0 B3R0.2 CC(=O)[O-] CS-0084981 [0,0,0,0,0,0|2,0,0]=2 1 B3R0.2 CC(N)=S CS-W018499 [0,0,0,0,0,0|1,1,0]=2 2 B3R0.2 CS(=O)[O-] CS-0019422 [0,0,0,0,0,0|3,0,0]=3 3 B3R0.2 Cl[In](Cl)Cl CS-0015717 [0,0,0,0,0,0|4,0,0]=4 4 B3R0.2 Cl[Rh](Cl)Cl CS-0020106 [0,0,0,0,0,0|4,0,0]=4 5 B3R0.2 O=C([O-])[O-] CS-B1764 [0,0,0,0,0,0|2,0,0]=2 6 B2R0.1 CNO CS-W007348 [1,0,0,0,0,0|2,0,1]=4 7 B2R0.1 CSC CS-0015151 [1,0,0,0,0,0|3,0,0]=4 8 B2R0.1 I[Ni]I CS-W001144 [1,0,0,0,0,0|3,0,0]=4 9 B2R0.1 N=CN CS-W007673 [1,0,0,0,0,0|0,0,1]=2 10 B2R0.1 O[Pd]O CS-0017903 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.1 CC(=N)NO CS-W008635 [0,1,0,0,0,0|1,0,1]=3 12 B4R0.1 CC(=O)CN CS-W004850 [0,1,0,0,0,0|1,0,0]=2 13 B4R0.1 CC(=O)CO CS-0017823 [0,1,0,0,0,0|2,0,0]=3 14 B4R0.1 CC(C)ON CS-W008733 [0,1,0,0,0,0|2,0,1]=4 15 B4R0.1 CC(N)CF CS-0107816 [0,1,0,0,0,0|2,0,1]=4 16 B4R0.1 CCC(=N)N CS-W019290 [0,1,0,0,0,0|1,0,1]=3 17 B4R0.1 CCS(=O)[O-] CS-0020098 [0,1,0,0,0,0|3,0,0]=4 18 B4R0.1 CNN(C)C CS-M2145 [0,1,0,0,0,0|3,0,0]=4 19 B4R0.1 C[C@H](N)CO CS-B1303 [0,1,0,0,0,0|1,0,2]=4 20 B4R0.1 C[C@H](O)CN CS-W019029 [0,1,0,0,0,0|1,0,2]=4 21 B4R0.1 N=C(O)CBr CS-W007330 [0,1,0,0,0,0|1,0,2]=4 22 B4R0.1 N=C(O)CO CS-W016686 [0,1,0,0,0,0|1,0,2]=4 23 B4R0.1 ON=C(Br)Br CS-W008748 [0,1,0,0,0,0|2,0,1]=4 24 B4R0.1 [C@@H](C)(N)CN CS-W008537 [0,1,0,0,0,0|1,0,1]=3 25 B4R0.3 NS(=O)(=O)Cl CS-0008551 [0,1,0,0,0,0|2,0,0]=3 26 B4R0.3 O=P([O-])([O-])[O-] CS-0013475 [0,1,0,0,0,0|3,0,0]=4 27 B4R0.3 O=S(=O)(O)O CS-W013315 [0,1,0,0,0,0|3,0,0]=4 28 B4R0.3 O=S(=O)([O-])[O-] CS-0021580 [0,1,0,0,0,0|3,0,0]=4 29 B4R0.3 O=S(=O)([O-])[O-] CS-B1716 [0,1,0,0,0,0|3,0,0]=4 30 B1R0.1 NN CS-W019806 [2,0,0,0,0,0|0,0,0]=2 31 B3R0.1 CCON CS-0017502 [1,1,0,0,0,0|1,0,1]=4 32 B3R0.1 CNOC CS-D1361 [1,1,0,0,0,0|2,0,0]=4 33 B3R0.1 NCCBr CS-W008659 [1,1,0,0,0,0|1,0,1]=4 34 B5R0.1 CC#CC(=O)O CS-W007936 [0,2,0,0,0,0|2,0,0]=4 35 B5R0.1 CC(=O)CC#N CS-W020196 [0,2,0,0,0,0|1,0,1]=4 36 B5R0.1 CC(=O)CCCl CS-W022162 [0,2,0,0,0,0|2,0,0]=4 37 B5R0.1 CCOC(=N)N CS-W019160 [0,2,0,0,0,0|0,0,2]=4 38 B5R0.1 CNCC(=O)O CS-W013507 [0,2,0,0,0,0|1,0,0]=3 39 B5R0.1 COCC(=O)O CS-W020123 [0,2,0,0,0,0|2,0,0]=4 40 B5R0.1 C\C(N)=C\C#N CS-0005803 [0,2,0,0,0,0|1,0,1]=4 41 B5R0.1 N=C(O)CCN CS-W007497 [0,2,0,0,0,0|0,0,2]=4 42 B5R0.1 O=C(O)\C=C\Br CS-0063842 [0,2,0,0,0,0|2,0,0]=4 43 B5R0.3 CCC(=N)NO CS-D0340 [0,2,0,0,0,0|1,0,1]=4 44 B5R0.3 NCC(O)CN CS-W007600 [0,2,0,0,0,0|0,0,2]=4 45 B5R0.3 NNC(=O)CO CS-W006527 [0,2,0,0,0,0|1,0,0]=3 46 B5R0.4 CC(C)(N)CN CS-0058986 [0,2,0,0,0,0|1,0,1]=4 47 B5R0.4 NOS(=O)(=O)O CS-D1413 [0,2,0,0,0,0|2,0,0]=4 48 B5R0.5 C=C(F)C(=O)O CS-W005285 [0,2,0,0,0,0|2,0,0]=4 49 B5R0.5 CC(=O)C(=O)[O-] CS-W016629 [0,2,0,0,0,0|2,0,0]=4 50 B5R0.5 C[C@@H](Cl)C(=O)O CS-0022394 [0,2,0,0,0,0|2,0,0]=4 51 B5R0.5 C[C@@H](N)C(N)=O CS-W022738 [0,2,0,0,0,0|0,0,0]=2 52 B5R0.5 O=C(O)C(=O)O CS-W004907 [0,2,0,0,0,0|2,0,0]=4 53 B5R1.2 O=C1CNC1 CS-W019264 [0,1,0,1,0,0|1,0,0]=3 54 B5R1.2 O=C1COC1 CS-M1912 [0,1,0,1,0,0|2,0,0]=4 55 B5R1.2 O=C1CSC1 CS-B0978 [0,1,0,1,0,0|2,0,0]=4