0 B4R0.1 B(CC)(O)O AB08033 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 C#CC(=O)N MB03070 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 C(C(=N)N)Cl AB02229 [0,0,0,0,0,0|3,0,0]=3 3 B4R0.1 C(C(=N)N)O AB12726 [0,0,0,0,0,0|3,0,0]=3 4 B4R0.1 C(C(=N)N)O AB21804 [0,0,0,0,0,0|3,0,0]=3 5 B4R0.1 C=C(CBr)I MB13667 [0,0,0,0,0,0|3,0,0]=3 6 B4R0.1 C=C[N+](=O)[O-] CB10433 [0,0,0,0,0,0|2,0,2]=4 7 B4R0.1 CC(=N)NN AB09895 [0,0,0,0,0,0|3,0,0]=3 8 B4R0.1 CC(=O)C=O AB00820 [0,0,0,0,0,0|2,0,1]=3 9 B4R0.1 CC(=O)NN AB00888 [0,0,0,0,0,0|2,0,0]=2 10 B4R0.1 CC(=O)NO AB01014 [0,0,0,0,0,0|3,0,0]=3 11 B4R0.1 CCC(=N)N AB07703 [0,0,0,0,0,0|3,0,0]=3 12 B4R0.1 C\C(=N\O)\N AB06530 [0,0,0,0,0,0|4,0,0]=4 13 B4R0.1 C\C=C(/C)\Br AB00105 [0,0,0,0,0,0|3,0,1]=4 14 B3R0.1 C(=O)NN AB00881 [1,0,0,0,0,0|1,0,0]=2 15 B3R0.1 C(CCl)N AB03778 [1,0,0,0,0,0|1,0,1]=3 16 B3R0.1 C\C=C/I AB73504 [1,0,0,0,0,0|2,0,1]=4 17 B3R0.1 C\C=C\Br AB00109 [1,0,0,0,0,0|2,0,1]=4 18 B3R0.2 C[S+](C)C AB01061 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 B(CCC)(O)O AB08045 [0,1,0,0,0,0|2,0,1]=4 20 B5R0.1 C#CCC(=O)O AB11673 [0,1,0,0,0,0|1,0,0]=2 21 B5R0.1 C(CCl)C(=N)N AB30465 [0,1,0,0,0,0|3,0,0]=4 22 B5R0.1 C(CN)C(F)F AB65227 [0,1,0,0,0,0|2,0,1]=4 23 B5R0.1 C(CO)C(=N)N AB48909 [0,1,0,0,0,0|3,0,0]=4 24 B5R0.1 C(CO)[N+](=O)[O-] AB00877 [0,1,0,0,0,0|2,0,1]=4 25 B5R0.1 C=C(CCCl)I MB13669 [0,1,0,0,0,0|3,0,0]=4 26 B5R0.1 CC(=O)\C=N\O AB00206 [0,1,0,0,0,0|1,0,2]=4 27 B5R0.3 C=C(CO)CO PB20901 [0,1,0,0,0,0|2,0,0]=3 28 B5R0.3 CCC(=N)NN AB56212 [0,1,0,0,0,0|3,0,0]=4 29 B5R0.3 CCC(=O)C=O AB21438 [0,1,0,0,0,0|1,0,1]=3 30 B5R0.3 CCC(=O)NN PB26058 [0,1,0,0,0,0|2,0,0]=3 31 B5R0.3 COC(=O)CN AB01112 [0,1,0,0,0,0|0,0,0]=1 32 B5R0.3 CSC(=N)NN AB01522 [0,1,0,0,0,0|2,1,0]=4 33 B5R0.3 CS\C(=N/N)\N AB06574 [0,1,0,0,0,0|2,1,0]=4 34 B5R0.5 B(C(C)C)(O)O AB08847 [0,1,0,0,0,0|2,0,1]=4 35 B5R0.5 CC(C(=O)N)N AB43014 [0,1,0,0,0,0|1,0,0]=2 36 B5R0.5 CC(C)C(=N)N AB07702 [0,1,0,0,0,0|3,0,0]=4 37 B5R0.5 CC(C)C(=S)N AB32169 [0,1,0,0,0,0|2,1,0]=4 38 B5R0.5 C[C@@H](C(=O)O)Br AB03774 [0,1,0,0,0,0|1,0,0]=2 39 B5R0.5 C[C@@H](C(=O)O)N AB02601 [0,1,0,0,0,0|0,0,0]=1 40 B5R1.2 C1C(=O)CN1 PB32275 [0,0,0,1,0,0|1,0,0]=2 41 B5R1.2 C1C(=O)CO1 PB20352 [0,0,0,1,0,0|2,0,0]=3 42 B5R1.2 C1C(=O)CS1 PB29880 [0,0,0,1,0,0|2,0,0]=3 43 B5R1.2 C1C(CN1)N PB22346 [0,0,0,1,0,0|2,0,1]=4 44 B5R1.2 C1C(CN1)O PB18565 [0,0,0,1,0,0|1,0,1]=3 45 B5R1.2 C1C(CN1)S PB18372 [0,0,0,1,0,0|1,1,1]=4 46 B5R1.2 C1C(CO1)O PB25111 [0,0,0,1,0,0|2,0,1]=4 47 B5R1.2 CC1CNC1 PB16157 [0,0,0,1,0,0|2,0,1]=4 48 B2R0.1 C(=S)N AB42997 [2,0,0,0,0,0|0,1,0]=3 49 B4R0.2 C#CCCN AB55798 [1,1,0,0,0,0|1,0,1]=4 50 B4R0.2 C(=C\O)/C#N AB85343 [1,1,0,0,0,0|0,0,2]=4 51 B4R0.2 C(CN)CCl AB06220 [1,1,0,0,0,0|1,0,1]=4 52 B4R0.2 C=CCCBr AB00123 [1,1,0,0,0,0|2,0,0]=4 53 B4R0.2 C=CCCN AB14698 [1,1,0,0,0,0|1,0,0]=3 54 B4R0.2 C=CCCO AB00288 [1,1,0,0,0,0|1,0,1]=4 55 B6R0.1 CCNC(=O)C=C CB10170 [0,2,0,0,0,0|2,0,0]=4 56 B6R0.1 CCOC(=N)CCl AB60917 [0,2,0,0,0,0|2,0,0]=4 57 B6R0.1 CCOC(=N)CO AB60920 [0,2,0,0,0,0|2,0,0]=4 58 B6R0.1 CCOC(=O)C#N PB24520 [0,2,0,0,0,0|0,0,2]=4 59 B6R0.1 CNC(=O)CC#N AB03253 [0,2,0,0,0,0|1,0,1]=4 60 B6R0.1 COC(=N)CCCl AB61008 [0,2,0,0,0,0|2,0,0]=4 61 B6R0.1 COC(=O)CC#C AB11822 [0,2,0,0,0,0|1,0,0]=3 62 B6R0.1 COC(=O)\C=C\N AB31601 [0,2,0,0,0,0|0,0,1]=3 63 B6R0.2 CC(=O)NC(=N)N AB02893 [0,2,0,0,0,0|1,0,1]=4 64 B6R0.3 C([C@H](C(=O)O)N)S AB02703 [0,2,0,0,0,0|0,0,0]=2 65 B6R0.3 CC(C)C(=O)NN PB30560 [0,2,0,0,0,0|2,0,0]=4 66 B6R0.3 CC(CN)C(=O)O AB00933 [0,2,0,0,0,0|0,0,0]=2 67 B6R0.3 CCC(C(=O)O)N AB00928 [0,2,0,0,0,0|0,0,0]=2 68 B6R0.3 CCN(C)C(=O)Cl MB05193 [0,2,0,0,0,0|2,0,0]=4 69 B6R0.3 COC(=O)C(=N)N AB50977 [0,2,0,0,0,0|0,0,1]=3 70 B6R0.3 C[C@@H](C(=O)OC)N AB02553 [0,2,0,0,0,0|0,0,0]=2 71 B6R0.3 C[C@@H](CN)C(=O)O AB35706 [0,2,0,0,0,0|0,0,0]=2 72 B6R0.3 C[C@H](CN)C(=O)O AB08204 [0,2,0,0,0,0|0,0,0]=2 73 B6R0.4 C#CCCC(=O)O CB10019 [0,2,0,0,0,0|1,0,0]=3 74 B6R0.9 COC(CN)OC AB00930 [0,2,0,0,0,0|0,0,2]=4 75 B6R0.7 CC(C)(C(=O)N)Br MB05789 [0,2,0,0,0,0|2,0,0]=4 76 B6R0.7 CC(C)(C(=O)O)N AB00918 [0,2,0,0,0,0|0,0,0]=2 77 B6R0.7 C[C@@H](C(C)(C)O)N MB19778 [0,2,0,0,0,0|1,0,1]=4 78 B4R1.1 C1CNC1 PB33850 [1,0,0,1,0,0|1,0,1]=4 79 B6R1.2 C1C=NC(=N1)O AB52896 [0,1,0,1,0,0|2,0,0]=4 80 B6R1.2 C1CNCC1=O PB21807 [0,1,0,1,0,0|1,0,0]=3 81 B6R1.2 C1CNCC1O PB24775 [0,1,0,1,0,0|1,0,1]=4 82 B6R1.2 C1CNC[C@@H]1O PB17129 [0,1,0,1,0,0|1,0,1]=4 83 B6R1.2 C1CNC[C@@H]1O PB18456 [0,1,0,1,0,0|1,0,1]=4 84 B6R1.2 C1CNC[C@H]1O PB30638 [0,1,0,1,0,0|1,0,1]=4 85 B6R1.2 C1CNC[C@H]1O PB32171 [0,1,0,1,0,0|1,0,1]=4 86 B6R1.2 C1COCC1=O PB17440 [0,1,0,1,0,0|1,0,0]=3 87 B6R1.2 C1CONC1=O MB10654 [0,1,0,1,0,0|1,0,0]=3 88 B6R1.2 CC1=CCCO1 AB00300 [0,1,0,1,0,0|2,0,0]=4 89 B6R1.5 C1C(CC1=O)Br PB30412 [0,1,0,1,0,0|2,0,0]=4 90 B6R1.5 C1C(CC1=O)F PB36975 [0,1,0,1,0,0|2,0,0]=4 91 B6R1.5 C1C(CC1=O)N PB20766 [0,1,0,1,0,0|1,0,0]=3 92 B6R1.5 C1C(CC1O)N PB17577 [0,1,0,1,0,0|1,0,1]=4 93 B6R1.5 C1[C@@H](C[C@@H]1N)O PB10634 [0,1,0,1,0,0|1,0,1]=4 94 B6R1.5 C1[C@@H](C[C@@H]1N)O PB11282 [0,1,0,1,0,0|1,0,1]=4 95 B6R1.5 C1[C@@H](C[C@H]1N)O PB14636 [0,1,0,1,0,0|1,0,1]=4 96 B6R1.5 C1[C@@H](C[C@H]1N)O PB19576 [0,1,0,1,0,0|1,0,1]=4 97 B6R1.5 CN1CC(C1)O PB30133 [0,1,0,1,0,0|1,0,1]=4 98 B6R1.10 CC1(CNC1)O PB26628 [0,1,0,1,0,0|1,0,1]=4 99 B6R1.4 CC1C(CN1)O PB39176 [0,1,0,1,0,0|1,0,1]=4 100 B6R1.6 C1C(CN1)CO PB34326 [0,1,0,1,0,0|1,0,1]=4 101 B6R1.6 C1C(CO1)CN PB26850 [0,1,0,1,0,0|1,0,1]=4 102 B6R1.6 C1COC1CN PB12865 [0,1,0,1,0,0|1,0,1]=4 103 B6R1.6 COC1CNC1 PB27751 [0,1,0,1,0,0|1,0,1]=4 104 B6R1.7 C1CC1(CN)O AB21151 [0,1,0,1,0,0|1,0,1]=4