0 B3R0.2 C=C(C)Cl D89355 [0,0,0,0,0,0|2,0,0]=2 1 B3R0.2 CC(=O)I D88212 [0,0,0,0,0,0|1,0,0]=1 2 B3R0.2 CC(=O)[O-] AC2627 [0,0,0,0,0,0|0,0,1]=1 3 B3R0.2 CC(=O)[O-] D74533 [0,0,0,0,0,0|0,0,1]=1 4 B3R0.2 CC(C)N D91217 [0,0,0,0,0,0|2,0,1]=3 5 B3R0.2 CC(C)[Mg+] F20330 [0,0,0,0,0,0|2,0,1]=3 6 B3R0.2 CC(C)[O-] T72084 [0,0,0,0,0,0|1,0,2]=3 7 B3R0.2 CC(C)[O-] T72816 [0,0,0,0,0,0|1,0,2]=3 8 B3R0.2 CC(O)=S A11392 [0,0,0,0,0,0|0,1,0]=1 9 B3R0.2 C[Pt+](C)C F10278 [0,0,0,0,0,0|3,0,0]=3 10 B3R0.2 C[S+](C)C D92490 [0,0,0,0,0,0|3,0,0]=3 11 B3R0.2 C[Si](Cl)Cl D89641 [0,0,0,0,0,0|2,1,0]=3 12 B3R0.2 C[SnH2+](C)C H11332 [0,0,0,0,0,0|3,0,0]=3 13 B3R0.2 N=C(N)N D90721 [0,0,0,0,0,0|3,0,0]=3 14 B3R0.2 N=C(N)N D90769 [0,0,0,0,0,0|3,0,0]=3 15 B3R0.2 O=C([O-])[O-] AC2543 [0,0,0,0,0,0|1,0,1]=2 16 B3R0.2 O=C([O-])[O-] D78271 [0,0,0,0,0,0|1,0,1]=2 17 B3R0.2 O=[15N+]([O-])[O-] 41447 [0,0,0,0,0,0|2,0,1]=3 18 B3R0.2 O=[N+]([O-])[O-] A11746 [0,0,0,0,0,0|2,0,1]=3 19 B3R0.2 O=[Si]([O-])[O-] C13411 [0,0,0,0,0,0|1,1,1]=3 20 B3R0.2 O=[Te]([O-])[O-] A10883 [0,0,0,0,0,0|2,0,1]=3 21 B3R0.2 [O-]P([O-])[O-] H11050 [0,0,0,0,0,0|2,0,2]=4 22 B2R0.1 CC[O-] F19542 [1,0,0,0,0,0|0,0,2]=3 23 B2R0.1 CC[O-] H12076 [1,0,0,0,0,0|0,0,2]=3 24 B2R0.1 CNC D90364 [1,0,0,0,0,0|2,0,0]=3 25 B2R0.1 CSC D89934 [1,0,0,0,0,0|2,0,0]=3 26 B2R0.1 C[Se]C T71107 [1,0,0,0,0,0|2,0,0]=3 27 B2R0.1 N#CO D91614 [1,0,0,0,0,0|1,0,1]=3 28 B2R0.1 N#CS D90694 [1,0,0,0,0,0|1,1,1]=4 29 B2R0.1 N#CS T72712 [1,0,0,0,0,0|1,1,1]=4 30 B2R0.1 N=CN A12064 [1,0,0,0,0,0|2,0,0]=3 31 B2R0.1 N=CN T73028 [1,0,0,0,0,0|2,0,0]=3 32 B2R0.1 O=C[O-] AC2230 [1,0,0,0,0,0|0,0,1]=2 33 B2R0.1 O=C[O-] D90640 [1,0,0,0,0,0|0,0,1]=2 34 B2R0.1 O=[Co][O-] H11983 [1,0,0,0,0,0|1,0,1]=3 35 B4R0.1 BrC=C(Br)Br D92394 [0,1,0,0,0,0|2,0,1]=4 36 B4R0.1 BrCC(Br)Br D92392 [0,1,0,0,0,0|2,0,1]=4 37 B4R0.1 C#C[C@H](C)Cl T70555 [0,1,0,0,0,0|2,0,1]=4 38 B4R0.1 C#C[C@H](C)N AB10370 [0,1,0,0,0,0|2,0,1]=4 39 B4R0.1 C=C(C)CC D91286 [0,1,0,0,0,0|2,0,0]=3 40 B4R0.1 C=C(C)OC D91123 [0,1,0,0,0,0|1,0,0]=2 41 B4R0.1 C=C[C@H](C)Cl F11733 [0,1,0,0,0,0|2,0,1]=4 42 B4R0.1 CC(=O)C#N N12035 [0,1,0,0,0,0|1,0,0]=2 43 B4R0.1 CC(=O)CO S12357 [0,1,0,0,0,0|0,0,0]=1 44 B4R0.1 CC(=O)C[Hg+] C16200 [0,1,0,0,0,0|1,0,0]=2 45 B4R0.1 CC(C)CI H11266 [0,1,0,0,0,0|2,0,1]=4 46 B4R0.1 CC(C)CN D91216 [0,1,0,0,0,0|2,0,1]=4 47 B4R0.1 CC(C)NO AT14836 [0,1,0,0,0,0|1,0,1]=3 48 B4R0.1 CCC(=O)Br D91967 [0,1,0,0,0,0|1,0,0]=2 49 B4R0.1 CC[C@H](C)N D86790 [0,1,0,0,0,0|2,0,1]=4 50 B4R0.1 CC[Si](Cl)Cl D89935 [0,1,0,0,0,0|2,1,0]=4 51 B4R0.1 CN(C)C#N D89796 [0,1,0,0,0,0|3,0,0]=4 52 B4R0.1 CSC(C)C D91165 [0,1,0,0,0,0|1,1,1]=4 53 B4R0.1 CS[S+](C)C T71091 [0,1,0,0,0,0|2,1,0]=4 54 B4R0.1 C[C@H](O)CBr D73281 [0,1,0,0,0,0|1,0,1]=3 55 B4R0.1 C[C@H](O)CN D91104 [0,1,0,0,0,0|1,0,1]=3 56 B4R0.1 C\C=C(/C)Br D88804 [0,1,0,0,0,0|2,0,0]=3 57 B4R0.1 C\C=C(/C)Cl T70927 [0,1,0,0,0,0|2,0,0]=3 58 B4R0.1 C\C=C(\C)Cl T70584 [0,1,0,0,0,0|2,0,0]=3 59 B4R0.1 N=C(N)CCl C11400 [0,1,0,0,0,0|2,0,0]=3 60 B4R0.1 NC(=O)CF A10407 [0,1,0,0,0,0|1,0,0]=2 61 B4R0.1 NNC(N)=S E72548 [0,1,0,0,0,0|2,1,0]=4 62 B4R0.1 O=C(O)CI H11974 [0,1,0,0,0,0|0,0,0]=1 63 B4R0.1 O=C([O-])CO D90726 [0,1,0,0,0,0|0,0,1]=2 64 B4R0.1 O=CC(Cl)Cl D89627 [0,1,0,0,0,0|2,0,1]=4 65 B4R0.3 CC(C)(C)N D87618 [0,1,0,0,0,0|2,0,1]=4 66 B4R0.3 CC(C)(C)N T70874 [0,1,0,0,0,0|2,0,1]=4 67 B4R0.3 CC(C)(C)S AT13962 [0,1,0,0,0,0|1,1,1]=4 68 B4R0.3 CC(C)(C)[Mg+] F20329 [0,1,0,0,0,0|2,0,1]=4 69 B4R0.3 CC(C)(C)[S-] AT13951 [0,1,0,0,0,0|1,1,1]=4 70 B4R0.3 CC(C)(Cl)Cl D89646 [0,1,0,0,0,0|2,0,1]=4 71 B4R0.3 C[As](C)(=O)O D89352 [0,1,0,0,0,0|1,0,0]=2 72 B4R0.3 C[Ge](C)(C)C D92458 [0,1,0,0,0,0|2,1,0]=4 73 B4R0.3 C[N+](C)(C)C D92635 [0,1,0,0,0,0|3,0,0]=4 74 B4R0.3 O=Cl(=O)(=O)O H12019 [0,1,0,0,0,0|2,0,0]=3 75 B4R0.3 O=P([O-])([O-])[O-] H10789 [0,1,0,0,0,0|2,0,1]=4 76 B4R0.3 O=S(=O)(O)O D91345 [0,1,0,0,0,0|2,0,0]=3 77 B4R0.3 O=S(=O)([O-])[O-] C14082 [0,1,0,0,0,0|2,0,1]=4 78 B4R0.3 O=S(=O)([O-])[O-] D95716 [0,1,0,0,0,0|2,0,1]=4 79 B4R0.3 O=S(=O)([O-])[O-] F21252 [0,1,0,0,0,0|2,0,1]=4 80 B4R0.3 O=S(=O)([O-])[O-] H11969 [0,1,0,0,0,0|2,0,1]=4 81 B4R0.3 O=[Te](=O)([O-])[O-] D92281 [0,1,0,0,0,0|2,0,1]=4 82 B4R1.2 NC1CC1 AT18321 [0,0,0,1,0,0|2,0,1]=4 83 B1R0.1 CN D95294 [2,0,0,0,0,0|1,0,0]=3 84 B1R0.1 C[Re+6] D91479 [2,0,0,0,0,0|1,0,0]=3 85 B1R0.1 [13CH3]O 41445 [2,0,0,0,0,0|0,0,0]=2 86 B3R0.1 C=CCN 68202 [1,1,0,0,0,0|1,0,0]=3 87 B3R0.1 C=CCS D88323 [1,1,0,0,0,0|1,0,0]=3 88 B3R0.1 CC#CC D88719 [1,1,0,0,0,0|1,0,1]=4 89 B3R0.1 CN=C=S P20003 [1,1,0,0,0,0|0,1,1]=4 90 B3R0.1 C\C=C/Br 23063 [1,1,0,0,0,0|1,0,0]=3 91 B3R0.1 C\C=C/Cl D89227 [1,1,0,0,0,0|1,0,0]=3 92 B3R0.1 C\C=C\Br D88739 [1,1,0,0,0,0|1,0,0]=3 93 B3R0.1 Cl\C=C/Cl D89638 [1,1,0,0,0,0|1,0,1]=4 94 B3R0.1 NCCCl D87646 [1,1,0,0,0,0|1,0,1]=4 95 B3R0.1 NCCF D87785 [1,1,0,0,0,0|1,0,1]=4 96 B3R0.1 NCCN D88914 [1,1,0,0,0,0|1,0,1]=4 97 B3R0.1 NCCS D88360 [1,1,0,0,0,0|0,1,1]=4 98 B5R0.1 C#CC[C@H](C)O F16209 [0,2,0,0,0,0|1,0,1]=4 99 B5R0.1 C=COC(C)C 28748 [0,2,0,0,0,0|1,0,1]=4 100 B5R0.1 CC(=O)CCN 89829 [0,2,0,0,0,0|1,0,0]=3 101 B5R0.1 CC(=O)\C=C\[O-] D78712 [0,2,0,0,0,0|0,0,1]=3 102 B5R0.1 CC(=O)\C=N\O 34785 [0,2,0,0,0,0|0,0,0]=2 103 B5R0.1 CC(C)=CCCl D89386 [0,2,0,0,0,0|2,0,0]=4 104 B5R0.1 CCC=C(C)C D91353 [0,2,0,0,0,0|2,0,0]=4 105 B5R0.1 CCNC(=N)N C11147 [0,2,0,0,0,0|2,0,0]=4 106 B5R0.1 CCNC(N)=S D86340 [0,2,0,0,0,0|1,1,0]=4 107 B5R0.1 CCOC(C)=S 28959 [0,2,0,0,0,0|0,1,0]=3 108 B5R0.1 CCOC(C)C D90509 [0,2,0,0,0,0|1,0,1]=4 109 B5R0.1 CN(C)CC=O D82969 [0,2,0,0,0,0|2,0,0]=4 110 B5R0.1 CN(C)CC=O D87734 [0,2,0,0,0,0|2,0,0]=4 111 B5R0.1 CN(C)CCO A11060 [0,2,0,0,0,0|2,0,0]=4 112 B5R0.1 CNOC(C)=O T70513 [0,2,0,0,0,0|0,0,0]=2 113 B5R0.1 COC[C@H](C)N 88101 [0,2,0,0,0,0|1,0,1]=4 114 B5R0.1 COC[C@H](C)O E72455 [0,2,0,0,0,0|0,0,2]=4 115 B5R0.1 C[C@H](O)CCN C80087 [0,2,0,0,0,0|1,0,1]=4 116 B5R0.1 C\C(Cl)=C/CCl D89634 [0,2,0,0,0,0|2,0,0]=4 117 B5R0.1 C\C=C\C(N)=O D89245 [0,2,0,0,0,0|1,0,0]=3 118 B5R0.1 ClCC=C(Cl)Cl D86339 [0,2,0,0,0,0|2,0,0]=4 119 B5R0.1 NC(=O)CCCl S12033 [0,2,0,0,0,0|1,0,0]=3 120 B5R0.1 NOCC(=O)O AT14480 [0,2,0,0,0,0|0,0,0]=2 121 B5R0.3 C=C\C(C)=C\C D91314 [0,2,0,0,0,0|2,0,0]=4 122 B5R0.3 CC[C@H](C)OC D88882 [0,2,0,0,0,0|1,0,1]=4 123 B5R0.3 CC\C(N)=N\O V10166 [0,2,0,0,0,0|1,0,0]=3 124 B5R0.3 COC(=O)CF F11448 [0,2,0,0,0,0|0,0,0]=2 125 B5R0.3 COC(C)OC D89692 [0,2,0,0,0,0|0,0,2]=4 126 B5R0.3 CO[Si](C)OC D89993 [0,2,0,0,0,0|0,1,1]=4 127 B5R0.3 C[C@@H](CO)CBr D76160 [0,2,0,0,0,0|1,0,1]=4 128 B5R0.3 C\C(C=O)=C/N 30165 [0,2,0,0,0,0|1,0,0]=3 129 B5R0.3 C\C=C(/C)C=O D92433 [0,2,0,0,0,0|1,0,0]=3 130 B5R0.3 C\C=C(/C)CC D91312 [0,2,0,0,0,0|2,0,0]=4 131 B5R0.3 C\C=C(\C)CC T73073 [0,2,0,0,0,0|2,0,0]=4 132 B5R0.3 N=C(CO)NO D75090 [0,2,0,0,0,0|1,0,0]=3 133 B5R0.3 OC(CF)CF 96887 [0,2,0,0,0,0|1,0,1]=4 134 B5R0.3 O[C@@H](CF)CCl 94770 [0,2,0,0,0,0|1,0,1]=4 135 B5R0.4 CC(C)(C)C=O D78124 [0,2,0,0,0,0|1,0,1]=4 136 B5R0.4 CCS(=O)(=O)[O-] D78206 [0,2,0,0,0,0|1,0,1]=4 137 B5R0.4 CC[S@@](=O)([O-])=S D92265 [0,2,0,0,0,0|1,0,1]=4 138 B5R0.4 CNS(=O)(=O)O T72441 [0,2,0,0,0,0|1,0,0]=3 139 B5R0.4 COP(=O)([O-])[O-] D91935 [0,2,0,0,0,0|1,0,1]=4 140 B5R0.4 CS(=O)(=O)NN C10694 [0,2,0,0,0,0|1,0,1]=4 141 B5R0.4 O=S(=O)(Cl)CCl AT12630 [0,2,0,0,0,0|1,0,1]=4 142 B5R0.5 C=C(C)C(=O)[O-] D91355 [0,2,0,0,0,0|0,0,1]=3 143 B5R0.5 C=C(C)C(C)=O D87596 [0,2,0,0,0,0|1,0,0]=3 144 B5R0.5 C=C(C)C(C)C D89792 [0,2,0,0,0,0|2,0,0]=4 145 B5R0.5 CC(=O)[C@H](C)O D93492 [0,2,0,0,0,0|0,0,0]=2 146 B5R0.5 CC(C)=C(C)C D89701 [0,2,0,0,0,0|2,0,0]=4 147 B5R0.5 CC(C)C(=O)Br D91083 [0,2,0,0,0,0|1,0,0]=3 148 B5R0.5 CN(C)C(=S)S D89709 [0,2,0,0,0,0|0,2,0]=4 149 B5R0.5 C[C@H](N)C(N)=O FD21068 [0,2,0,0,0,0|1,0,0]=3 150 B5R0.5 C[C@H](O)C(N)=O D91225 [0,2,0,0,0,0|0,0,1]=3 151 B5R0.5 O=C(O)C(=O)O A11520 [0,2,0,0,0,0|0,0,1]=3 152 B5R0.5 O=C(O)[C@@H](F)Cl AT19759 [0,2,0,0,0,0|0,0,0]=2 153 B5R0.5 O=C(O)[C@@H](F)Cl AT19773 [0,2,0,0,0,0|0,0,0]=2 154 B5R0.5 O=C([O-])C(=O)[O-] H10855 [0,2,0,0,0,0|0,0,2]=4 155 B3R1.1 C1CS1 D90441 [1,0,0,1,0,0|0,1,1]=4 156 B5R1.2 OC1CNC1 S11377 [0,1,0,1,0,0|1,0,1]=4 157 B5R1.3 CC[C@H]1CO1 D89036 [0,1,0,1,0,0|1,0,1]=4 158 B5R1.3 FC[C@H]1CO1 AT22387 [0,1,0,1,0,0|1,0,1]=4 159 B5R1.3 OCC1CC1 F10303 [0,1,0,1,0,0|1,0,1]=4 160 B5R1.4 C[C@@H]1O[C@@H]1C D85879 [0,1,0,1,0,0|1,0,1]=4