0 B3R0.2 C=C(C)[Mg+] K5651 [0,0,0,0,0,0|3,0,0]=3 1 B3R0.2 CC(=O)O F69263 [0,0,0,0,0,0|1,0,0]=1 2 B3R0.2 CC(=O)[O-] C69398 [0,0,0,0,0,0|1,0,1]=2 3 B3R0.2 CC(=O)[O-] M67642 [0,0,0,0,0,0|1,0,1]=2 4 B3R0.2 CC(=O)[O-] N62590 [0,0,0,0,0,0|1,0,1]=2 5 B3R0.2 CC(=O)[O-] P67455 [0,0,0,0,0,0|1,0,1]=2 6 B3R0.2 CC(=O)[O-] R62611 [0,0,0,0,0,0|1,0,1]=2 7 B3R0.2 CC(=O)[O-] S62515 [0,0,0,0,0,0|1,0,1]=2 8 B3R0.2 CC(C)N P39142 [0,0,0,0,0,0|3,0,1]=4 9 B3R0.2 C[S+](C)C T68118 [0,0,0,0,0,0|4,0,0]=4 10 B3R0.2 C[S@](=O)[O-] S60840 [0,0,0,0,0,0|2,0,1]=3 11 B3R0.2 Cl[Au](Cl)Cl G62417 [0,0,0,0,0,0|4,0,0]=4 12 B3R0.2 Cl[Rh](Cl)Cl R69173 [0,0,0,0,0,0|4,0,0]=4 13 B3R0.2 Cl[Ru](Cl)Cl R67677 [0,0,0,0,0,0|4,0,0]=4 14 B3R0.2 Cl[Ru](Cl)Cl R69358 [0,0,0,0,0,0|4,0,0]=4 15 B3R0.2 N=C(N)Cl C39757 [0,0,0,0,0,0|3,0,0]=3 16 B3R0.2 NC(=S)S A39756 [0,0,0,0,0,0|1,2,0]=3 17 B3R0.2 O=C([O-])[O-] S60755 [0,0,0,0,0,0|0,0,2]=2 18 B3R0.2 O[11B](O)O B5112 [0,0,0,0,0,0|1,0,1]=2 19 B2R0.1 Br[Ni]Br N62631 [1,0,0,0,0,0|3,0,0]=4 20 B2R0.1 Br[Pd]Br P61170 [1,0,0,0,0,0|3,0,0]=4 21 B2R0.1 CNN M39755 [1,0,0,0,0,0|3,0,0]=4 22 B2R0.1 CNO M67840 [1,0,0,0,0,0|2,0,0]=3 23 B2R0.1 CON H69345 [1,0,0,0,0,0|3,0,0]=4 24 B2R0.1 CSC C60754 [1,0,0,0,0,0|3,0,0]=4 25 B2R0.1 Cl[Pt]Cl P61330 [1,0,0,0,0,0|3,0,0]=4 26 B2R0.1 N=CN F67909 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.1 C#CC(N)=O P39827 [0,1,0,0,0,0|2,0,0]=3 28 B4R0.1 C#C[C@@H](C)O B62970 [0,1,0,0,0,0|2,0,1]=4 29 B4R0.1 C#C[C@H](C)O B40212 [0,1,0,0,0,0|2,0,1]=4 30 B4R0.1 C=C(Br)CO B39863 [0,1,0,0,0,0|2,0,0]=3 31 B4R0.1 C=C(I)CO I9998 [0,1,0,0,0,0|2,0,0]=3 32 B4R0.1 CC(=N)NN A38897 [0,1,0,0,0,0|3,0,0]=4 33 B4R0.1 CC(=O)CN A38843 [0,1,0,0,0,0|2,0,0]=3 34 B4R0.1 CC(=O)CO H60801 [0,1,0,0,0,0|1,0,0]=2 35 B4R0.1 CC(=O)NN A64932 [0,1,0,0,0,0|2,0,0]=3 36 B4R0.1 CC(C)=CBr B2881 [0,1,0,0,0,0|3,0,0]=4 37 B4R0.1 CC(C)NO P39934 [0,1,0,0,0,0|2,0,1]=4 38 B4R0.1 CC(C)ON P39935 [0,1,0,0,0,0|2,0,1]=4 39 B4R0.1 CC(N)=NO H37897 [0,1,0,0,0,0|2,0,0]=3 40 B4R0.1 CCB(O)O E3108 [0,1,0,0,0,0|2,0,0]=3 41 B4R0.1 CCC(=N)N P39882 [0,1,0,0,0,0|3,0,0]=4 42 B4R0.1 CCC(=N)N P39927 [0,1,0,0,0,0|3,0,0]=4 43 B4R0.1 CCC(N)=O P68920 [0,1,0,0,0,0|2,0,0]=3 44 B4R0.1 CC[S@](=O)[O-] S39781 [0,1,0,0,0,0|2,0,1]=4 45 B4R0.1 CNC(=N)N M38407 [0,1,0,0,0,0|3,0,0]=4 46 B4R0.1 COC(=N)N M69240 [0,1,0,0,0,0|2,0,0]=3 47 B4R0.1 CSC(=N)N M60715 [0,1,0,0,0,0|2,1,0]=4 48 B4R0.1 C[C@@H](Cl)CO C39879 [0,1,0,0,0,0|2,0,1]=4 49 B4R0.1 C[C@@H](N)CO A13415 [0,1,0,0,0,0|2,0,1]=4 50 B4R0.1 C[C@@H](O)CCl C67728 [0,1,0,0,0,0|2,0,1]=4 51 B4R0.1 C[C@@H](O)CN A67482 [0,1,0,0,0,0|2,0,1]=4 52 B4R0.1 C[C@H](Cl)CO C39880 [0,1,0,0,0,0|2,0,1]=4 53 B4R0.1 C[C@H](N)CO A13416 [0,1,0,0,0,0|2,0,1]=4 54 B4R0.1 C[C@H](N)CO A69136 [0,1,0,0,0,0|2,0,1]=4 55 B4R0.1 C[C@H](O)CN A69178 [0,1,0,0,0,0|2,0,1]=4 56 B4R0.1 C[C@H](O)CO P60705 [0,1,0,0,0,0|1,0,1]=3 57 B4R0.1 N=C(N)CCl C39776 [0,1,0,0,0,0|3,0,0]=4 58 B4R0.1 N=C(N)CO H39795 [0,1,0,0,0,0|2,0,0]=3 59 B4R0.1 NC(=O)CBr B39771 [0,1,0,0,0,0|2,0,0]=3 60 B4R0.1 NC(=O)CI K60849 [0,1,0,0,0,0|2,0,0]=3 61 B4R0.1 NC(=O)CO H68919 [0,1,0,0,0,0|1,0,0]=2 62 B4R0.1 NC(=S)CF F6787 [0,1,0,0,0,0|2,1,0]=4 63 B4R0.1 NCC(N)=O G69255 [0,1,0,0,0,0|2,0,0]=3 64 B4R0.1 NNC(N)=O S69135 [0,1,0,0,0,0|2,0,0]=3 65 B4R0.1 NNC(N)=S T60590 [0,1,0,0,0,0|2,1,0]=4 66 B4R0.1 ON=C(Br)Br D2176 [0,1,0,0,0,0|2,0,0]=3 67 B4R0.3 CS(=O)(=O)[O-] S62601 [0,1,0,0,0,0|1,0,2]=4 68 B4R0.3 CS(C)(=O)=O M60798 [0,1,0,0,0,0|2,0,1]=4 69 B4R0.3 CS(N)(=O)=O M69310 [0,1,0,0,0,0|2,0,1]=4 70 B4R0.3 C[S+](C)(C)=O T39939 [0,1,0,0,0,0|3,0,0]=4 71 B4R0.3 C[S+](C)(C)=O T69142 [0,1,0,0,0,0|3,0,0]=4 72 B4R0.3 C[S@@](=O)([O-])=S S39758 [0,1,0,0,0,0|1,1,1]=4 73 B4R0.3 NS(=O)(=O)Cl S60606 [0,1,0,0,0,0|2,0,1]=4 74 B4R0.3 NS(N)(=O)=O S39159 [0,1,0,0,0,0|2,0,1]=4 75 B4R0.3 O=S(=O)(O)O M68565 [0,1,0,0,0,0|1,0,0]=2 76 B4R0.3 O=S(=O)([O-])[O-] A64802 [0,1,0,0,0,0|1,0,2]=4 77 B4R0.3 O=S(=O)([O-])[O-] C60885 [0,1,0,0,0,0|1,0,2]=4 78 B4R0.3 O=S(=O)([O-])[O-] C64768 [0,1,0,0,0,0|1,0,2]=4 79 B4R1.2 OC1CC1 C21681 [0,0,0,1,0,0|2,0,1]=4 80 B1R0.1 NN H69268 [2,0,0,0,0,0|2,0,0]=4 81 B1R0.1 S=[Ca] C64763 [2,0,0,0,0,0|1,1,0]=4 82 B3R0.1 CCON E60797 [1,1,0,0,0,0|1,0,1]=4 83 B5R0.1 C#CCC(=O)O B38084 [0,2,0,0,0,0|1,0,0]=3 84 B5R0.1 C=C(C)CON M40345 [0,2,0,0,0,0|2,0,0]=4 85 B5R0.1 C=C(C)OCC E5573 [0,2,0,0,0,0|2,0,0]=4 86 B5R0.1 CC#CC(=O)O B67945 [0,2,0,0,0,0|1,0,0]=3 87 B5R0.1 CC(=O)CC#N X40158 [0,2,0,0,0,0|2,0,0]=4 88 B5R0.1 CC(=O)CCCl C69539 [0,2,0,0,0,0|2,0,0]=4 89 B5R0.1 CCCB(O)O P5056 [0,2,0,0,0,0|2,0,0]=4 90 B5R0.1 CCOC(=N)N E36845 [0,2,0,0,0,0|2,0,0]=4 91 B5R0.1 CCOC(=S)[S-] P69346 [0,2,0,0,0,0|0,2,0]=4 92 B5R0.1 CCOC(C)=N E68065 [0,2,0,0,0,0|2,0,0]=4 93 B5R0.1 CNCC(=O)O M68590 [0,2,0,0,0,0|1,0,0]=3 94 B5R0.1 CNCC(N)=O M68358 [0,2,0,0,0,0|2,0,0]=4 95 B5R0.1 COCC(=N)N M39928 [0,2,0,0,0,0|2,0,0]=4 96 B5R0.1 COCC(=O)O M69331 [0,2,0,0,0,0|0,0,0]=2 97 B5R0.1 COC[C@@H](C)O M39959 [0,2,0,0,0,0|1,0,1]=4 98 B5R0.1 COC[C@H](C)O M61064 [0,2,0,0,0,0|1,0,1]=4 99 B5R0.1 C[C@H](O)CCO B68917 [0,2,0,0,0,0|1,0,1]=4 100 B5R0.1 N#CCC(N)=O C60562 [0,2,0,0,0,0|2,0,0]=4 101 B5R0.1 NCCC(N)=O A67869 [0,2,0,0,0,0|2,0,0]=4 102 B5R0.1 NCC[P@H](=O)O A39788 [0,2,0,0,0,0|2,0,0]=4 103 B5R0.1 NOCC(=O)O C40302 [0,2,0,0,0,0|0,0,0]=2 104 B5R0.1 O=C(O)\C=C\Br B9431 [0,2,0,0,0,0|1,0,0]=3 105 B5R0.1 O=[N+]([O-])CCO N39779 [0,2,0,0,0,0|1,0,1]=4 106 B5R0.3 C#CC(=O)OC M40108 [0,2,0,0,0,0|1,0,0]=3 107 B5R0.3 C=C(CO)CO M5145 [0,2,0,0,0,0|1,0,0]=3 108 B5R0.3 C=CC(=O)NC M37664 [0,2,0,0,0,0|2,0,0]=4 109 B5R0.3 CC(CO)CO M60880 [0,2,0,0,0,0|1,0,1]=4 110 B5R0.3 CCC(=N)NO H39883 [0,2,0,0,0,0|2,0,0]=4 111 B5R0.3 CCC(=O)CN A32390 [0,2,0,0,0,0|2,0,0]=4 112 B5R0.3 CCC(=O)CO H36713 [0,2,0,0,0,0|1,0,0]=3 113 B5R0.3 CC[C@@H](O)CO B39955 [0,2,0,0,0,0|1,0,1]=4 114 B5R0.3 CC[C@H](O)CO B39956 [0,2,0,0,0,0|1,0,1]=4 115 B5R0.3 CNC(=O)CBr B60913 [0,2,0,0,0,0|2,0,0]=4 116 B5R0.3 CNC(=O)CCl C67921 [0,2,0,0,0,0|2,0,0]=4 117 B5R0.3 COC(=O)CN M69126 [0,2,0,0,0,0|1,0,0]=3 118 B5R0.3 COC(=O)CO M67586 [0,2,0,0,0,0|0,0,0]=2 119 B5R0.3 CO[C@@H](C)CO M68380 [0,2,0,0,0,0|1,0,1]=4 120 B5R0.3 CO[C@H](C)CO M68381 [0,2,0,0,0,0|1,0,1]=4 121 B5R0.3 NC[C@@H](O)CO A67523 [0,2,0,0,0,0|1,0,1]=4 122 B5R0.3 NC[C@H](O)CO A38562 [0,2,0,0,0,0|1,0,1]=4 123 B5R0.3 NC[C@H](O)CO A67451 [0,2,0,0,0,0|1,0,1]=4 124 B5R0.3 NNC(=O)CO H32091 [0,2,0,0,0,0|1,0,0]=3 125 B5R0.3 O=C(CCl)CCl D4849 [0,2,0,0,0,0|2,0,0]=4 126 B5R0.3 O=C[C@H](O)CO D39873 [0,2,0,0,0,0|0,0,1]=3 127 B5R0.3 OC[C@@H](O)CCl C69122 [0,2,0,0,0,0|1,0,1]=4 128 B5R0.3 OC[C@@H](O)CF F60905 [0,2,0,0,0,0|1,0,1]=4 129 B5R0.3 OC[C@H](O)CCl C68371 [0,2,0,0,0,0|1,0,1]=4 130 B5R0.3 OC[C@H](O)CF F60904 [0,2,0,0,0,0|1,0,1]=4 131 B5R0.4 CC(C)(O)CO M37968 [0,2,0,0,0,0|1,0,1]=4 132 B5R0.4 COS(C)(=O)=O M67643 [0,2,0,0,0,0|1,0,1]=4 133 B5R0.5 C=C(F)C(=O)O F39831 [0,2,0,0,0,0|1,0,0]=3 134 B5R0.5 CC(=O)C(=O)[O-] C43424 [0,2,0,0,0,0|0,0,2]=4 135 B5R0.5 CC(C)B(O)O P39893 [0,2,0,0,0,0|2,0,0]=4 136 B5R0.5 CC(C)C(N)=O I4848 [0,2,0,0,0,0|2,0,0]=4 137 B5R0.5 CC(O)C(=O)[O-] C60888 [0,2,0,0,0,0|0,0,1]=3 138 B5R0.5 CN(N)C(N)=O M1991 [0,2,0,0,0,0|2,0,0]=4 139 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [0,2,0,0,0,0|1,0,0]=3 140 B5R0.5 C[C@@H](N)C(N)=O A69602 [0,2,0,0,0,0|2,0,0]=4 141 B5R0.5 C[C@@H](O)C(N)=O H68918 [0,2,0,0,0,0|1,0,0]=3 142 B5R0.5 C[C@@H](O)[C@@H](C)O B39957 [0,2,0,0,0,0|1,0,1]=4 143 B5R0.5 C[C@H](N)C(=O)O A39925 [0,2,0,0,0,0|1,0,0]=3 144 B5R0.5 C[C@H](N)C(=O)O A60902 [0,2,0,0,0,0|1,0,0]=3 145 B5R0.5 C[C@H](O)[C@H](C)O B39958 [0,2,0,0,0,0|1,0,1]=4 146 B5R0.5 O=C(O)C(=O)O A69569 [0,2,0,0,0,0|0,0,0]=2 147 B5R0.5 O=C(O)C(=O)O E39942 [0,2,0,0,0,0|0,0,0]=2 148 B5R0.5 OB(O)B(O)O H67652 [0,2,0,0,0,0|1,0,1]=4 149 B5R1.2 O=C1CCC1 C8674 [0,1,0,1,0,0|2,0,0]=4 150 B5R1.2 O=C1CNC1 A1318 [0,1,0,1,0,0|2,0,0]=4 151 B5R1.2 O=C1COC1 O4015 [0,1,0,1,0,0|1,0,0]=3 152 B5R1.2 O=C1CSC1 T6026 [0,1,0,1,0,0|1,1,0]=4 153 B5R1.2 OC1COC1 O5686 [0,1,0,1,0,0|1,0,1]=4 154 B5R1.3 OC[C@@H]1CO1 X39872 [0,1,0,1,0,0|1,0,1]=4 155 B5R1.3 OC[C@H]1CO1 X60516 [0,1,0,1,0,0|1,0,1]=4