0 B4R0.1 C(#N)C(Br)Br 5585 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.1 C(C(F)F)I 5445 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.1 CC(CO)N 6831 [0,0,0,0,0,0|1,0,2]=3 3 B4R0.1 C[C@H](CO)N 5724 [0,0,0,0,0,0|1,0,2]=3 4 B3R0.1 C#CCCl 10536 [1,0,0,0,0,0|2,0,1]=4 5 B3R0.1 C#CCN 9972 [1,0,0,0,0,0|2,0,1]=4 6 B3R0.1 C(C#N)Br 6017 [1,0,0,0,0,0|2,0,1]=4 7 B3R0.1 C(CI)F 10671 [1,0,0,0,0,0|2,0,1]=4 8 B3R0.1 C(CO)O 5930 [1,0,0,0,0,0|1,0,2]=4 9 B3R0.1 CNOC 5044 [1,0,0,0,0,0|3,0,0]=4 10 B3R0.2 C(=O)(O)O 5809 [1,0,0,0,0,0|2,0,1]=4 11 B3R0.2 C(=O)([O-])[O-] 8816 [1,0,0,0,0,0|2,0,1]=4 12 B3R0.2 CC(Cl)Cl 6701 [1,0,0,0,0,0|2,0,0]=3 13 B3R0.2 CS(=O)O 5013 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.1 CN(C)CCCl 5994 [0,1,0,0,0,0|2,0,1]=4 15 B5R0.3 C(C(CCl)O)Cl 10131 [0,1,0,0,0,0|2,0,1]=4 16 B5R0.3 C(C(CF)O)F 9295 [0,1,0,0,0,0|2,0,1]=4 17 B5R0.3 C(C(CO)N)O 6680 [0,1,0,0,0,0|1,0,2]=4 18 B5R0.3 C([C@H](CCl)O)O 10506 [0,1,0,0,0,0|1,0,2]=4 19 B5R0.4 CC(C)(C#C)N 8051 [0,1,0,0,0,0|1,0,1]=3 20 B5R0.4 CC(C)(CO)N 9438 [0,1,0,0,0,0|0,0,2]=3 21 B5R0.4 C[Si](C)(C)C#C 5061 [0,1,0,0,0,0|1,1,1]=4 22 B5R0.4 C[Si](C)(C)C#N 5680 [0,1,0,0,0,0|1,1,1]=4 23 B5R0.4 C[Si](C=C)(Cl)Cl 5914 [0,1,0,0,0,0|2,1,0]=4 24 B5R0.5 CC(=O)C(F)F 6617 [0,1,0,0,0,0|2,0,0]=3 25 B5R0.5 C[C@@H](C(=O)O)N 5042 [0,1,0,0,0,0|1,0,0]=2 26 B5R0.5 C[C@@H](C(=O)O)N 5087 [0,1,0,0,0,0|1,0,0]=2 27 B5R1.2 C1C(CN1)O 5077 [0,0,0,1,0,0|2,0,1]=4 28 B5R1.3 C1CC1C=O 8503 [0,0,0,1,0,0|0,0,0]=1 29 B5R1.3 C1CC1CN 9710 [0,0,0,1,0,0|1,0,1]=3 30 B5R1.3 C1CC1CO 6152 [0,0,0,1,0,0|0,0,2]=3 31 B2R0.1 C(I)I 9405 [2,0,0,0,0,0|2,0,0]=4 32 B2R0.1 CCI 10444 [2,0,0,0,0,0|1,0,0]=3 33 B2R0.1 CON 6780 [2,0,0,0,0,0|2,0,0]=4 34 B4R0.2 C#CCCO 9231 [1,1,0,0,0,0|1,0,1]=4 35 B4R0.2 C(CN)CBr 9620 [1,1,0,0,0,0|1,0,1]=4 36 B4R0.2 C(CO)CBr 8105 [1,1,0,0,0,0|0,0,2]=4 37 B4R0.2 C(CO)CI 8013 [1,1,0,0,0,0|0,0,2]=4 38 B4R0.2 C=CCCBr 5697 [1,1,0,0,0,0|1,0,0]=3 39 B4R0.2 COCCBr 5599 [1,1,0,0,0,0|1,0,1]=4 40 B4R0.3 C[N+](C)(C)C 5995 [1,1,0,0,0,0|1,0,1]=4 41 B6R0.1 CCOC(=O)C=O 6826 [0,2,0,0,0,0|1,0,1]=4 42 B6R0.2 B(CC(C)C)(O)O 8277 [0,2,0,0,0,0|0,0,2]=4 43 B6R0.2 CC(=CC(=O)O)C 9276 [0,2,0,0,0,0|0,0,1]=3 44 B6R0.2 CN(C)CC(=O)O 5083 [0,2,0,0,0,0|1,0,0]=3 45 B6R0.3 C(C(C(=O)O)Br)Br 6758 [0,2,0,0,0,0|1,0,0]=3 46 B6R0.3 C(C(C(=O)O)N)O 6847 [0,2,0,0,0,0|1,0,0]=3 47 B6R0.3 C(C(C(=O)O)N)O 8529 [0,2,0,0,0,0|1,0,0]=3 48 B6R0.3 C([C@@H](C(=O)O)N)S 6874 [0,2,0,0,0,0|1,0,0]=3 49 B6R0.3 CC(C(=O)OC)N 10241 [0,2,0,0,0,0|1,0,0]=3 50 B6R0.3 CCC(C(=N)[O-])N 8499 [0,2,0,0,0,0|1,0,1]=4 51 B6R0.3 COC(=O)C(F)F 9880 [0,2,0,0,0,0|2,0,0]=4 52 B6R0.9 COC(CN)OC 8103 [0,2,0,0,0,0|1,0,1]=4 53 B6R0.7 C(=O)(C(Cl)(Cl)Cl)N 9857 [0,2,0,0,0,0|2,0,0]=4 54 B6R0.7 C(=O)(C(F)(F)Br)N 8796 [0,2,0,0,0,0|2,0,0]=4 55 B6R0.7 C(=O)(C(F)(F)Br)O 5643 [0,2,0,0,0,0|2,0,0]=4 56 B6R0.7 C(=O)(C(F)(F)F)N 6012 [0,2,0,0,0,0|2,0,0]=4 57 B6R0.7 C(=O)(C(F)(F)F)O 10564 [0,2,0,0,0,0|2,0,0]=4 58 B6R0.7 C(=O)(C(F)(F)F)[O-] 6011 [0,2,0,0,0,0|2,0,0]=4 59 B6R0.7 CC(C(=O)O)(F)F 6442 [0,2,0,0,0,0|1,0,0]=3 60 B6R0.7 CC(C)(C(=O)O)F 5038 [0,2,0,0,0,0|0,0,0]=2 61 B6R0.7 CC(C)(C)C(=N)N 8301 [0,2,0,0,0,0|1,0,0]=3 62 B6R0.7 CC(C)(C)S(=O)N 10247 [0,2,0,0,0,0|1,0,0]=3 63 B6R0.7 CN(C)S(=O)(=O)Cl 8854 [0,2,0,0,0,0|2,0,0]=4 64 B4R1.1 C1CNC1 9575 [1,0,0,1,0,0|1,0,1]=4 65 B4R1.2 C1CC1N 6164 [1,0,0,1,0,0|1,0,1]=4 66 B6R1.11 C1CC1C(=N)N 9380 [0,1,0,1,0,0|1,0,0]=3 67 B6R1.6 C1CC(C1)CO 8690 [0,1,0,1,0,0|0,0,2]=4 68 B6R1.7 CC1(CO1)CCl 8874 [0,1,0,1,0,0|0,0,2]=4