0 B3R0.1 NCCO T22327 [0,0,0,0,0,0|2,0,0]=2 1 B3R0.1 NCCS T1080 [0,0,0,0,0,0|2,0,0]=2 2 B3R0.1 NCCS T6460 [0,0,0,0,0,0|2,0,0]=2 3 B2R0.1 CNC T5309 [1,0,0,0,0,0|2,0,0]=3 4 B2R0.1 CON T21320 [1,0,0,0,0,0|2,0,0]=3 5 B2R0.1 Cl[Pt]Cl T1564 [1,0,0,0,0,0|1,0,0]=2 6 B2R0.1 N#C[S-] T8033 [1,0,0,0,0,0|2,0,1]=4 7 B2R0.1 NC=O T4767 [1,0,0,0,0,0|2,0,1]=4 8 B2R0.1 O=C[O-] T5300 [1,0,0,0,0,0|2,0,1]=4 9 B2R0.1 O=[Si]=O T0422 [1,0,0,0,0,0|2,1,0]=4 10 B4R0.1 CC(O)CO T5619 [0,1,0,0,0,0|2,0,0]=3 11 B4R0.1 NCC(=O)O T2O2728 [0,1,0,0,0,0|2,0,1]=4 12 B4R0.1 NCC(=O)[O-] T4505 [0,1,0,0,0,0|2,0,1]=4 13 B4R0.1 NCC(=O)[O-] T4512 [0,1,0,0,0,0|2,0,1]=4 14 B4R0.1 NCC(N)=O T3127 [0,1,0,0,0,0|2,0,1]=4 15 B4R0.1 O=C(O)CO T5985 [0,1,0,0,0,0|2,0,1]=4 16 B4R0.1 O=C([O-])CS T8530 [0,1,0,0,0,0|2,0,1]=4 17 B4R0.1 O=C([O-])C[O-] T2410 [0,1,0,0,0,0|2,0,1]=4 18 B1R0.1 CN T5307 [2,0,0,0,0,0|1,0,0]=3 19 B1R0.1 NO T11587 [2,0,0,0,0,0|2,0,0]=4 20 B3R0.2 CC(=O)[O-] T8129 [1,1,0,0,0,0|1,0,1]=4 21 B3R0.2 CC(=O)[S-] T22402 [1,1,0,0,0,0|1,0,1]=4 22 B3R0.2 CC(N)=O T7445 [1,1,0,0,0,0|1,0,1]=4 23 B3R0.2 CN(C)C T4827 [1,1,0,0,0,0|2,0,0]=4 24 B3R0.2 CS(C)=O T0341 [1,1,0,0,0,0|2,0,0]=4 25 B3R0.2 Cl[Gd](Cl)Cl T22795 [1,1,0,0,0,0|1,0,0]=3 26 B3R0.2 Cl[La](Cl)Cl T22353 [1,1,0,0,0,0|1,0,0]=3 27 B5R0.1 CCCC(=O)[O-] T1393 [0,2,0,0,0,0|2,0,0]=4 28 B5R0.1 C[C@@H](O)CCO T19538 [0,2,0,0,0,0|2,0,0]=4 29 B5R0.1 NCCC(=O)O T0627 [0,2,0,0,0,0|2,0,0]=4 30 B5R0.1 NCCS(=O)O T5225 [0,2,0,0,0,0|2,0,0]=4 31 B5R0.3 CCC(C)C=O T5090 [0,2,0,0,0,0|2,0,0]=4 32 B5R0.3 O=CC(O)CO T4918 [0,2,0,0,0,0|2,0,0]=4 33 B5R0.3 OCC(O)CO T4776 [0,2,0,0,0,0|2,0,0]=4 34 B5R0.3 OCC(S)CS T0781 [0,2,0,0,0,0|2,0,0]=4 35 B5R0.4 OCC(Br)(Br)Br T0807 [0,2,0,0,0,0|1,1,0]=4 36 B5R0.5 C[C@@H](O)[C@@H](C)O T4751 [0,2,0,0,0,0|2,0,0]=4 37 B5R0.5 O=C([O-])C(Cl)Cl T3604 [0,2,0,0,0,0|1,0,1]=4 38 B5R0.2 NCCCCN T22213 [0,2,0,0,0,0|2,0,0]=4 39 B5R1.3 ClCC1CO1 T6344 [0,1,0,1,0,0|1,0,0]=3 40 B5R1.3 ClCC1CO1 T6666 [0,1,0,1,0,0|1,0,0]=3 41 B5R1.3 N#CC1CC1 T0536 [0,1,0,1,0,0|2,0,0]=4