0 B3R0.1 C#CCBr 20264 [0,0,0,0,0,0|2,0,2]=4 1 B3R0.1 C#CCN 18842 [0,0,0,0,0,0|2,0,2]=4 2 B3R0.1 C#CCN 18845 [0,0,0,0,0,0|2,0,2]=4 3 B3R0.1 C#C[Mg]Br 18180 [0,0,0,0,0,0|3,0,1]=4 4 B3R0.1 C=CC=O 23303 [0,0,0,0,0,0|1,1,2]=4 5 B3R0.1 C=CCCl 35025 [0,0,0,0,0,0|2,0,2]=4 6 B3R0.1 C=CCI 12655 [0,0,0,0,0,0|2,0,2]=4 7 B3R0.1 C=CCN 19133 [0,0,0,0,0,0|2,0,2]=4 8 B3R0.1 CCCI 3977 [0,0,0,0,0,0|2,0,1]=3 9 B3R0.1 CCC[S-] 35319 [0,0,0,0,0,0|1,0,2]=3 10 B3R0.1 CCNC 10275 [0,0,0,0,0,0|1,0,2]=3 11 B3R0.1 CCNN 16833 [0,0,0,0,0,0|3,0,0]=3 12 B3R0.1 CCON 35706 [0,0,0,0,0,0|3,0,0]=3 13 B3R0.1 CC[Mg]Br 23799 [0,0,0,0,0,0|3,0,0]=3 14 B3R0.1 CNC=O 35283 [0,0,0,0,0,0|0,1,2]=3 15 B3R0.1 CNOC 25934 [0,0,0,0,0,0|2,0,1]=3 16 B3R0.1 COCBr 23167 [0,0,0,0,0,0|2,0,1]=3 17 B3R0.1 CSSC 9665 [0,0,0,0,0,0|3,0,0]=3 18 B3R0.1 N#CCBr 12656 [0,0,0,0,0,0|3,0,1]=4 19 B3R0.1 N#CCI 12543 [0,0,0,0,0,0|3,0,1]=4 20 B3R0.1 NCCBr 32344 [0,0,0,0,0,0|3,0,1]=4 21 B3R0.1 NCCF 19132 [0,0,0,0,0,0|3,0,1]=4 22 B3R0.1 NCCO 24767 [0,0,0,0,0,0|2,1,1]=4 23 B3R0.1 NNC=O 32333 [0,0,0,0,0,0|1,1,2]=4 24 B3R0.1 SCCS 12844 [0,0,0,0,0,0|2,0,2]=4 25 B2R0.1 CCI 21355 [1,0,0,0,0,0|1,0,1]=3 26 B2R0.1 CCN 45201 [1,0,0,0,0,0|1,0,1]=3 27 B2R0.1 CC[O-] 26132 [1,0,0,0,0,0|0,1,1]=3 28 B2R0.1 CNC 18186 [1,0,0,0,0,0|0,0,2]=3 29 B2R0.1 CSC 14218 [1,0,0,0,0,0|1,0,1]=3 30 B2R0.1 CSC 36251 [1,0,0,0,0,0|1,0,1]=3 31 B2R0.1 C[Mg]Br 20745 [1,0,0,0,0,0|2,0,0]=3 32 B2R0.1 ClCBr 2209 [1,0,0,0,0,0|2,0,1]=4 33 B2R0.1 Cl[Co]Cl 25246 [1,0,0,0,0,0|3,0,0]=4 34 B2R0.1 FCBr 2382 [1,0,0,0,0,0|2,0,1]=4 35 B2R0.1 FCCl 35673 [1,0,0,0,0,0|2,0,1]=4 36 B2R0.1 N#CBr 12515 [1,0,0,0,0,0|1,0,2]=4 37 B2R0.1 N#C[Cu] 24249 [1,0,0,0,0,0|1,0,2]=4 38 B2R0.1 N#C[O-] 23312 [1,0,0,0,0,0|0,1,2]=4 39 B2R0.1 O=[PH2][O-] 12707 [1,0,0,0,0,0|1,2,0]=4 40 B4R0.1 C#CC(C)=O 2024 [0,1,0,0,0,0|2,0,1]=4 41 B4R0.1 C#C[C@@H](C)O 20211 [0,1,0,0,0,0|2,0,1]=4 42 B4R0.1 C=C(C)CCl 20429 [0,1,0,0,0,0|2,0,1]=4 43 B4R0.1 CC(=O)CBr 24199 [0,1,0,0,0,0|2,0,1]=4 44 B4R0.1 CC(C)=CBr 29713 [0,1,0,0,0,0|2,0,1]=4 45 B4R0.1 CC(C)CI 3951 [0,1,0,0,0,0|2,0,1]=4 46 B4R0.1 CC(C)NN 26972 [0,1,0,0,0,0|3,0,0]=4 47 B4R0.1 CC(O)CBr 12555 [0,1,0,0,0,0|2,0,1]=4 48 B4R0.1 CC=C(C)C 2026 [0,1,0,0,0,0|2,0,1]=4 49 B4R0.1 CCB(O)O 7960 [0,1,0,0,0,0|2,1,0]=4 50 B4R0.1 CCC(C)Br 3753 [0,1,0,0,0,0|2,0,1]=4 51 B4R0.1 CCC(C)I 3940 [0,1,0,0,0,0|2,0,1]=4 52 B4R0.1 CCC(C)O 6718 [0,1,0,0,0,0|1,1,1]=4 53 B4R0.1 CCC([NH-])=O 10938 [0,1,0,0,0,0|1,1,1]=4 54 B4R0.1 CCN(C)C 10322 [0,1,0,0,0,0|1,0,2]=4 55 B4R0.1 CCS(=O)[O-] 24643 [0,1,0,0,0,0|2,1,0]=4 56 B4R0.1 CC[C@@H](C)N 6741 [0,1,0,0,0,0|2,0,1]=4 57 B4R0.1 CC[C@@H](C)O 6717 [0,1,0,0,0,0|1,1,1]=4 58 B4R0.1 CC[C@H](C)N 6743 [0,1,0,0,0,0|2,0,1]=4 59 B4R0.1 CN(C)C=O 23341 [0,1,0,0,0,0|0,1,2]=4 60 B4R0.1 CNC(C)C 10279 [0,1,0,0,0,0|1,0,2]=4 61 B4R0.1 CNC(N)=S 35584 [0,1,0,0,0,0|0,0,2]=3 62 B4R0.1 COC(C)=N 2122 [0,1,0,0,0,0|2,0,1]=4 63 B4R0.1 COC(Cl)Cl 2376 [0,1,0,0,0,0|2,0,1]=4 64 B4R0.1 CSC(=N)N 20041 [0,1,0,0,0,0|2,0,1]=4 65 B4R0.1 C[C@@H](Cl)CO 8287 [0,1,0,0,0,0|1,1,1]=4 66 B4R0.1 C[C@@H](N)CN 29215 [0,1,0,0,0,0|2,0,1]=4 67 B4R0.1 C[C@@H](N)CO 9884 [0,1,0,0,0,0|1,1,1]=4 68 B4R0.1 C[C@@H](O)CBr 23955 [0,1,0,0,0,0|2,0,1]=4 69 B4R0.1 C[C@@H](O)CCl 14071 [0,1,0,0,0,0|2,0,1]=4 70 B4R0.1 C[C@@H](O)CI 23956 [0,1,0,0,0,0|2,0,1]=4 71 B4R0.1 C[C@@H](O)CN 5721 [0,1,0,0,0,0|2,0,1]=4 72 B4R0.1 C[C@@H](O)CO 5857 [0,1,0,0,0,0|1,1,1]=4 73 B4R0.1 C[C@H](Cl)CO 8285 [0,1,0,0,0,0|1,1,1]=4 74 B4R0.1 C[C@H](N)CN 15232 [0,1,0,0,0,0|2,0,1]=4 75 B4R0.1 C[C@H](N)CO 5710 [0,1,0,0,0,0|1,1,1]=4 76 B4R0.1 C[C@H](O)CBr 20478 [0,1,0,0,0,0|2,0,1]=4 77 B4R0.1 C[C@H](O)CCl 14072 [0,1,0,0,0,0|2,0,1]=4 78 B4R0.1 C[C@H](O)CN 5720 [0,1,0,0,0,0|2,0,1]=4 79 B4R0.1 C[C@H](O)CO 5853 [0,1,0,0,0,0|1,1,1]=4 80 B4R0.1 C\C(N)=N\O 31948 [0,1,0,0,0,0|2,0,1]=4 81 B4R0.1 C\C=C(/C)Br 29073 [0,1,0,0,0,0|2,0,1]=4 82 B4R0.1 NNC(N)=S 13594 [0,1,0,0,0,0|1,0,2]=4 83 B4R0.1 ON=C(Br)Br 18640 [0,1,0,0,0,0|2,0,1]=4 84 B4R0.1 [C-]#[N+]C(C)C 29396 [0,1,0,0,0,0|3,0,0]=4 85 B4R0.2 C#CCCO 13071 [0,1,0,0,0,0|2,0,1]=4 86 B4R0.2 C#CCOC 35042 [0,1,0,0,0,0|2,0,1]=4 87 B4R0.2 C#COCC 12592 [0,1,0,0,0,0|2,0,1]=4 88 B4R0.2 C=CCCN 10268 [0,1,0,0,0,0|2,0,1]=4 89 B4R0.2 C=CCCN 36002 [0,1,0,0,0,0|2,0,1]=4 90 B4R0.2 C=CCCO 18909 [0,1,0,0,0,0|2,0,1]=4 91 B4R0.2 C=COCC 18645 [0,1,0,0,0,0|2,0,1]=4 92 B4R0.2 CC#CCO 13061 [0,1,0,0,0,0|1,1,1]=4 93 B4R0.2 CCCCBr 3752 [0,1,0,0,0,0|2,0,1]=4 94 B4R0.2 CCCCI 3939 [0,1,0,0,0,0|2,0,1]=4 95 B4R0.2 CCN=C=O 18636 [0,1,0,0,0,0|0,1,0]=2 96 B4R0.2 CCNCC 14036 [0,1,0,0,0,0|1,0,2]=4 97 B4R0.2 CCNCC 17237 [0,1,0,0,0,0|1,0,2]=4 98 B4R0.2 CCOCCl 18683 [0,1,0,0,0,0|2,0,1]=4 99 B4R0.2 CC[B+]CC 26091 [0,1,0,0,0,0|2,0,1]=4 100 B4R0.2 CNCC#N 35842 [0,1,0,0,0,0|1,0,2]=4 101 B4R0.2 CNCCCl 35179 [0,1,0,0,0,0|1,0,2]=4 102 B4R0.2 CNCCN 4020 [0,1,0,0,0,0|1,0,2]=4 103 B4R0.2 COCC#N 28756 [0,1,0,0,0,0|2,0,1]=4 104 B4R0.2 COCCBr 2138 [0,1,0,0,0,0|2,0,1]=4 105 B4R0.2 COCCCl 1911 [0,1,0,0,0,0|2,0,1]=4 106 B4R0.2 COCCO 35138 [0,1,0,0,0,0|1,1,1]=4 107 B4R0.2 CSCCCl 35891 [0,1,0,0,0,0|2,0,1]=4 108 B4R0.2 CSCCN 19131 [0,1,0,0,0,0|2,0,1]=4 109 B4R0.2 CSCCO 10846 [0,1,0,0,0,0|1,1,1]=4 110 B4R0.2 C\C=C\CC 19602 [0,1,0,0,0,0|2,0,1]=4 111 B4R0.2 C\C=C\CO 21075 [0,1,0,0,0,0|1,1,1]=4 112 B4R0.2 ICCCI 3858 [0,1,0,0,0,0|2,0,1]=4 113 B4R0.2 N#CCCBr 25994 [0,1,0,0,0,0|2,0,1]=4 114 B4R0.2 N#CCCN 19134 [0,1,0,0,0,0|2,0,1]=4 115 B4R0.2 N#CCCO 22156 [0,1,0,0,0,0|2,0,1]=4 116 B4R0.2 NCCCBr 18801 [0,1,0,0,0,0|2,0,1]=4 117 B4R0.2 NCCCN 10839 [0,1,0,0,0,0|2,0,1]=4 118 B4R0.2 NNCCO 45109 [0,1,0,0,0,0|3,0,0]=4 119 B4R1.1 C1CNC1 22634 [0,0,0,1,0,0|1,0,2]=4 120 B4R1.2 BrC1CC1 14417 [0,0,0,1,0,0|2,0,1]=4 121 B4R1.2 CC1=CC1 18904 [0,0,0,1,0,0|2,0,1]=4 122 B4R1.2 C[C@@H]1CO1 5829 [0,0,0,1,0,0|1,1,1]=4 123 B4R1.2 C[C@H]1CO1 5828 [0,0,0,1,0,0|1,1,1]=4 124 B4R1.2 OC1CC1 34599 [0,0,0,1,0,0|1,1,1]=4 125 B1R0.1 CF 29083 [2,0,0,0,0,0|1,0,0]=3 126 B1R0.1 CN 29301 [2,0,0,0,0,0|0,0,1]=3 127 B1R0.1 C[S-] 7072 [2,0,0,0,0,0|0,0,1]=3 128 B1R0.1 ClI 21352 [2,0,0,0,0,0|2,0,0]=4 129 B1R0.1 NN 17422 [2,0,0,0,0,0|1,0,1]=4 130 B1R0.1 NN 21005 [2,0,0,0,0,0|1,0,1]=4 131 B1R0.1 NN 26395 [2,0,0,0,0,0|1,0,1]=4 132 B1R0.1 NO 23590 [2,0,0,0,0,0|0,1,1]=4 133 B1R0.1 [C-]#[O+] 35949 [2,0,0,0,0,0|0,1,1]=4 134 B3R0.2 C=C(C)Br 27228 [1,1,0,0,0,0|1,0,1]=4 135 B3R0.2 CB(O)O 6018 [1,1,0,0,0,0|1,1,0]=4 136 B3R0.2 CC(=O)Cl 17265 [1,1,0,0,0,0|0,1,1]=4 137 B3R0.2 CC(=O)O 22173 [1,1,0,0,0,0|0,1,1]=4 138 B3R0.2 CC(=O)[O-] 10966 [1,1,0,0,0,0|0,1,1]=4 139 B3R0.2 CC(=O)[O-] 18178 [1,1,0,0,0,0|0,1,1]=4 140 B3R0.2 CC(=O)[O-] 26340 [1,1,0,0,0,0|0,1,1]=4 141 B3R0.2 CC(=O)[O-] 3997 [1,1,0,0,0,0|0,1,1]=4 142 B3R0.2 CC(C)Br 18655 [1,1,0,0,0,0|1,0,1]=4 143 B3R0.2 CC(C)I 21400 [1,1,0,0,0,0|1,0,1]=4 144 B3R0.2 CC(F)F 21302 [1,1,0,0,0,0|1,0,1]=4 145 B3R0.2 CC(O)=S 28961 [1,1,0,0,0,0|0,0,1]=3 146 B3R0.2 CC([O-])=S 25455 [1,1,0,0,0,0|0,0,1]=3 147 B3R0.2 CN(C)C 18299 [1,1,0,0,0,0|0,0,2]=4 148 B3R0.2 CP(C)C 20413 [1,1,0,0,0,0|0,1,1]=4 149 B3R0.2 CS(=O)[O-] 28957 [1,1,0,0,0,0|1,1,0]=4 150 B3R0.2 CS(C)=O 44865 [1,1,0,0,0,0|1,0,1]=4 151 B3R0.2 C[PH](C)=O 29395 [1,1,0,0,0,0|0,1,1]=4 152 B3R0.2 C[S+](C)C 44700 [1,1,0,0,0,0|1,0,1]=4 153 B3R0.2 N=C(N)N 21372 [1,1,0,0,0,0|1,0,1]=4 154 B3R0.2 N=C(N)N 36005 [1,1,0,0,0,0|1,0,1]=4 155 B5R0.1 CC(C)N=C=S 16501 [0,2,0,0,0,0|0,0,0]=2 156 B5R0.1 CCOC(=S)[S-] 36079 [0,2,0,0,0,0|1,0,1]=4 157 B5R0.1 CCSC(C)=S 12459 [0,2,0,0,0,0|1,0,1]=4 158 B5R0.3 CNC(=S)NN 10768 [0,2,0,0,0,0|0,0,2]=4 159 B5R0.3 CSC(=S)NN 35538 [0,2,0,0,0,0|1,0,1]=4 160 B5R0.5 CN(C)C(=S)Cl 35206 [0,2,0,0,0,0|0,0,2]=4 161 B5R1.1 C1=NCCO1 24989 [0,1,0,1,0,0|0,1,1]=4 162 B5R1.1 C1=NCCO1 8622 [0,1,0,1,0,0|0,1,1]=4