1,0,1]=4 88 B5R0.5 O=C(O)C(=O)O BBL003000 [0,2,0,0,0,0|2,0,0]=4 89 B5R0.5 O=C(O)C(Cl)Cl BBL011449 [0,2,0,0,0,0|2,0,0]=4 90 B5R1.2 OC1CNC1 BBL023120 [0,1,0,1,0,0|1,0,1]=4