0 B3R0.1 NCCO T22327 [0,0,0,0,0,0|1,0,3]=4 1 B3R0.1 NCCS T1080 [0,0,0,0,0,0|1,1,2]=4 2 B3R0.1 NCCS T6460 [0,0,0,0,0,0|1,1,2]=4 3 B2R0.1 CNC T5309 [1,0,0,0,0,0|1,0,2]=4 4 B2R0.1 CON T21320 [1,0,0,0,0,0|2,0,1]=4 5 B2R0.1 Cl[Pt]Cl T1564 [1,0,0,0,0,0|3,0,0]=4 6 B2R0.1 N#C[S-] T8033 [1,0,0,0,0,0|1,1,1]=4 7 B2R0.1 NC=O T4767 [1,0,0,0,0,0|1,0,0]=2 8 B2R0.1 O=C[O-] T5300 [1,0,0,0,0,0|1,0,0]=2 9 B2R0.1 O=[Si]=O T0422 [1,0,0,0,0,0|1,1,0]=3 10 B4R0.1 CC(=O)C=O T19536 [0,1,0,0,0,0|0,0,1]=2 11 B4R0.1 CC(=O)NO T1592 [0,1,0,0,0,0|2,0,0]=3 12 B4R0.1 CNC(=N)N T21215 [0,1,0,0,0,0|2,0,1]=4 13 B4R0.1 CNC(=N)N T4904 [0,1,0,0,0,0|2,0,1]=4 14 B4R0.1 COC(N)=O T2151 [0,1,0,0,0,0|1,0,1]=3 15 B4R0.1 CSC(=N)N T22419 [0,1,0,0,0,0|2,0,1]=4 16 B4R0.1 N=C(N)NN T0358 [0,1,0,0,0,0|3,0,0]=4 17 B4R0.1 NC(=O)NO T0676 [0,1,0,0,0,0|2,0,0]=3 18 B4R0.1 NCC(=O)O T2O2728 [0,1,0,0,0,0|1,0,1]=3 19 B4R0.1 NCC(=O)[O-] T4505 [0,1,0,0,0,0|1,0,1]=3 20 B4R0.1 NCC(=O)[O-] T4512 [0,1,0,0,0,0|1,0,1]=3 21 B4R0.1 NCC(N)=O T3127 [0,1,0,0,0,0|1,0,1]=3 22 B4R0.1 NNC(N)=O T1732 [0,1,0,0,0,0|2,0,0]=3 23 B4R0.1 O=C(O)CO T5985 [0,1,0,0,0,0|1,0,1]=3 24 B4R0.1 O=C([O-])CS T8530 [0,1,0,0,0,0|1,0,1]=3 25 B4R0.1 O=C([O-])C[O-] T2410 [0,1,0,0,0,0|1,0,1]=3 26 B4R0.1 O=CC(=O)O T16356 [0,1,0,0,0,0|1,0,0]=2 27 B4R0.1 O=CC(=O)O T4843 [0,1,0,0,0,0|1,0,0]=2 28 B1R0.1 CN T5307 [2,0,0,0,0,0|1,0,1]=4 29 B1R0.1 NO T11587 [2,0,0,0,0,0|1,0,1]=4 30 B3R0.2 CC(=O)[O-] T8129 [1,1,0,0,0,0|0,0,1]=3 31 B3R0.2 CC(=O)[S-] T22402 [1,1,0,0,0,0|0,0,1]=3 32 B3R0.2 CC(N)=O T7445 [1,1,0,0,0,0|0,0,1]=3 33 B3R0.2 CS(C)=O T0341 [1,1,0,0,0,0|1,0,1]=4 34 B3R0.2 N=C(N)N T0415 [1,1,0,0,0,0|2,0,0]=4 35 B3R0.2 NC(N)=O T0738 [1,1,0,0,0,0|1,0,0]=3 36 B3R0.2 O=C([O-])[O-] T3249 [1,1,0,0,0,0|1,0,0]=3 37 B3R0.2 O=C([O-])[O-] T8131 [1,1,0,0,0,0|1,0,0]=3 38 B5R0.1 CC(C)=CCO T4747 [0,2,0,0,0,0|0,0,2]=4 39 B5R0.1 CCCC(=O)[O-] T1393 [0,2,0,0,0,0|0,0,2]=4 40 B5R0.1 CCOC(N)=O T0051 [0,2,0,0,0,0|0,0,2]=4 41 B5R0.1 CNCC(=O)O T6975 [0,2,0,0,0,0|0,0,2]=4 42 B5R0.1 C\C=C\C(=O)O T5301 [0,2,0,0,0,0|0,0,0]=2 43 B5R0.1 NCCC(=O)O T0627 [0,2,0,0,0,0|0,0,2]=4 44 B5R0.1 NOCC(=O)O T5880 [0,2,0,0,0,0|1,0,1]=4 45 B5R0.3 CCC(C)C=O T5090 [0,2,0,0,0,0|0,0,2]=4 46 B5R0.3 O=C(O[Na])O[Na] T22426 [0,2,0,0,0,0|2,0,0]=4 47 B5R0.3 O=CC(O)CO T4918 [0,2,0,0,0,0|0,0,2]=4 48 B5R0.5 CC(=O)C(=O)O T4804 [0,2,0,0,0,0|0,0,1]=3 49 B5R0.5 CC(=O)C(=O)[O-] T7717 [0,2,0,0,0,0|0,0,1]=3 50 B5R0.5 C[C@@H](N)C(=O)O T4811 [0,2,0,0,0,0|0,0,2]=4 51 B5R0.5 C[C@@H](O)C(=O)O T10943 [0,2,0,0,0,0|0,0,2]=4 52 B5R0.5 C[C@@H](O)C(=O)[O-] T5220 [0,2,0,0,0,0|0,0,2]=4 53 B5R0.5 C[C@H](N)C(=O)O TJO2729 [0,2,0,0,0,0|0,0,2]=4 54 B5R0.5 C[C@H](N)C(=O)O TN1003 [0,2,0,0,0,0|0,0,2]=4 55 B5R0.5 C[C@H](O)C(=O)O T4845 [0,2,0,0,0,0|0,0,2]=4 56 B5R0.5 C[C@H](O)C(=O)[O-] T4103 [0,2,0,0,0,0|0,0,2]=4 57 B5R0.5 O=C(O)C(=O)O T2O2680 [0,2,0,0,0,0|1,0,0]=3 58 B5R0.5 O=C(O)C(=O)O T5064 [0,2,0,0,0,0|1,0,0]=3 59 B5R0.5 O=C([O-])C(Cl)Cl T3604 [0,2,0,0,0,0|1,0,1]=4 60 B5R1.1 C1=CON=C1 T7500 [0,1,0,1,0,0|0,0,1]=3 61 B5R1.1 C1=C[CH-]C=C1 T20786 [0,1,0,1,0,0|1,0,0]=3