0 B4R0.1 C#CC(C)O BBL013177 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 C=C(C)C#N BBL011404 [0,0,0,0,0,0|1,0,3]=4 2 B4R0.1 CC(=O)CCl BBL036265 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.1 CC(=O)CO BBL011436 [0,0,0,0,0,0|1,0,3]=4 4 B4R0.1 CC(=O)NN BBL018600 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 CC(C)C=O BBL034648 [0,0,0,0,0,0|0,0,0]=0 6 B4R0.1 CC(C)CBr BBL036259 [0,0,0,0,0,0|1,0,1]=2 7 B4R0.1 CC(N)CN BBL027674 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 CC(O)CCl BBL011446 [0,0,0,0,0,0|2,0,1]=3 9 B4R0.1 CC(O)CN BBL027685 [0,0,0,0,0,0|2,0,1]=3 10 B4R0.1 CC(O)CO BBL011472 [0,0,0,0,0,0|1,0,2]=3 11 B4R0.1 CCC(C)O BBL011463 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.1 C\C(N)=N\O BBL005334 [0,0,0,0,0,0|2,0,2]=4 13 B4R0.1 NCC(F)F BBL104334 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.1 OCC(F)F BBL038231 [0,0,0,0,0,0|2,0,2]=4 15 B3R0.1 C#CCN BBL027696 [1,0,0,0,0,0|2,0,1]=4 16 B3R0.1 C#CCO BBL011350 [1,0,0,0,0,0|2,0,1]=4 17 B3R0.1 CN=C=S BBL011120 [1,0,0,0,0,0|1,1,1]=4 18 B3R0.1 CNC=O BBL027430 [1,0,0,0,0,0|1,0,0]=2 19 B3R0.1 ClCCBr BBL011345 [1,0,0,0,0,0|2,0,1]=4 20 B3R0.1 N#CCN BBL009721 [1,0,0,0,0,0|2,0,1]=4 21 B3R0.1 NCCCl BBL011524 [1,0,0,0,0,0|2,0,1]=4 22 B3R0.1 O=CC=O BBL011519 [1,0,0,0,0,0|1,0,1]=3 23 B3R0.1 OCCCl BBL011477 [1,0,0,0,0,0|1,0,2]=4 24 B3R0.1 OCCF BBL027407 [1,0,0,0,0,0|1,0,2]=4 25 B3R0.1 OCCI BBL037216 [1,0,0,0,0,0|1,0,2]=4 26 B3R0.1 SCCS BBL011363 [1,0,0,0,0,0|1,1,1]=4 27 B3R0.2 CC(C)Br BBL027287 [1,0,0,0,0,0|1,0,0]=2 28 B3R0.2 CC(C)I BBL012222 [1,0,0,0,0,0|1,0,0]=2 29 B5R0.1 C#CCN(C)C BBL027718 [0,1,0,0,0,0|2,0,1]=4 30 B5R0.1 C=COC(C)=O BBL036266 [0,1,0,0,0,0|2,0,1]=4 31 B5R0.1 CC(C)=CCO BBL011665 [0,1,0,0,0,0|0,0,2]=3 32 B5R0.1 CC(C)CC=O BBL027631 [0,1,0,0,0,0|0,0,0]=1 33 B5R0.1 CC(C)CCBr BBL011503 [0,1,0,0,0,0|1,0,1]=3 34 B5R0.1 CC(C)CCS BBL027486 [0,1,0,0,0,0|0,1,1]=3 35 B5R0.1 CC(C)N=C=O BBL037676 [0,1,0,0,0,0|0,0,1]=2 36 B5R0.1 CC(O)CCO BBL037424 [0,1,0,0,0,0|1,0,2]=4 37 B5R0.1 CCCC(C)O BBL011460 [0,1,0,0,0,0|2,0,1]=4 38 B5R0.3 C=CC(=O)OC BBL011432 [0,1,0,0,0,0|2,0,1]=4 39 B5R0.3 CCC(N)CO BBL027677 [0,1,0,0,0,0|1,0,2]=4 40 B5R0.3 ClCC(Cl)CCl BBL010950 [0,1,0,0,0,0|2,0,1]=4 41 B5R0.3 NCC(O)CN BBL011378 [0,1,0,0,0,0|2,0,1]=4 42 B5R0.3 OCC(O)CCl BBL011374 [0,1,0,0,0,0|1,0,2]=4 43 B5R0.4 C#CC(C)(C)O BBL011368 [0,1,0,0,0,0|1,0,1]=3 44 B5R0.4 CC(C)(C)NN BBL036306 [0,1,0,0,0,0|2,0,0]=3 45 B5R0.4 CC(C)(N)CO BBL023024 [0,1,0,0,0,0|0,0,2]=3 46 B5R0.4 CC(C)(O)C#N BBL011349 [0,1,0,0,0,0|1,0,1]=3 47 B5R0.4 C[Si](C)(C)C#N BBL036271 [0,1,0,0,0,0|1,1,1]=4 48 B5R0.5 C=C(C)C(=O)Cl BBL010941 [0,1,0,0,0,0|0,0,2]=3 49 B5R0.5 C=C(C)C(=O)O BBL011616 [0,1,0,0,0,0|0,0,2]=3 50 B5R0.5 C=C(C)C(N)=O BBL011416 [0,1,0,0,0,0|0,0,2]=3 51 B5R0.5 CC(=O)C(=O)O BBL027390 [0,1,0,0,0,0|1,0,1]=3 52 B5R0.5 CC(=O)C(F)F BBL039784 [0,1,0,0,0,0|2,0,0]=3 53 B5R0.5 CC(C)C(=N)N BBL011900 [0,1,0,0,0,0|1,0,0]=2 54 B5R0.5 CC(C)[N+](=O)[O-] BBL011484 [0,1,0,0,0,0|1,0,0]=2 55 B5R0.5 CC(O)C(=O)O BBL027466 [0,1,0,0,0,0|1,0,0]=2 56 B5R0.5 CC(O)C(N)=O BBL012097 [0,1,0,0,0,0|1,0,0]=2 57 B5R0.5 CC(S)C(=O)O BBL011561 [0,1,0,0,0,0|1,0,0]=2 58 B5R0.5 CN(C)C(=N)N BBL029880 [0,1,0,0,0,0|2,0,0]=3 59 B5R0.5 CN(C)C(=O)Cl BBL027301 [0,1,0,0,0,0|1,0,0]=2 60 B5R0.5 CN(C)C(=S)Cl BBL027489 [0,1,0,0,0,0|1,1,0]=3 61 B5R0.5 CN(C)C(=S)[S-] BBL012267 [0,1,0,0,0,0|1,1,0]=3 62 B5R0.5 C[C@H](N)C(N)=O BBL011232 [0,1,0,0,0,0|1,0,0]=2 63 B5R0.5 NC(=O)C(Cl)Cl BBL013005 [0,1,0,0,0,0|2,0,0]=3 64 B5R0.5 O=C(Cl)C(=O)Cl BBL011493 [0,1,0,0,0,0|2,0,1]=4 65 B5R0.5 O=C(Cl)C(Cl)Cl BBL011412 [0,1,0,0,0,0|2,0,0]=3 66 B5R0.5 O=C(O)C(=O)O BBL003000 [0,1,0,0,0,0|2,0,1]=4 67 B5R0.5 O=C(O)C(Cl)Cl BBL011449 [0,1,0,0,0,0|2,0,0]=3 68 B5R1.2 OC1CNC1 BBL023120 [0,0,0,1,0,0|2,0,1]=4 69 B5R1.3 CCC1CO1 BBL011530 [0,0,0,1,0,0|2,0,1]=4 70 B5R1.3 NCC1CC1 BBL027928 [0,0,0,1,0,0|1,0,1]=3 71 B5R1.3 O=CC1CC1 BBL034662 [0,0,0,1,0,0|0,0,0]=1 72 B2R0.1 CCI BBL034620 [2,0,0,0,0,0|1,0,0]=3 73 B2R0.1 CNN BBL011339 [2,0,0,0,0,0|2,0,0]=4 74 B2R0.1 CON BBL028003 [2,0,0,0,0,0|2,0,0]=4 75 B2R0.1 ICI BBL011419 [2,0,0,0,0,0|2,0,0]=4 76 B2R0.1 N=CN BBL011114 [2,0,0,0,0,0|2,0,0]=4 77 B4R0.2 BrCCCBr BBL011375 [1,1,0,0,0,0|1,0,1]=4 78 B4R0.2 CCCCCl BBL012221 [1,1,0,0,0,0|1,0,1]=4 79 B4R0.2 CCCCI BBL027320 [1,1,0,0,0,0|1,0,1]=4 80 B4R0.2 CCCCN BBL027788 [1,1,0,0,0,0|1,0,1]=4 81 B4R0.2 CNCCN BBL027689 [1,1,0,0,0,0|1,0,1]=4 82 B4R0.2 CNCCO BBL027408 [1,1,0,0,0,0|0,0,2]=4 83 B4R0.2 C\C=C\C#N BBL036260 [1,1,0,0,0,0|1,0,1]=4 84 B4R0.2 C\C=C\C=O BBL011428 [1,1,0,0,0,0|0,0,1]=3 85 B4R0.2 C\C=C\CO BBL027414 [1,1,0,0,0,0|0,0,2]=4 86 B4R0.2 N#CCCBr BBL011566 [1,1,0,0,0,0|1,0,1]=4 87 B4R0.2 N#CCCO BBL027405 [1,1,0,0,0,0|1,0,1]=4 88 B4R0.2 NCCCBr BBL010090 [1,1,0,0,0,0|1,0,1]=4 89 B4R0.2 NCCCCl BBL009705 [1,1,0,0,0,0|1,0,1]=4 90 B4R0.2 NCCCN BBL027701 [1,1,0,0,0,0|1,0,1]=4 91 B4R0.2 NNCCO BBL027648 [1,1,0,0,0,0|2,0,0]=4 92 B4R0.2 OCCCBr BBL027416 [1,1,0,0,0,0|0,0,2]=4 93 B4R0.3 CC(C)(C)[O-] BBL011485 [1,1,0,0,0,0|0,0,1]=3 94 B6R0.1 CCC(C)N=C=O BBL037641 [0,2,0,0,0,0|0,0,1]=3 95 B6R0.1 CCC(C)N=C=S BBL027965 [0,2,0,0,0,0|0,1,1]=4 96 B6R0.1 CNCC(C)OC BBL003985 [0,2,0,0,0,0|1,0,1]=4 97 B6R0.2 CC(C)=CC(=O)Cl BBL027309 [0,2,0,0,0,0|0,0,1]=3 98 B6R0.2 CC(C)CC(=O)Cl BBL027310 [0,2,0,0,0,0|0,0,0]=2 99 B6R0.2 CC(C)CC(=O)O BBL027399 [0,2,0,0,0,0|0,0,0]=2 100 B6R0.2 CC(C)OC(=S)[S-] BBL011317 [0,2,0,0,0,0|0,1,0]=3 101 B6R0.2 CC(O)CC(=O)O BBL027467 [0,2,0,0,0,0|1,0,0]=3 102 B6R0.2 CN(C)CC(N)=S BBL029022 [0,2,0,0,0,0|1,1,0]=4 103 B6R0.3 CC(C)C(=O)NN BBL013917 [0,2,0,0,0,0|0,0,0]=2 104 B6R0.3 CC(C)\C(N)=N\O BBL005403 [0,2,0,0,0,0|0,0,1]=3 105 B6R0.3 CCC(Br)C(=O)O BBL011564 [0,2,0,0,0,0|1,0,0]=3 106 B6R0.3 CCC(N)C(=O)O BBL012213 [0,2,0,0,0,0|1,0,0]=3 107 B6R0.3 CNC(=O)C(C)N BBL012983 [0,2,0,0,0,0|1,0,0]=3 108 B6R0.3 CNC(C)C(=O)O BBL022510 [0,2,0,0,0,0|0,0,0]=2 109 B6R0.3 COC(=O)C(C)=O BBL027724 [0,2,0,0,0,0|1,0,1]=4 110 B6R0.3 COC(=O)C(C)Cl BBL100013 [0,2,0,0,0,0|1,0,0]=3 111 B6R0.3 C\C=C(\C)C(=O)O BBL012257 [0,2,0,0,0,0|0,0,1]=3 112 B6R0.3 NC(CO)C(=O)O BBL012102 [0,2,0,0,0,0|1,0,0]=3 113 B6R0.3 NC(CS)C(=O)O BBL012104 [0,2,0,0,0,0|1,0,0]=3 114 B6R0.4 CC(C)CN=C=S BBL027869 [0,2,0,0,0,0|0,1,1]=4 115 B6R0.4 CC(C)OCCCl BBL030951 [0,2,0,0,0,0|1,0,1]=4 116 B6R0.5 CC(C)(C)N=C=S BBL027481 [0,2,0,0,0,0|0,1,1]=4 117 B6R0.5 CNCC(C)(C)C BBL023208 [0,2,0,0,0,0|1,0,1]=4 118 B6R0.8 CC(N)(CO)CO BBL027473 [0,2,0,0,0,0|0,0,2]=4 119 B6R0.9 COC(CCl)OC BBL011494 [0,2,0,0,0,0|1,0,1]=4 120 B6R0.9 COC(CN)OC BBL011384 [0,2,0,0,0,0|1,0,1]=4 121 B6R0.7 CC(C)(C)C(=O)Cl BBL011382 [0,2,0,0,0,0|0,0,0]=2 122 B6R0.7 CC(C)(N)C(=O)O BBL027672 [0,2,0,0,0,0|0,0,0]=2 123 B6R0.7 CC(C)(N)C(N)=O BBL022550 [0,2,0,0,0,0|0,0,0]=2 124 B6R0.7 CC(C)S(=O)(=O)Cl BBL027642 [0,2,0,0,0,0|1,0,0]=3 125 B6R0.7 CC(N)C(C)(C)C BBL037557 [0,2,0,0,0,0|1,0,1]=4 126 B6R0.7 CN(C)S(=O)(=O)Cl BBL027640 [0,2,0,0,0,0|2,0,0]=4 127 B6R0.7 NC(=O)C(F)(F)F BBL027671 [0,2,0,0,0,0|2,0,0]=4 128 B6R1.3 S=C=NC1CC1 BBL015244 [0,1,0,1,0,0|0,1,1]=4 129 B6R1.11 O=C(Cl)C1CC1 BBL011354 [0,1,0,1,0,0|0,0,0]=2