0 B3R0.2 C(=N)(N)N PI-46905 [0,0,0,0,0,0|4,0,0]=4 1 B3R0.2 C(Cl)(Br)Br PI-23709 [0,0,0,0,0,0|4,0,0]=4 2 B3R0.2 C=C(F)Br PI-14442 [0,0,0,0,0,0|4,0,0]=4 3 B3R0.2 CB(O)O PI-24088 [0,0,0,0,0,0|2,0,1]=3 4 B3R0.2 CC(=O)O PI-11632 [0,0,0,0,0,0|2,0,0]=2 5 B3R0.2 CC(=O)O PI-38547 [0,0,0,0,0,0|2,0,0]=2 6 B3R0.2 CC(=O)[O-] PI-20290 [0,0,0,0,0,0|2,0,0]=2 7 B3R0.2 CC(=S)N PI-16528 [0,0,0,0,0,0|3,1,0]=4 8 B3R0.2 CC(C)[O-] PI-47044 [0,0,0,0,0,0|3,0,0]=3 9 B3R0.2 CC([O-])=S PI-36444 [0,0,0,0,0,0|2,1,0]=3 10 B3R0.2 C[S+](C)C PI-41785 [0,0,0,0,0,0|4,0,0]=4 11 B3R0.2 NC(=N)Cl PI-38973 [0,0,0,0,0,0|4,0,0]=4 12 B3R0.2 NC(N)=N PI-47789 [0,0,0,0,0,0|4,0,0]=4 13 B3R0.2 NC(N)=N PI-47790 [0,0,0,0,0,0|4,0,0]=4 14 B3R0.2 [O-]C(=O)C PI-37083 [0,0,0,0,0,0|2,0,0]=2 15 B3R0.2 [O-]C(=O)C PI-41421 [0,0,0,0,0,0|2,0,0]=2 16 B2R0.1 C(F)I PI-46452 [1,0,0,0,0,0|3,0,0]=4 17 B2R0.1 CNO PI-24407 [1,0,0,0,0,0|1,0,1]=3 18 B2R0.1 CON PI-12344 [1,0,0,0,0,0|3,0,0]=4 19 B2R0.1 CSC PI-50002 [1,0,0,0,0,0|3,0,0]=4 20 B2R0.1 Cl[Pt]Cl PI-35163 [1,0,0,0,0,0|3,0,0]=4 21 B2R0.1 NC=N PI-38823 [1,0,0,0,0,0|3,0,0]=4 22 B2R0.1 O=[Os]=O PI-41580 [1,0,0,0,0,0|1,0,1]=3 23 B2R0.1 ON=O PI-38467 [1,0,0,0,0,0|0,0,1]=2 24 B2R0.1 S=[W]=S PI-48964 [1,0,0,0,0,0|1,2,0]=4 25 B2R0.1 [B](Br)Br PI-49994 [1,0,0,0,0,0|3,0,0]=4 26 B4R0.1 C#CC(=O)N PI-48352 [0,1,0,0,0,0|3,0,0]=4 27 B4R0.1 C(=O)(N)NO PI-15345 [0,1,0,0,0,0|2,0,0]=3 28 B4R0.1 C(C(=O)Cl)Br PI-46514 [0,1,0,0,0,0|3,0,0]=4 29 B4R0.1 C(C(=O)N)I PI-47045 [0,1,0,0,0,0|3,0,0]=4 30 B4R0.1 C(C(=O)N)N PI-14271 [0,1,0,0,0,0|3,0,0]=4 31 B4R0.1 C(C(=O)[O-])Cl PI-44622 [0,1,0,0,0,0|2,0,0]=3 32 B4R0.1 CC(=O)C#C PI-15653 [0,1,0,0,0,0|3,0,0]=4 33 B4R0.1 CC(=O)CBr PI-38994 [0,1,0,0,0,0|3,0,0]=4 34 B4R0.1 CC(=O)NBr PI-47108 [0,1,0,0,0,0|3,0,0]=4 35 B4R0.1 CC(C#C)O PI-44141 [0,1,0,0,0,0|3,0,0]=4 36 B4R0.1 CC(CN)O PI-16659 [0,1,0,0,0,0|3,0,0]=4 37 B4R0.1 CC(CO)O PI-16674 [0,1,0,0,0,0|2,0,1]=4 38 B4R0.1 CC(O)=NO PI-10772 [0,1,0,0,0,0|2,0,1]=4 39 B4R0.1 CC(O)C#C PI-43256 [0,1,0,0,0,0|3,0,0]=4 40 B4R0.1 CCB(O)O PI-25578 [0,1,0,0,0,0|2,0,1]=4 41 B4R0.1 CCC(C)O PI-15619 [0,1,0,0,0,0|3,0,0]=4 42 B4R0.1 COC(=N)N PI-30686 [0,1,0,0,0,0|3,0,0]=4 43 B4R0.1 C[C@@H](CO)N PI-12236 [0,1,0,0,0,0|3,0,0]=4 44 B4R0.1 C[C@@H](N)CO PI-16472 [0,1,0,0,0,0|3,0,0]=4 45 B4R0.1 C[C@@H](O)CN PI-12234 [0,1,0,0,0,0|3,0,0]=4 46 B4R0.1 NC(=O)CBr PI-10963 [0,1,0,0,0,0|3,0,0]=4 47 B4R0.1 OCC(F)F PI-21165 [0,1,0,0,0,0|3,0,0]=4 48 B4R0.1 OC[C@H](O)C PI-16673 [0,1,0,0,0,0|2,0,1]=4 49 B4R0.3 BrP(=O)(Br)Br PI-13216 [0,1,0,0,0,0|2,1,0]=4 50 B4R0.3 C[S+](=O)(C)C PI-35968 [0,1,0,0,0,0|3,0,0]=4 51 B4R0.3 NS(=O)(=O)Cl PI-36528 [0,1,0,0,0,0|2,0,1]=4 52 B4R0.3 NS(=O)(=O)N PI-12145 [0,1,0,0,0,0|2,0,1]=4 53 B4R0.3 [O-]S(=O)(=O)C PI-38597 [0,1,0,0,0,0|1,0,1]=3 54 B4R0.3 [O-][N+](C)(C)C PI-30801 [0,1,0,0,0,0|2,0,1]=4 55 B4R0.3 [O-][Si](C)(C)C PI-35304 [0,1,0,0,0,0|3,0,0]=4 56 B4R1.2 C[C@@H]1CO1 PI-10840 [0,0,0,1,0,0|3,0,0]=4 57 B4R1.2 C[C@H]1CO1 PI-10843 [0,0,0,1,0,0|3,0,0]=4 58 B1R0.1 CC PI-12250 [2,0,0,0,0,0|2,0,0]=4 59 B3R0.1 CCC=O PI-28552 [1,1,0,0,0,0|2,0,0]=4 60 B3R0.1 COCBr PI-22152 [1,1,0,0,0,0|2,0,0]=4 61 B3R0.1 CONC PI-16632 [1,1,0,0,0,0|1,0,1]=4 62 B3R0.1 C\C=N\O PI-37002 [1,1,0,0,0,0|1,0,1]=4 63 B3R0.1 NNC=O PI-38803 [1,1,0,0,0,0|1,0,1]=4 64 B3R0.1 OCCBr PI-37291 [1,1,0,0,0,0|2,0,0]=4 65 B5R0.1 C(C#N)C(=O)[O-] PI-50587 [0,2,0,0,0,0|2,0,0]=4 66 B5R0.1 CC#CC(=O)O PI-12861 [0,2,0,0,0,0|2,0,0]=4 67 B5R0.1 CC(=O)NCO PI-29791 [0,2,0,0,0,0|2,0,0]=4 68 B5R0.1 CCOC(=O)C PI-13192 [0,2,0,0,0,0|2,0,0]=4 69 B5R0.1 CNCC(=O)O PI-45053 [0,2,0,0,0,0|2,0,0]=4 70 B5R0.1 C\C=C\C(=O)O PI-48966 [0,2,0,0,0,0|2,0,0]=4 71 B5R0.1 NCCC(=O)O PI-14317 [0,2,0,0,0,0|2,0,0]=4 72 B5R0.1 O=C(O)CCS PI-40342 [0,2,0,0,0,0|1,1,0]=4 73 B5R0.1 OC(CON)=O PI-37190 [0,2,0,0,0,0|1,0,1]=4 74 B5R0.1 OCCC(=O)O PI-20855 [0,2,0,0,0,0|1,0,1]=4 75 B5R0.3 C(C(=O)NN)O PI-50333 [0,2,0,0,0,0|2,0,0]=4 76 B5R0.3 C(C(C=O)O)O PI-14881 [0,2,0,0,0,0|1,0,1]=4 77 B5R0.3 COC(=O)C#C PI-35828 [0,2,0,0,0,0|2,0,0]=4 78 B5R0.3 O=C[C@@H](O)CO PI-14882 [0,2,0,0,0,0|1,0,1]=4 79 B5R0.4 CCS(=O)(=O)O PI-42934 [0,2,0,0,0,0|1,0,1]=4 80 B5R0.4 NCS(=O)(=O)O PI-12154 [0,2,0,0,0,0|1,0,1]=4 81 B5R0.5 C(C(=O)O)(F)F PI-21386 [0,2,0,0,0,0|2,0,0]=4 82 B5R0.5 C(C(=O)O)(N)O PI-48421 [0,2,0,0,0,0|1,0,1]=4 83 B5R0.5 C(F)(F)S(=O)[O-] PI-48896 [0,2,0,0,0,0|2,0,0]=4 84 B5R0.5 CC(=O)C(=O)[O-] PI-15478 [0,2,0,0,0,0|1,0,1]=4 85 B5R0.5 CC(=O)C(=O)[O-] PI-15479 [0,2,0,0,0,0|1,0,1]=4 86 B5R0.5 CC(=O)C(=O)[O-] PI-15480 [0,2,0,0,0,0|1,0,1]=4 87 B5R0.5 CC(=O)C(=O)[O-] PI-15481 [0,2,0,0,0,0|1,0,1]=4 88 B5R0.5 CC(C(=O)O)Br PI-47030 [0,2,0,0,0,0|2,0,0]=4 89 B5R0.5 CC(C(=O)O)Cl PI-28351 [0,2,0,0,0,0|2,0,0]=4 90 B5R0.5 CC(C(=O)O)F PI-40363 [0,2,0,0,0,0|2,0,0]=4 91 B5R0.5 CC(C(=O)[O-])O PI-14769 [0,2,0,0,0,0|1,0,0]=3 92 B5R0.5 C[C@@H](N)C(=O)O PI-16471 [0,2,0,0,0,0|2,0,0]=4 93 B5R0.5 C[C@H](C(=O)O)O PI-36770 [0,2,0,0,0,0|1,0,1]=4 94 B5R0.5 ClC(C(=O)[O-])Cl PI-39489 [0,2,0,0,0,0|2,0,0]=4 95 B5R0.5 N[C@@H](C)C(O)=O PI-41727 [0,2,0,0,0,0|2,0,0]=4 96 B5R0.5 OC(=O)C(=O)C PI-15477 [0,2,0,0,0,0|1,0,1]=4 97 B5R1.2 O=C1COC1 PI-38969 [0,1,0,1,0,0|2,0,0]=4