0 B4R0.3 CS(=O)(=O)[O-] S62601 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.3 CS(C)(=O)=O M60798 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.3 CS(N)(=O)=O M69310 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.3 C[B-](F)(F)F P67715 [0,0,0,0,0,0|4,0,0]=4 4 B4R0.3 C[N+](C)(C)C T68346 [0,0,0,0,0,0|1,0,0]=1 5 B4R0.3 C[N+](C)(C)C T68617 [0,0,0,0,0,0|1,0,0]=1 6 B4R0.3 C[N+](C)(C)C T69133 [0,0,0,0,0,0|1,0,0]=1 7 B4R0.3 C[S+](C)(C)=O T39939 [0,0,0,0,0,0|1,0,1]=2 8 B4R0.3 C[S+](C)(C)=O T69142 [0,0,0,0,0,0|1,0,1]=2 9 B4R0.3 C[S@@](=O)([O-])=S S39758 [0,0,0,0,0,0|3,0,0]=3 10 B4R0.3 O=S(=O)([O-])[O-] A64802 [0,0,0,0,0,0|4,0,0]=4 11 B4R0.3 O=S(=O)([O-])[O-] C60885 [0,0,0,0,0,0|4,0,0]=4 12 B4R0.3 O=S(=O)([O-])[O-] C64768 [0,0,0,0,0,0|4,0,0]=4 13 B3R0.2 C=C(C)[Mg+] K5651 [1,0,0,0,0,0|2,0,1]=4 14 B3R0.2 CC(=O)O F69263 [1,0,0,0,0,0|2,0,1]=4 15 B3R0.2 CC(=O)[O-] C69398 [1,0,0,0,0,0|2,0,0]=3 16 B3R0.2 CC(=O)[O-] M67642 [1,0,0,0,0,0|2,0,0]=3 17 B3R0.2 CC(=O)[O-] N62590 [1,0,0,0,0,0|2,0,0]=3 18 B3R0.2 CC(=O)[O-] P67455 [1,0,0,0,0,0|2,0,0]=3 19 B3R0.2 CC(=O)[O-] R62611 [1,0,0,0,0,0|2,0,0]=3 20 B3R0.2 CC(=O)[O-] S62515 [1,0,0,0,0,0|2,0,0]=3 21 B3R0.2 CC(C)N P39142 [1,0,0,0,0,0|2,0,0]=3 22 B3R0.2 C[S+](C)C T68118 [1,0,0,0,0,0|1,0,0]=2 23 B3R0.2 C[S@](=O)[O-] S60840 [1,0,0,0,0,0|2,0,0]=3 24 B3R0.2 O=C([O-])[O-] S60755 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.4 C#CC(C)(C)C D2889 [0,1,0,0,0,0|2,0,0]=3 26 B5R0.4 C#C[Si](C)(C)C E40399 [0,1,0,0,0,0|2,0,0]=3 27 B5R0.4 C=C[Si](C)(C)C E25225 [0,1,0,0,0,0|2,0,0]=3 28 B5R0.4 CC(C)(C)CN D41344 [0,1,0,0,0,0|2,0,0]=3 29 B5R0.4 CC(C)(C)C[Mg+] D31702 [0,1,0,0,0,0|2,0,0]=3 30 B5R0.4 CC(C)(C)NO B41419 [0,1,0,0,0,0|1,0,1]=3 31 B5R0.4 CC(C)(C)ON B40314 [0,1,0,0,0,0|1,0,1]=3 32 B5R0.4 CC(C)(F)CO F64897 [0,1,0,0,0,0|2,0,0]=3 33 B5R0.4 CC(C)(N)C#N A39161 [0,1,0,0,0,0|2,0,1]=4 34 B5R0.4 CC(C)(N)CN M25502 [0,1,0,0,0,0|2,0,0]=3 35 B5R0.4 CC(C)(N)CO A68632 [0,1,0,0,0,0|2,0,0]=3 36 B5R0.4 CC(C)(O)CCl C40272 [0,1,0,0,0,0|1,0,1]=3 37 B5R0.4 CC(C)(O)CN A10987 [0,1,0,0,0,0|1,0,1]=3 38 B5R0.4 CC(C)(O)CO M37968 [0,1,0,0,0,0|1,0,1]=3 39 B5R0.4 CC(C)(S)CN A40315 [0,1,0,0,0,0|1,1,0]=3 40 B5R0.4 CC(F)(F)CN D38838 [0,1,0,0,0,0|3,0,0]=4 41 B5R0.4 CNS(C)(=O)=O M39134 [0,1,0,0,0,0|2,0,1]=4 42 B5R0.4 COS(C)(=O)=O M67643 [0,1,0,0,0,0|2,0,1]=4 43 B5R0.4 C[Si](C)(C)CI K39963 [0,1,0,0,0,0|2,0,0]=3 44 B5R0.4 [C-]#[N+]C(C)(C)C I29922 [0,1,0,0,0,0|2,0,0]=3 45 B5R1.5 CC1(Br)CC1 B29865 [0,0,0,1,0,0|2,0,0]=3 46 B5R1.5 CC1(N)CC1 M13330 [0,0,0,1,0,0|2,0,0]=3 47 B5R1.5 CC1(O)CC1 M22890 [0,0,0,1,0,0|1,0,1]=3 48 B2R0.1 CNN M39755 [2,0,0,0,0,0|1,0,1]=4 49 B2R0.1 CNO M67840 [2,0,0,0,0,0|0,0,2]=4 50 B2R0.1 CON H69345 [2,0,0,0,0,0|2,0,0]=4 51 B2R0.1 CSC C60754 [2,0,0,0,0,0|1,0,0]=3 52 B4R0.1 C=NN(C)C D66909 [1,1,0,0,0,0|0,0,2]=4 53 B4R0.1 CC(=O)CN A38843 [1,1,0,0,0,0|1,0,1]=4 54 B4R0.1 CC(=O)CO H60801 [1,1,0,0,0,0|1,0,1]=4 55 B4R0.1 CC(C)=CBr B2881 [1,1,0,0,0,0|1,0,1]=4 56 B4R0.1 CC(C)NN P67395 [1,1,0,0,0,0|2,0,0]=4 57 B4R0.1 CC(C)NO P39934 [1,1,0,0,0,0|1,0,1]=4 58 B4R0.1 CC(C)ON P39935 [1,1,0,0,0,0|1,0,1]=4 59 B4R0.1 CC[C@H](C)N B62608 [1,1,0,0,0,0|2,0,0]=4 60 B4R0.1 CC[S@](=O)[O-] S39781 [1,1,0,0,0,0|2,0,0]=4 61 B4R0.1 CNN(C)C T66359 [1,1,0,0,0,0|0,0,1]=3 62 B4R0.1 C[C@@H](Cl)CO C39879 [1,1,0,0,0,0|2,0,0]=4 63 B4R0.1 C[C@@H](N)CN D39937 [1,1,0,0,0,0|2,0,0]=4 64 B4R0.1 C[C@@H](N)CO A13415 [1,1,0,0,0,0|2,0,0]=4 65 B4R0.1 C[C@@H](O)CCl C67728 [1,1,0,0,0,0|1,0,1]=4 66 B4R0.1 C[C@@H](O)CN A67482 [1,1,0,0,0,0|1,0,1]=4 67 B4R0.1 C[C@H](Br)CN B39885 [1,1,0,0,0,0|2,0,0]=4 68 B4R0.1 C[C@H](Cl)CO C39880 [1,1,0,0,0,0|2,0,0]=4 69 B4R0.1 C[C@H](N)CF F62811 [1,1,0,0,0,0|2,0,0]=4 70 B4R0.1 C[C@H](N)CN P39936 [1,1,0,0,0,0|2,0,0]=4 71 B4R0.1 C[C@H](N)CO A13416 [1,1,0,0,0,0|2,0,0]=4 72 B4R0.1 C[C@H](N)CO A69136 [1,1,0,0,0,0|2,0,0]=4 73 B4R0.1 C[C@H](O)CN A69178 [1,1,0,0,0,0|1,0,1]=4 74 B4R0.1 C[C@H](O)CO P60705 [1,1,0,0,0,0|1,0,1]=4 75 B6R0.5 C=CCC(C)(C)O M8263 [0,2,0,0,0,0|1,0,1]=4 76 B6R0.5 C=CO[Si](C)(C)C V40439 [0,2,0,0,0,0|1,0,1]=4 77 B6R0.5 CC#C[Si](C)(C)C T60601 [0,2,0,0,0,0|2,0,0]=4 78 B6R0.5 CC(C)(C)C#CI I1890 [0,2,0,0,0,0|2,0,0]=4 79 B6R0.5 CC(C)(C)CCBr B41571 [0,2,0,0,0,0|2,0,0]=4 80 B6R0.5 CC(C)(F)CCN F62077 [0,2,0,0,0,0|2,0,0]=4 81 B6R0.5 CC(C)(N)CCN M37075 [0,2,0,0,0,0|2,0,0]=4 82 B6R0.5 CC(C)(N)CCO A40444 [0,2,0,0,0,0|2,0,0]=4 83 B6R0.5 CC(C)(O)CCN A61563 [0,2,0,0,0,0|1,0,1]=4 84 B6R0.5 CCC[N+](C)(C)C T43586 [0,2,0,0,0,0|1,0,0]=3 85 B6R0.5 CNCC(C)(C)O M40445 [0,2,0,0,0,0|1,0,1]=4 86 B6R0.5 COCC(C)(C)O M40434 [0,2,0,0,0,0|1,0,1]=4 87 B6R0.5 C[N+](C)(C)CCO H63396 [0,2,0,0,0,0|0,0,1]=3 88 B6R0.5 C[Si](C)(C)C#CI K68542 [0,2,0,0,0,0|2,0,0]=4 89 B6R0.5 C[Si](C)(C)\C=C\I K60897 [0,2,0,0,0,0|2,0,0]=4 90 B6R0.7 CC(C)(C)C(=N)N P41342 [0,2,0,0,0,0|2,0,0]=4 91 B6R0.7 CC(C)(C)C(=O)[O-] P36605 [0,2,0,0,0,0|1,0,0]=3 92 B6R0.7 CC(C)(C)C(=O)[O-] S41305 [0,2,0,0,0,0|1,0,0]=3 93 B6R0.7 CC(C)(C)C(N)=O T40403 [0,2,0,0,0,0|1,0,1]=4 94 B6R0.7 CC(C)(C)C(N)=S D40417 [0,2,0,0,0,0|1,1,0]=4 95 B6R0.7 CC(C)(C)[S@@](N)=O B8185 [0,2,0,0,0,0|1,0,1]=4 96 B6R0.7 CC(C)(C)[S@@](N)=O M29758 [0,2,0,0,0,0|1,0,1]=4 97 B6R0.7 C[C@@H](N)C(C)(C)C D23001 [0,2,0,0,0,0|2,0,0]=4 98 B6R0.8 CC(C)(C#N)CO H38135 [0,2,0,0,0,0|2,0,0]=4 99 B6R0.8 CC(C)(CO)CCl C40423 [0,2,0,0,0,0|1,0,1]=4 100 B6R0.8 CNC(C)(C)CO M40446 [0,2,0,0,0,0|1,0,1]=4 101 B6R0.8 COC(C)(C)CN M6043 [0,2,0,0,0,0|1,0,1]=4 102 B4R1.2 BrC1CC1 B23669 [1,0,0,1,0,0|2,0,0]=4 103 B4R1.2 C[C@@H]1CN1 M6947 [1,0,0,1,0,0|2,0,0]=4 104 B4R1.2 C[C@H]1CN1 M6944 [1,0,0,1,0,0|2,0,0]=4 105 B4R1.2 OC1CC1 C21681 [1,0,0,1,0,0|1,0,1]=4 106 B6R1.7 CC1(CN)CC1 M41319 [0,1,0,1,0,0|2,0,0]=4 107 B6R1.7 CC1(CO)CC1 M29792 [0,1,0,1,0,0|1,0,1]=4 108 B6R1.7 CCC1(N)CC1 E29724 [0,1,0,1,0,0|2,0,0]=4 109 B6R1.7 C[C@]1(CCl)CO1 C62803 [0,1,0,1,0,0|1,0,1]=4 110 B6R1.7 NC1(CO)CC1 A1400 [0,1,0,1,0,0|2,0,0]=4 111 B6R1.7 NC1(CO)CC1 A16823 [0,1,0,1,0,0|2,0,0]=4 112 B6R1.7 NCC1(F)CC1 F60284 [0,1,0,1,0,0|2,0,0]=4 113 B6R1.7 NCC1(O)CC1 A13658 [0,1,0,1,0,0|1,0,1]=4 114 B6R1.9 CC1(C)C[C@@H]1Br B60254 [0,1,0,1,0,0|2,0,0]=4 115 B6R1.10 CC1(C)CNC1 D11454 [0,1,0,1,0,0|2,0,0]=4 116 B6R1.10 CC1(F)CNC1 F11719 [0,1,0,1,0,0|2,0,0]=4 117 B6R1.10 CC1(N)CCC1 M15665 [0,1,0,1,0,0|2,0,0]=4 118 B6R1.10 CC1(N)CCC1 M15666 [0,1,0,1,0,0|2,0,0]=4 119 B6R1.10 CC1(N)CCC1 M6467 [0,1,0,1,0,0|2,0,0]=4 120 B6R1.10 CC1(N)CNC1 A10361 [0,1,0,1,0,0|2,0,0]=4 121 B6R1.10 CC1(N)COC1 M5614 [0,1,0,1,0,0|2,0,0]=4 122 B6R1.10 CC1(N)COC1 M7167 [0,1,0,1,0,0|2,0,0]=4 123 B6R1.10 CC1(N)CSC1 M30085 [0,1,0,1,0,0|2,0,0]=4 124 B6R1.10 CC1(O)CNC1 H0307 [0,1,0,1,0,0|1,0,1]=4 125 B6R1.10 CC1(O)COC1 M6651 [0,1,0,1,0,0|1,0,1]=4 126 B6R1.10 CC1(O)CSC1 M29793 [0,1,0,1,0,0|1,0,1]=4