0 B3R0.2 C(=N)(N)N BC211195 [0,0,0,0,0,0|1,0,0]=1 1 B3R0.2 C(=N)(N)N BC211196 [0,0,0,0,0,0|1,0,0]=1 2 B3R0.2 C(=O)([O-])[O-] BC677659 [0,0,0,0,0,0|2,0,0]=2 3 B3R0.2 C(=S)(Cl)Cl BC654182 [0,0,0,0,0,0|2,1,0]=3 4 B3R0.2 CC(=N)N BC207082 [0,0,0,0,0,0|1,0,1]=2 5 B3R0.2 CC(=O)O BC253535 [0,0,0,0,0,0|2,0,0]=2 6 B3R0.2 CC(=O)[O-] BC213306 [0,0,0,0,0,0|2,0,0]=2 7 B3R0.2 CC(=O)[O-] BC657511 [0,0,0,0,0,0|2,0,0]=2 8 B3R0.2 CC(=O)[O-] BC666701 [0,0,0,0,0,0|2,0,0]=2 9 B3R0.2 Cl[Rh](Cl)Cl BC213304 [0,0,0,0,0,0|4,0,0]=4 10 B3R0.2 Cl[Ti](Cl)Cl BC201927 [0,0,0,0,0,0|4,0,0]=4 11 B3R0.2 P(Br)(Br)Br BC207905 [0,0,0,0,0,0|4,0,0]=4 12 B2R0.1 CSC BC658588 [1,0,0,0,0,0|3,0,0]=4 13 B2R0.1 Cl[Pt]Cl BC213290 [1,0,0,0,0,0|3,0,0]=4 14 B4R0.1 C(=NO)(Br)Br BC665809 [0,1,0,0,0,0|2,0,1]=4 15 B4R0.1 C(=O)C(=O)O BC207995 [0,1,0,0,0,0|2,0,0]=3 16 B4R0.1 C(=O)C(=O)O BC679582 [0,1,0,0,0,0|2,0,0]=3 17 B4R0.1 C(C(=O)N)N BC679380 [0,1,0,0,0,0|0,0,0]=1 18 B4R0.1 C(C(=O)O)Br BC651357 [0,1,0,0,0,0|2,0,0]=3 19 B4R0.1 C(C(=O)O)N BC204500 [0,1,0,0,0,0|1,0,0]=2 20 B4R0.1 C(C(=O)[O-])S BC223764 [0,1,0,0,0,0|2,0,0]=3 21 B4R0.1 C=C(C#N)Cl BC209246 [0,1,0,0,0,0|2,0,1]=4 22 B4R0.1 C=C[N+](=O)[O-] BC245163 [0,1,0,0,0,0|3,0,0]=4 23 B4R0.1 CC(=O)CBr BC253377 [0,1,0,0,0,0|2,0,0]=3 24 B4R0.1 CC(=O)CN BC220002 [0,1,0,0,0,0|1,0,0]=2 25 B4R0.1 CC(=O)NN BC211460 [0,1,0,0,0,0|1,0,0]=2 26 B4R0.1 CCC(=O)Cl BC658482 [0,1,0,0,0,0|2,0,0]=3 27 B4R0.1 CC[C@@H](C)N BC678458 [0,1,0,0,0,0|2,0,1]=4 28 B4R0.1 CN(C)C=O BC206707 [0,1,0,0,0,0|3,0,0]=4 29 B4R0.1 COC(=O)Cl BC225650 [0,1,0,0,0,0|2,0,0]=3 30 B4R0.1 COC(=O)N BC219589 [0,1,0,0,0,0|1,0,0]=2 31 B4R0.1 C[C@@H](CN)N BC200223 [0,1,0,0,0,0|1,0,1]=3 32 B4R0.1 C[C@@H](CO)N BC678138 [0,1,0,0,0,0|1,0,2]=4 33 B4R0.1 C[C@H](CN)N BC202234 [0,1,0,0,0,0|1,0,1]=3 34 B4R0.1 C[C@H](CN)O BC203537 [0,1,0,0,0,0|1,0,2]=4 35 B4R0.3 CC(C)(C)N BC202299 [0,1,0,0,0,0|2,0,1]=4 36 B4R0.3 CS(=O)(=O)Cl BC225692 [0,1,0,0,0,0|3,0,0]=4 37 B4R0.3 CS(=O)(=O)N BC207921 [0,1,0,0,0,0|2,0,0]=3 38 B4R0.3 OP(=O)([O-])[O-] BC667611 [0,1,0,0,0,0|3,0,0]=4 39 B4R0.3 O[W](=O)(=O)O BC204521 [0,1,0,0,0,0|3,0,0]=4 40 B3R0.1 C#CC=O BC221012 [1,1,0,0,0,0|1,0,0]=3 41 B3R0.1 C#CCN BC205260 [1,1,0,0,0,0|1,0,1]=4 42 B3R0.1 C#CCN BC652391 [1,1,0,0,0,0|1,0,1]=4 43 B3R0.1 C(C#N)N BC226079 [1,1,0,0,0,0|0,0,2]=4 44 B3R0.1 C(C#N)N BC251564 [1,1,0,0,0,0|0,0,2]=4 45 B3R0.1 C(CCl)N BC209331 [1,1,0,0,0,0|1,0,1]=4 46 B3R0.1 C(CO)N BC202305 [1,1,0,0,0,0|0,0,2]=4 47 B3R0.1 C(CS)N BC214793 [1,1,0,0,0,0|0,1,1]=4 48 B3R0.1 C=CCO BC201967 [1,1,0,0,0,0|1,0,1]=4 49 B3R0.1 CNOC BC205383 [1,1,0,0,0,0|2,0,0]=4 50 B5R0.1 C(#N)NC(=N)N BC206866 [0,2,0,0,0,0|1,0,0]=3 51 B5R0.1 C(CN)C(=O)O BC219368 [0,2,0,0,0,0|1,0,0]=3 52 B5R0.1 C(CS)C(=O)O BC226809 [0,2,0,0,0,0|2,0,0]=4 53 B5R0.1 CC(=O)\C=N/O BC671081 [0,2,0,0,0,0|1,0,1]=4 54 B5R0.1 CCCC(=[NH2+])N BC202602 [0,2,0,0,0,0|1,0,1]=4 55 B5R0.1 CCOC(=O)Cl BC222115 [0,2,0,0,0,0|2,0,0]=4 56 B5R0.1 CSCC(=N)N BC223707 [0,2,0,0,0,0|0,1,1]=4 57 B5R0.1 C\C=C\C(=O)O BC206359 [0,2,0,0,0,0|2,0,0]=4 58 B5R0.3 C(C(=O)CO)O BC200545 [0,2,0,0,0,0|2,0,0]=4 59 B5R0.3 C(C(CN)O)N BC203604 [0,2,0,0,0,0|0,0,2]=4 60 B5R0.3 COC(=O)C=C BC222749 [0,2,0,0,0,0|2,0,0]=4 61 B5R0.3 COC(=O)C=O BC202567 [0,2,0,0,0,0|2,0,0]=4 62 B5R0.3 COC(=O)CN BC215108 [0,2,0,0,0,0|1,0,0]=3 63 B5R0.3 COC(=O)OC BC205807 [0,2,0,0,0,0|2,0,0]=4 64 B5R0.4 CCS(=O)(=O)N BC243556 [0,2,0,0,0,0|2,0,0]=4 65 B5R0.4 CNS(=O)(=O)C BC205544 [0,2,0,0,0,0|2,0,0]=4 66 B5R0.4 CNS(=O)(=O)Cl BC221005 [0,2,0,0,0,0|2,0,0]=4 67 B5R0.5 CC(=C)C(=O)Cl BC216466 [0,2,0,0,0,0|2,0,0]=4 68 B5R0.5 CC(=C)C(=O)O BC675577 [0,2,0,0,0,0|2,0,0]=4 69 B5R0.5 CC(=O)C(=O)O BC216002 [0,2,0,0,0,0|2,0,0]=4 70 B5R0.5 CC(=O)C(=O)[O-] BC630684 [0,2,0,0,0,0|2,0,0]=4 71 B5R0.5 CC(=O)N(C)C BC204203 [0,2,0,0,0,0|1,0,0]=3 72 B5R0.5 CC(C(=O)C)Br BC202460 [0,2,0,0,0,0|2,0,0]=4 73 B5R0.5 CC(C(=O)O)Br BC226871 [0,2,0,0,0,0|2,0,0]=4 74 B5R0.5 CN(C(=S)N)N BC213199 [0,2,0,0,0,0|0,1,0]=3 75 B5R0.5 C[C@@H](C(=O)N)N BC678137 [0,2,0,0,0,0|0,0,0]=2 76 B5R0.5 C[C@@H](C(=O)O)N BC677968 [0,2,0,0,0,0|1,0,0]=3 77 B5R0.5 C[C@@H](C(=O)O)O BC207702 [0,2,0,0,0,0|2,0,0]=4 78 B5R1.2 C1C(=O)CN1 BC653134 [0,1,0,1,0,0|1,0,0]=3 79 B5R1.2 C1C(=O)CO1 BC254016 [0,1,0,1,0,0|2,0,0]=4 80 B5R1.2 C1C(=O)CS1 BC669058 [0,1,0,1,0,0|2,0,0]=4 81 B5R1.2 C1CC(=O)C1 BC209625 [0,1,0,1,0,0|2,0,0]=4