0 B3R0.1 CCCN CS-0079898 [0,0,0,0,0,0|1,0,0]=1 1 B3R0.1 N#CCI CS-W016050 [0,0,0,0,0,0|2,0,1]=3 2 B3R0.1 N#CCN CS-W013739 [0,0,0,0,0,0|2,0,1]=3 3 B3R0.1 NCCCl CS-W013617 [0,0,0,0,0,0|2,0,0]=2 4 B3R0.1 NCCF CS-W007788 [0,0,0,0,0,0|2,0,0]=2 5 B2R0.1 Br[Ni]Br CS-0085631 [1,0,0,0,0,0|3,0,0]=4 6 B2R0.1 CON CS-W020192 [1,0,0,0,0,0|2,0,0]=3 7 B2R0.1 O=[Zr]=O CS-0111468 [1,0,0,0,0,0|2,1,0]=4 8 B4R0.1 CC(=O)NN CS-D1403 [0,1,0,0,0,0|2,0,1]=4 9 B4R0.1 CC(N)CO CS-W018531 [0,1,0,0,0,0|0,1,0]=2 10 B4R0.1 CC(O)CBr CS-0063182 [0,1,0,0,0,0|1,0,0]=2 11 B4R0.1 CCC(=N)O CS-W016688 [0,1,0,0,0,0|0,1,1]=3 12 B4R0.1 CC[C@H](C)N CS-0084847 [0,1,0,0,0,0|1,0,0]=2 13 B4R0.1 COC(=N)N CS-W019574 [0,1,0,0,0,0|2,0,1]=4 14 B4R0.1 CSC(=N)N CS-0011749 [0,1,0,0,0,0|2,0,1]=4 15 B4R0.1 NCC(N)=O CS-W019695 [0,1,0,0,0,0|1,1,1]=4 16 B4R0.2 BrCCCBr CS-W020641 [0,1,0,0,0,0|1,0,0]=2 17 B4R0.2 C=CCON CS-0010194 [0,1,0,0,0,0|0,1,2]=4 18 B4R0.2 NCCCBr CS-W008585 [0,1,0,0,0,0|1,0,0]=2 19 B4R0.2 NCCCCl CS-0015792 [0,1,0,0,0,0|1,0,0]=2 20 B4R0.2 NCCCO CS-W020089 [0,1,0,0,0,0|0,1,0]=2 21 B1R0.1 [Cu]Br CS-0031756 [2,0,0,0,0,0|2,0,0]=4 22 B1R0.1 [Na]I CS-0013799 [2,0,0,0,0,0|2,0,0]=4 23 B3R0.2 CC(=O)O CS-W019776 [1,1,0,0,0,0|0,1,1]=4 24 B3R0.2 CC(=O)[O-] CS-0082496 [1,1,0,0,0,0|0,1,1]=4 25 B3R0.2 CC(=O)[O-] CS-0084525 [1,1,0,0,0,0|0,1,1]=4 26 B3R0.2 CC(=O)[O-] CS-W002072 [1,1,0,0,0,0|0,1,1]=4 27 B3R0.2 CC(=O)[O-] CS-W004700 [1,1,0,0,0,0|0,1,1]=4 28 B3R0.2 CC(=O)[O-] CS-W020594 [1,1,0,0,0,0|0,1,1]=4 29 B3R0.2 [ZrH](C)(C)Cl CS-W020093 [1,1,0,0,0,0|1,0,0]=3 30 B5R0.1 CC(=O)CCO CS-0044370 [0,2,0,0,0,0|0,1,0]=3 31 B5R0.1 CC(N)CC#N CS-W020282 [0,2,0,0,0,0|1,0,0]=3 32 B5R0.1 CC(N)CCO CS-W004841 [0,2,0,0,0,0|0,1,0]=3 33 B5R0.1 CCOC(C)=N CS-W008601 [0,2,0,0,0,0|1,0,1]=4 34 B5R0.1 CNCC(=N)O CS-W011178 [0,2,0,0,0,0|0,1,1]=4 35 B5R0.1 COC[C@@H](C)O CS-0019059 [0,2,0,0,0,0|0,1,0]=3 36 B5R0.3 C=C(CCl)CCl CS-W011177 [0,2,0,0,0,0|1,0,1]=4 37 B5R0.3 C=C(CO)CO CS-W009247 [0,2,0,0,0,0|0,1,1]=4 38 B5R0.3 C=C[C@H](N)CO CS-0088065 [0,2,0,0,0,0|0,1,1]=4 39 B5R0.3 CC[C@@H](N)CO CS-W020734 [0,2,0,0,0,0|0,1,0]=3 40 B5R0.3 CC[C@H](N)CO CS-W013745 [0,2,0,0,0,0|0,1,0]=3 41 B5R0.3 CNC(=O)CBr CS-0023001 [0,2,0,0,0,0|1,0,1]=4 42 B5R0.3 CNC(=O)CCl CS-W007769 [0,2,0,0,0,0|1,0,1]=4 43 B5R0.3 COC(=O)CN CS-W018508 [0,2,0,0,0,0|1,0,1]=4 44 B5R0.3 NC(CO)CO CS-W007357 [0,2,0,0,0,0|0,1,0]=3 45 B5R0.4 CC(C)(N)C#N CS-W005215 [0,2,0,0,0,0|1,0,1]=4 46 B5R0.4 CC(C)(N)CO CS-W013743 [0,2,0,0,0,0|0,1,0]=3 47 B5R0.4 CC(C)(O)CN CS-W008799 [0,2,0,0,0,0|1,0,0]=3 48 B5R0.4 FC(F)(F)CI CS-D1740 [0,2,0,0,0,0|2,0,0]=4 49 B5R0.4 NCC(F)(F)F CS-W013336 [0,2,0,0,0,0|2,0,0]=4 50 B5R0.4 OCC(Cl)(Cl)Cl CS-0013285 [0,2,0,0,0,0|1,1,0]=4 51 B5R0.5 CC(C)C(N)=O CS-W019979 [0,2,0,0,0,0|0,1,1]=4 52 B5R0.5 CC(N)C(=O)O CS-0022544 [0,2,0,0,0,0|0,1,1]=4 53 B5R0.5 C[C@@H](O)C(N)=O CS-W016674 [0,2,0,0,0,0|0,1,1]=4 54 B5R0.2 BrCCCCBr CS-W020631 [0,2,0,0,0,0|1,0,0]=3 55 B5R0.2 C#CCCCCl CS-W009550 [0,2,0,0,0,0|1,0,0]=3 56 B5R0.2 C=CCCCO CS-W011355 [0,2,0,0,0,0|0,1,0]=3 57 B5R0.2 COCCC#N CS-0030563 [0,2,0,0,0,0|1,0,0]=3 58 B5R0.2 ClC\C=C/CCl CS-0005668 [0,2,0,0,0,0|1,0,1]=4 59 B5R0.2 ICCCCI CS-W004871 [0,2,0,0,0,0|1,0,0]=3 60 B5R0.2 N#CCCCCl CS-D1161 [0,2,0,0,0,0|1,0,0]=3 61 B5R0.2 NC\C=C/CCl CS-M0797 [0,2,0,0,0,0|1,0,1]=4 62 B5R0.2 NOCCON CS-0070013 [0,2,0,0,0,0|1,1,0]=4 63 B5R1.2 CC1CNC1 CS-W019342 [0,1,0,1,0,0|1,0,0]=3 64 B5R1.3 ClC[C@@H]1CO1 CS-0015935 [0,1,0,1,0,0|0,1,0]=3 65 B5R1.3 N#CC1CC1 CS-D1406 [0,1,0,1,0,0|1,0,0]=3 66 B5R1.1 C1CSCN1 CS-0006687 [0,1,0,1,0,0|0,0,0]=2