0 B5R0.1 C=CCC(C)O 2302-1-00 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 CC(C)=CCBr 1300-9-X0 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 CC(C)=CCCl 1300-5-X0 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 CC(C)CCI 1100-H-X4 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.1 CC(C)CCN 3130-1-X4 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 CC(C)CCO 2101-1-53 [0,0,0,0,0,0|1,1,1]=3 6 B5R0.1 CC(C)CNN 3139-5-X0 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.1 CC(C)N=C=S 7168-1-X2 [0,0,0,0,0,0|0,0,0]=0 8 B5R0.1 CC(N)CCO 4156-1-4D [0,0,0,0,0,0|2,1,1]=4 9 B5R0.1 CCCC(C)C 1100-1-04 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.1 CCCC(C)O 2102-1-52 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 CN(C)CC#N 3137-1-03 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 CN(C)CCN 3132-1-X2 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.1 C[C@@H](N)CCO 4156-1-RB [0,0,0,0,0,0|2,1,1]=4 14 B5R0.1 C[C@@H](O)CCO 2101-1-X0 [0,0,0,0,0,0|2,1,1]=4 15 B4R0.1 C#CC(C)O 2502-1-01 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.1 C#C[C@@H](C)O 2502-1-R1 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.1 C=CC(C)C 1300-1-26 [1,0,0,0,0,0|1,0,1]=3 18 B4R0.1 C=CC(C)Cl 1300-5-41 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 CC(C)C#N 3137-1-Y4 [1,0,0,0,0,0|1,0,1]=3 20 B4R0.1 CC(C)C=O 2115-1-13 [1,0,0,0,0,0|0,1,1]=3 21 B4R0.1 CC(C)NN 3139-5-X2 [1,0,0,0,0,0|1,0,1]=3 22 B4R0.1 CC(C)[Mg]Cl 9112-5-04 [1,0,0,0,0,0|2,0,0]=3 23 B4R0.1 CC(F)CO 2101-3-64 [1,0,0,0,0,0|1,1,1]=4 24 B4R0.1 CC(N)CO 4156-1-92 [1,0,0,0,0,0|1,1,1]=4 25 B4R0.1 CC(O)CF 2102-3-12 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 CC(O)CO 2104-1-12 [1,0,0,0,0,0|1,1,1]=4 27 B4R0.1 CCC(C)Cl 1100-5-25 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 CCC(C)F 1100-3-47 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 CCC(C)I 1100-H-X6 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 CC[C@@H](C)O 2101-1-R1 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 CN(C)C=O 4148-1-03 [1,0,0,0,0,0|1,1,1]=4 32 B4R0.1 C[C@@H](N)CO 4156-1-R3 [1,0,0,0,0,0|1,1,1]=4 33 B4R0.1 C[C@@H](O)CN 4156-1-R2 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.1 C[C@@H](O)CO 2104-1-R3 [1,0,0,0,0,0|1,1,1]=4 35 B4R0.1 C[C@H](O)CN 4156-1-S2 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 C[C@H](O)CO 2104-1-S3 [1,0,0,0,0,0|1,1,1]=4 37 B4R0.1 C\C(N)=N\O 4147-1-X0 [1,0,0,0,0,0|1,1,1]=4 38 B4R0.1 [C@@H](C)(N)CC 3130-1-S1 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.1 [C@@H](C)(N)CO 4156-1-Y5 [1,0,0,0,0,0|1,1,1]=4 40 B4R0.1 [C@H](C)(N)CC 3130-1-R1 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.2 C#CCCC 1500-1-X1 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.2 C#COCC 2507-1-01 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.2 C=CCCC 1300-1-09 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.2 CCCC#N 3137-1-Y3 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.2 CCCCBr 1100-9-15 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.2 CCCCF 1100-3-32 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.2 CCNCC 3133-5-06 [1,0,0,0,0,0|1,0,2]=4 48 B4R0.2 CCOCC 6160-3-09 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.2 CCOCCl 2107-5-01 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.2 C\C=C\CC 1300-1-05 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.1 CCC(C)N=C=S 7168-1-02 [0,1,0,0,0,0|0,0,0]=1 52 B6R0.1 CCCC(C)CCl 1100-5-0A [0,1,0,0,0,0|2,0,1]=4 53 B6R0.2 CC(=O)CC(C)C 2118-1-02 [0,1,0,0,0,0|1,1,1]=4 54 B6R0.2 CC(C)CB(O)O 6160-1-X3 [0,1,0,0,0,0|2,1,0]=4 55 B6R0.2 CC(C)CC(N)=O 4148-1-Y7 [0,1,0,0,0,0|1,1,1]=4 56 B6R0.2 CC(C)NC(C)C 3135-5-00 [0,1,0,0,0,0|1,0,2]=4 57 B6R0.2 CC(C)NC(C)C 4133-5-01 [0,1,0,0,0,0|1,0,2]=4 58 B6R0.2 CC(C)NC(N)=S 7167-1-18 [0,1,0,0,0,0|0,0,2]=3 59 B6R0.2 CC(C)OP(Cl)Cl 6174-5-00 [0,1,0,0,0,0|3,0,0]=4 60 B6R0.2 CN(C)CC(N)=S 7167-5-01 [0,1,0,0,0,0|2,0,1]=4 61 B6R0.3 CC(C)C(=N)NO 4156-1-Z3 [0,1,0,0,0,0|2,1,0]=4 62 B6R0.3 CC(C)C(N)CO 4156-1-88 [0,1,0,0,0,0|1,1,1]=4 63 B6R0.3 CC(C)[C@@H](N)CO 4156-1-R5 [0,1,0,0,0,0|1,1,1]=4 64 B6R0.3 CC(C)[C@H](N)CO 4156-1-S5 [0,1,0,0,0,0|1,1,1]=4 65 B6R0.3 CCC(=O)C(C)C 2117-1-18 [0,1,0,0,0,0|2,0,1]=4 66 B6R0.4 CC(C)CN=C=S 7168-1-X1 [0,1,0,0,0,0|0,0,0]=1 67 B6R0.4 CC(C)OCCO 2107-1-0H [0,1,0,0,0,0|1,1,1]=4 68 B6R0.5 CC(C)(C)N=C=S 7168-1-03 [0,1,0,0,0,0|0,0,0]=1 69 B6R0.5 CC(C)(C)ON=O 4145-1-X1 [0,1,0,0,0,0|2,1,0]=4 70 B6R1.2 CC1CCCC1 1200-1-07 [0,0,0,1,0,0|2,0,1]=4 71 B6R1.2 CC1CCCO1 2H10-1-01 [0,0,0,1,0,0|2,0,1]=4 72 B6R1.2 CC1CCNC1 3H31-5-95 [0,0,0,1,0,0|2,0,1]=4 73 B6R1.2 C[C@@H]1CCCN1 3H31-5-3F [0,0,0,1,0,0|1,0,2]=4 74 B6R1.2 C[C@H]1CCCN1 3H31-5-S6 [0,0,0,1,0,0|1,0,2]=4 75 B6R1.2 C[C@H]1CCNC1 3H31-5-S5 [0,0,0,1,0,0|2,0,1]=4 76 B6R1.3 NCCC1CC1 3230-5-07 [0,0,0,1,0,0|2,0,1]=4 77 B6R1.3 OCCC1CC1 2201-1-11 [0,0,0,1,0,0|1,1,1]=4 78 B6R1.3 S=C=NC1CC1 7268-1-X0 [0,0,0,1,0,0|0,0,0]=1 79 B6R1.10 CC1(C)CNC1 3H31-5-96 [0,0,0,1,0,0|3,0,0]=4 80 B3R0.1 C#CCC 1500-1-05 [2,0,0,0,0,0|1,0,1]=4 81 B3R0.1 C=CCC 1300-1-25 [2,0,0,0,0,0|1,0,1]=4 82 B3R0.1 CCC=O 2115-1-05 [2,0,0,0,0,0|0,1,1]=4 83 B3R0.1 CCCBr 1100-9-37 [2,0,0,0,0,0|1,0,1]=4 84 B3R0.1 CCCC 1100-1-X0 [2,0,0,0,0,0|1,0,1]=4 85 B3R0.1 CCCCl 1100-5-01 [2,0,0,0,0,0|1,0,1]=4 86 B3R0.1 CCCI 1100-H-X9 [2,0,0,0,0,0|1,0,1]=4 87 B3R0.1 CCNN 3139-5-05 [2,0,0,0,0,0|1,0,1]=4 88 B3R0.2 C=C(C)C 1300-1-06 [2,0,0,0,0,0|0,0,2]=4 89 B3R0.2 CC(C)Br 1100-9-02 [2,0,0,0,0,0|1,0,0]=3 90 B3R0.2 CC(C)C 1100-1-19 [2,0,0,0,0,0|0,0,1]=3 91 B3R0.2 CC(C)I 1100-H-03 [2,0,0,0,0,0|1,0,0]=3 92 B3R0.2 CC(C)N 3130-5-X1 [2,0,0,0,0,0|0,0,1]=3 93 B3R0.2 CC(Cl)Cl 1100-5-12 [2,0,0,0,0,0|2,0,0]=4 94 B3R0.2 CC(F)Br 1100-B-20 [2,0,0,0,0,0|2,0,0]=4 95 B3R0.2 CC(F)Cl 1100-7-04SM [2,0,0,0,0,0|2,0,0]=4 96 B3R0.2 CC(F)F 1100-3-05 [2,0,0,0,0,0|2,0,0]=4 97 B3R0.2 CC(N)=S 7167-1-X0 [2,0,0,0,0,0|1,0,1]=4 98 B3R0.2 CN(C)C 3132-1-05 [2,0,0,0,0,0|1,0,1]=4 99 B3R0.2 CN(C)C 8132-1-X0 [2,0,0,0,0,0|1,0,1]=4 100 B3R0.2 C[S+](C)C 5171-H-01 [2,0,0,0,0,0|1,0,1]=4 101 B5R0.3 CCC(C)C=O 2115-1-0C [1,1,0,0,0,0|0,1,1]=4 102 B5R0.3 CCC(C)CN 3130-1-X5 [1,1,0,0,0,0|1,0,1]=4 103 B5R0.4 C#CC(C)(C)C 1500-1-00 [1,1,0,0,0,0|1,0,1]=4 104 B5R0.4 C#CC(C)(C)N 3530-1-01 [1,1,0,0,0,0|1,0,1]=4 105 B5R0.4 CC(C)(C)C#N 3137-1-Y1 [1,1,0,0,0,0|1,0,1]=4 106 B5R0.4 CC(C)(C)C=O 2115-1-X3 [1,1,0,0,0,0|0,1,1]=4 107 B5R0.4 CC(C)(C)CCl 1100-5-20 [1,1,0,0,0,0|1,0,1]=4 108 B5R0.4 CC(C)(C)CO 2101-1-08 [1,1,0,0,0,0|0,1,1]=4 109 B5R0.4 CC(C)(C)NN 3139-5-01 [1,1,0,0,0,0|1,0,1]=4 110 B5R0.4 CC(C)(C)NO 4147-5-X0 [1,1,0,0,0,0|0,1,1]=4 111 B5R0.4 CC(C)(Cl)CCl 1100-5-18 [1,1,0,0,0,0|1,0,1]=4 112 B5R0.4 CC(C)(F)CO 2101-3-97 [1,1,0,0,0,0|0,1,1]=4 113 B5R0.4 CC(C)(N)C#N 3137-5-02 [1,1,0,0,0,0|1,0,1]=4 114 B5R0.4 CC(C)(N)CO 4156-1-X8 [1,1,0,0,0,0|0,1,1]=4 115 B5R0.4 CC(C)(O)CN 4156-1-05 [1,1,0,0,0,0|1,0,1]=4 116 B5R0.4 CC(C)(O)CO 2104-1-09 [1,1,0,0,0,0|0,1,1]=4 117 B5R0.4 CCC(C)(C)C 1100-1-32 [1,1,0,0,0,0|1,0,1]=4 118 B5R0.4 CNC(C)(C)C 3131-1-X1 [1,1,0,0,0,0|0,0,2]=4 119 B5R0.5 C=C(C)C(C)C 1300-1-24 [1,1,0,0,0,0|1,0,1]=4 120 B5R0.5 CC(=O)C(C)C 2117-1-13 [1,1,0,0,0,0|0,1,1]=4 121 B5R0.5 CC(C)B(O)O 6160-1-X0 [1,1,0,0,0,0|1,1,0]=4 122 B5R0.5 CC(C)C(=N)N 3141-5-X0 [1,1,0,0,0,0|1,0,1]=4 123 B5R0.5 CC(C)C(=O)Cl 2116-5-05 [1,1,0,0,0,0|0,1,1]=4 124 B5R0.5 CN(C)C(=S)Cl P911-A-76 [1,1,0,0,0,0|1,0,1]=4 125 B5R0.5 CN(C)C(=S)[S-] 5167-1-01 [1,1,0,0,0,0|1,0,1]=4 126 B5R0.2 C#CCN=C=S 7568-1-02 [1,1,0,0,0,0|0,0,1]=3 127 B5R0.2 C=CCN=C=S 7368-1-01 [1,1,0,0,0,0|0,0,1]=3 128 B5R0.2 CCCN=C=S 7168-1-26 [1,1,0,0,0,0|0,0,0]=2 129 B5R0.2 COCN=C=S 8168-1-17 [1,1,0,0,0,0|0,0,0]=2 130 B5R0.2 O=C=NCCCl 4149-5-X0 [1,1,0,0,0,0|0,1,0]=3 131 B5R0.2 S=C=NCCBr 7168-9-01 [1,1,0,0,0,0|0,0,0]=2 132 B5R0.2 S=C=NCCCl 7168-5-01 [1,1,0,0,0,0|0,0,0]=2 133 B7R0.2 CC(C)NC(=S)NN 7167-1-17 [0,2,0,0,0,0|0,0,2]=4 134 B7R0.3 CCC(C)CN=C=S 7168-1-12 [0,2,0,0,0,0|0,0,0]=2 135 B7R0.3 COC(=O)CN=C=S 8168-1-19 [0,2,0,0,0,0|1,0,1]=4 136 B7R0.3 S=C=NCC(Br)CBr 7168-9-03 [0,2,0,0,0,0|1,0,0]=3 137 B7R0.5 CC(C)C(C)N=C=S 7168-1-14 [0,2,0,0,0,0|0,0,0]=2 138 B7R0.7 CCCC(C)N=C=S 7168-1-23 [0,2,0,0,0,0|0,0,0]=2 139 B7R0.7 CCOC(=O)N=C=S 8168-1-X1 [0,2,0,0,0,0|1,0,1]=4 140 B7R0.7 C\C=C\C(=O)N=C=S 8368-1-01 [0,2,0,0,0,0|1,0,1]=4 141 B7R0.12 CCC(CC)N=C=S 7168-1-24 [0,2,0,0,0,0|0,0,0]=2 142 B7R0.9 CC(C)(C)NC(N)=S 7167-1-04 [0,2,0,0,0,0|0,0,2]=4 143 B7R0.4 CC(C)CCN=C=S 7168-1-13 [0,2,0,0,0,0|0,0,0]=2 144 B5R1.3 BrCC1CC1 1200-9-X0 [1,0,0,1,0,0|1,0,1]=4 145 B5R1.3 C#CC1CC1 1500-1-04 [1,0,0,1,0,0|1,0,1]=4 146 B5R1.3 CNC1CC1 3231-5-04 [1,0,0,1,0,0|0,0,2]=4 147 B5R1.3 ClCC1CC1 1200-5-01 [1,0,0,1,0,0|1,0,1]=4 148 B5R1.3 ICC1CC1 1200-H-04 [1,0,0,1,0,0|1,0,1]=4 149 B5R1.3 N#CC1CC1 3237-1-Y6 [1,0,0,1,0,0|1,0,1]=4 150 B5R1.3 NCC1CC1 P911-A-36 [1,0,0,1,0,0|1,0,1]=4 151 B5R1.3 O=CC1CC1 2215-1-X2 [1,0,0,1,0,0|0,1,1]=4 152 B5R1.3 OCC1CC1 2301-1-X2 [1,0,0,1,0,0|0,1,1]=4 153 B5R1.5 CC1(C)CO1 2109-1-03 [1,0,0,1,0,0|0,1,1]=4