0 B4R0.1 C=NN(C)C CS-M3085 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.1 COC(=N)N CS-0114088 [0,0,0,0,0,0|2,0,0]=2 2 B4R0.1 C[C@@H](N)CF CS-0104382 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.1 C[C@H](N)CF CS-0090252 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 NC(=O)CI CS-0020050 [0,0,0,0,0,0|3,0,0]=3 5 B3R0.2 CB(O)O CS-W018525 [1,0,0,0,0,0|1,0,1]=3 6 B3R0.2 CC(O)=S CS-0015317 [1,0,0,0,0,0|0,1,0]=2 7 B3R0.2 O=C([O-])[O-] CS-0015156 [1,0,0,0,0,0|1,0,1]=3 8 B5R0.1 C#CCC(=O)O CS-W004784 [0,1,0,0,0,0|2,0,1]=4 9 B5R0.1 CC(F)CCN CS-0104778 [0,1,0,0,0,0|2,0,1]=4 10 B5R0.1 CCC[C@H](C)N CS-W006528 [0,1,0,0,0,0|2,0,1]=4 11 B5R0.1 CN(C)CCBr CS-W004693 [0,1,0,0,0,0|3,0,0]=4 12 B5R0.1 COC[C@@H](C)N CS-W019198 [0,1,0,0,0,0|1,0,1]=3 13 B5R0.1 C[C@H](N)CCO CS-W019851 [0,1,0,0,0,0|2,0,1]=4 14 B5R0.1 C[C@H](O)CCO CS-W016671 [0,1,0,0,0,0|1,0,2]=4 15 B5R0.3 C=C(C#N)CO CS-0079973 [0,1,0,0,0,0|3,0,0]=4 16 B5R0.3 CCC(C)NN CS-0035425 [0,1,0,0,0,0|2,0,1]=4 17 B5R0.3 CCC(F)CN CS-0104693 [0,1,0,0,0,0|2,0,1]=4 18 B5R0.3 CO[C@H](C)CO CS-W011349 [0,1,0,0,0,0|0,0,2]=3 19 B5R0.3 [C@@H](O)(CC)CO CS-W005888 [0,1,0,0,0,0|1,0,2]=4 20 B5R0.4 CNS(N)(=O)=O CS-0035488 [0,1,0,0,0,0|3,0,0]=4 21 B5R0.5 CC(=O)C(C)N CS-0105630 [0,1,0,0,0,0|1,0,0]=2 22 B5R0.5 CC(=O)C(N)=S CS-0047258 [0,1,0,0,0,0|2,0,0]=3 23 B5R0.5 CC(C)C(N)=S CS-W011304 [0,1,0,0,0,0|2,1,0]=4 24 B5R0.5 CC(C)S(=O)[O-] CS-M3052 [0,1,0,0,0,0|3,0,0]=4 25 B5R0.5 CC(O)C(=O)[O-] CS-0021602 [0,1,0,0,0,0|2,0,0]=3 26 B5R0.5 C[C@H](N)C(N)=O CS-0005782 [0,1,0,0,0,0|2,0,0]=3 27 B5R1.2 O=C1CCN1 CS-W011364 [0,0,0,1,0,0|1,0,0]=2 28 B5R1.4 CC1CC1N CS-0047191 [0,0,0,1,0,0|2,0,1]=4 29 B2R0.1 CNN CS-W022891 [2,0,0,0,0,0|2,0,0]=4 30 B2R0.1 O=[Pt]=O CS-W007817 [2,0,0,0,0,0|1,0,1]=4 31 B2R0.1 O=[Ru]=O CS-0015275 [2,0,0,0,0,0|1,0,1]=4 32 B2R0.1 O=[Ru]=O CS-0080854 [2,0,0,0,0,0|1,0,1]=4 33 B4R0.2 C=CCCN CS-0028781 [1,1,0,0,0,0|1,0,1]=4 34 B4R0.3 C[S+](C)(C)=O CS-0097768 [1,1,0,0,0,0|1,0,0]=3 35 B4R0.3 C[S+](C)(C)=O CS-W008974 [1,1,0,0,0,0|1,0,0]=3 36 B4R0.3 C[Ti](C)(Cl)Cl CS-0026546 [1,1,0,0,0,0|2,0,0]=4 37 B6R0.1 CCOC(=N)CC CS-0047019 [0,2,0,0,0,0|1,0,0]=3 38 B6R0.1 CNCC(=O)NC CS-0039124 [0,2,0,0,0,0|1,0,0]=3 39 B6R0.1 COC(=O)CCO CS-0022864 [0,2,0,0,0,0|0,0,0]=2 40 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0015107 [0,2,0,0,0,0|1,0,0]=3 41 B6R0.2 C[C@H](N)CC(=O)O CS-0031371 [0,2,0,0,0,0|2,0,0]=4 42 B6R0.3 COC(=O)C(=N)N CS-0038769 [0,2,0,0,0,0|0,0,1]=3 43 B6R0.3 CO[C@@H](C)C(=O)O CS-D0537 [0,2,0,0,0,0|0,0,1]=3 44 B6R0.4 COCCC(=N)N CS-0046979 [0,2,0,0,0,0|2,0,0]=4 45 B6R0.7 CC(C)(C)C(=O)[O-] CS-W022935 [0,2,0,0,0,0|2,0,0]=4 46 B6R1.2 N[C@@H]1CCOC1 CS-W019413 [0,1,0,1,0,0|1,0,1]=4 47 B6R1.2 O=C1CCNC1 CS-W005267 [0,1,0,1,0,0|1,0,0]=3 48 B6R1.2 O=C1CCNN1 CS-W001151 [0,1,0,1,0,0|1,0,0]=3 49 B6R1.2 OC1CCOC1 CS-M0786 [0,1,0,1,0,0|0,0,2]=4 50 B6R1.2 O[C@H]1CCOC1 CS-D0600 [0,1,0,1,0,0|0,0,2]=4 51 B6R1.10 CC1(O)COC1 CS-W005276 [0,1,0,1,0,0|0,0,2]=4 52 B6R1.4 CC1OCC1=O CS-0051833 [0,1,0,1,0,0|0,0,1]=3