0 B5R0.1 C=CCC(C)N 3230-5-0A [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 NCCC(N)=O 4148-5-0C [0,0,0,0,0,0|3,0,1]=4 2 B4R0.1 CC(N)C#N 3137-1-0B [1,0,0,0,0,0|2,0,1]=4 3 B4R0.1 CC(N)CF 3130-7-09 [1,0,0,0,0,0|2,0,0]=3 4 B4R0.1 CNC(C)=S 7167-1-41 [1,0,0,0,0,0|2,0,1]=4 5 B4R0.2 C=CCNC 3331-1-01 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.1 C=CC[C@@H](N)CO 4356-5-R0 [0,1,0,0,0,0|2,0,1]=4 7 B6R0.1 C=CC[C@H](N)CO 4356-5-S0 [0,1,0,0,0,0|2,0,1]=4 8 B6R0.1 CCC(C)CNC 3131-5-05 [0,1,0,0,0,0|2,0,0]=3 9 B6R0.2 C[C@@H](N)CN(C)C 3132-5-R0 [0,1,0,0,0,0|2,0,0]=3 10 B6R0.2 C[C@H](N)CN(C)C 3132-5-S0 [0,1,0,0,0,0|2,0,0]=3 11 B6R0.3 CNC(C)C(C)C 3131-1-0B [0,1,0,0,0,0|2,0,0]=3 12 B6R0.4 C=CCCC(C)Br 1300-9-21 [0,1,0,0,0,0|2,0,0]=3 13 B6R0.4 CC(C)CCON 4147-5-07 [0,1,0,0,0,0|0,0,0]=1 14 B6R0.4 CN(C)CCCBr 3132-9-02 [0,1,0,0,0,0|2,0,0]=3 15 B6R0.5 CC(C)(C)CON 4147-5-02 [0,1,0,0,0,0|2,0,0]=3 16 B6R0.5 CC(C)(N)CCO 4156-5-18 [0,1,0,0,0,0|0,0,0]=1 17 B6R0.5 CC(C)(O)CCN 4130-1-X2 [0,1,0,0,0,0|1,0,0]=2 18 B6R0.5 OCCC(F)(F)F 2101-3-11S [0,1,0,0,0,0|2,0,0]=3 19 B6R1.2 C[C@H]1CCCN1 3H31-1-S2 [0,0,0,1,0,0|2,0,0]=3 20 B6R1.2 I[C@H]1CCOC1 2H10-H-S1 [0,0,0,1,0,0|1,0,0]=2 21 B6R1.2 OC1CNOC1 4H02-5-0F [0,0,0,1,0,0|2,0,0]=3 22 B6R1.3 BrCCC1CC1 1200-9-18 [0,0,0,1,0,0|1,0,0]=2 23 B6R1.3 NOCC1CC1 4247-5-00 [0,0,0,1,0,0|2,0,0]=3 24 B6R1.5 C=C1CC(N)C1 3330-5-00 [0,0,0,1,0,0|1,0,2]=4 25 B6R1.5 CN1CC(=O)C1 4H17-5-2E [0,0,0,1,0,0|1,0,2]=4 26 B6R1.5 C[C@H]1C[C@@H](N)C1 3230-5-Z1 [0,0,0,1,0,0|1,0,0]=2 27 B6R1.5 NC1CC(F)C1 3230-7-04 [0,0,0,1,0,0|2,0,0]=3 28 B6R1.5 NN1CC(O)C1 4H56-5-NP [0,0,0,1,0,0|2,0,0]=3 29 B6R1.5 N[C@H]1C[C@@H](N)C1 3230-5-13 [0,0,0,1,0,0|2,0,0]=3 30 B6R1.5 O=C1CC(Br)C1 2217-9-03 [0,0,0,1,0,0|1,0,2]=4 31 B6R1.5 O=C1CC(F)C1 2217-3-0D [0,0,0,1,0,0|1,0,2]=4 32 B6R1.5 O=C1CC(O)C1 2220-1-00 [0,0,0,1,0,0|1,0,1]=3 33 B6R1.5 OC1CC(F)C1 2201-3-0D [0,0,0,1,0,0|1,0,0]=2 34 B6R1.5 OC1CC(O)C1 2204-1-0C [0,0,0,1,0,0|1,0,0]=2 35 B6R1.5 O[C@H]1C[C@H](F)C1 2202-3-E1 [0,0,0,1,0,0|1,0,0]=2 36 B6R1.10 CC1(F)CNC1 3H31-7-59 [0,0,0,1,0,0|3,0,0]=4 37 B6R1.10 CC1(N)CNC1 3H30-5-3Y [0,0,0,1,0,0|3,0,0]=4 38 B6R1.11 CC(O)C1CO1 2109-1-08 [0,0,0,1,0,0|1,0,0]=2 39 B5R0.3 CC(CO)CBr 2101-9-0B [1,1,0,0,0,0|0,0,0]=2 40 B5R0.3 CN[C@@H](C)CO 4156-5-S1 [1,1,0,0,0,0|0,0,0]=2 41 B5R0.3 NCC(Br)CBr 3130-9-00 [1,1,0,0,0,0|2,0,0]=4 42 B5R0.4 CC(C)(Br)C=O 2115-9-03 [1,1,0,0,0,0|0,0,2]=4 43 B5R0.4 CC(C)(F)CI 1100-K-75 [1,1,0,0,0,0|1,0,0]=3 44 B5R0.4 CC(C)(S)CN 7161-5-00 [1,1,0,0,0,0|1,0,0]=3 45 B5R0.5 CC(C)C(C)O 2102-1-03 [1,1,0,0,0,0|0,0,0]=2 46 B5R0.2 C#CCCCN 3533-5-03 [1,1,0,0,0,0|1,0,1]=4 47 B5R0.2 CC#CCCBr 1500-9-01 [1,1,0,0,0,0|1,0,1]=4 48 B5R0.2 CNCCSC 7166-5-02 [1,1,0,0,0,0|1,1,0]=4 49 B5R0.2 FCCCCF 1100-3-44 [1,1,0,0,0,0|1,0,0]=3 50 B5R0.2 NCCCCCl 3130-5-07 [1,1,0,0,0,0|1,0,0]=3 51 B7R0.2 CC(C)CC(=O)CBr 2117-9-09 [0,2,0,0,0,0|1,0,0]=3 52 B7R0.2 CC(C)CC(N)C#N 3137-1-17 [0,2,0,0,0,0|1,0,0]=3 53 B7R0.2 CC(C)NC(=O)CBr 4148-9-0A [0,2,0,0,0,0|1,0,1]=4 54 B7R0.2 CC(CCl)CC(=O)Cl 2116-5-20 [0,2,0,0,0,0|0,0,2]=4 55 B7R0.3 C#CCOC(C)CO 2507-1-00 [0,2,0,0,0,0|1,0,1]=4 56 B7R0.5 CC(CCCl)C(=O)Cl 2116-5-21 [0,2,0,0,0,0|1,0,1]=4 57 B7R0.5 CCCC(C)C(C)=O 2117-1-0J [0,2,0,0,0,0|1,0,0]=3 58 B7R0.10 COC(=O)[C@H](C)CO 2129-1-RC [0,2,0,0,0,0|1,0,1]=4 59 B7R0.10 OC(CCl)C(O)CCl 2104-5-01 [0,2,0,0,0,0|2,0,0]=4 60 B7R0.11 C=CCC(C)(C)C#N 3337-1-09 [0,2,0,0,0,0|1,0,1]=4 61 B7R0.11 CCCC(C)(C)C#N 3137-1-0M [0,2,0,0,0,0|1,0,0]=3 62 B7R0.11 COCC(C)(C)CO 2107-1-0E [0,2,0,0,0,0|2,0,0]=4 63 B7R0.12 [C-]#[N+]CC(OC)OC 4137-1-0X [0,2,0,0,0,0|2,0,0]=4 64 B7R0.16 CC(C)C(F)C(=O)O 2121-3-0K [0,2,0,0,0,0|0,0,1]=3 65 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 4157-1-44 [0,2,0,0,0,0|1,0,1]=4 66 B7R0.14 C[C@@H](CO)C(C)(C)O 2103-1-S2 [0,2,0,0,0,0|0,0,0]=2 67 B5R1.2 CC1CCN1 3H31-5-4U [1,0,0,1,0,0|1,0,0]=3 68 B5R1.2 IC1CCC1 1200-H-02 [1,0,0,1,0,0|1,0,0]=3 69 B5R1.2 SC1COC1 6H61-1-01 [1,0,0,1,0,0|1,0,0]=3 70 B5R1.3 ICC1CO1 2109-H-01 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.1 BrC[C@H]1CCCO1 2H10-9-R1 [0,1,0,1,0,0|2,0,0]=4 72 B7R1.1 CN[C@@H]1CCNC1 3H31-5-RK [0,1,0,1,0,0|1,0,0]=3 73 B7R1.1 FC[C@@H]1CCCN1 3H31-7-58 [0,1,0,1,0,0|2,0,0]=4 74 B7R1.1 N#C[C@@H]1CCOC1 3H37-1-S0 [0,1,0,1,0,0|0,0,1]=3 75 B7R1.1 NC[C@@H]1CCOC1 4H56-1-S15 [0,1,0,1,0,0|0,0,0]=2 76 B7R1.1 NC[C@H]1CCCN1 3H30-1-2R [0,1,0,1,0,0|2,0,0]=4 77 B7R1.1 NC[C@H]1CCOC1 4H56-1-R07 [0,1,0,1,0,0|0,0,0]=2 78 B7R1.1 NC[C@H]1CCOC1 4H56-5-RC [0,1,0,1,0,0|0,0,0]=2 79 B7R1.1 OC[C@@H]1CCOC1 2H10-1-S0 [0,1,0,1,0,0|0,0,0]=2 80 B7R1.2 CC1CCC(C)N1 3H31-5-0R [0,1,0,1,0,0|2,0,0]=4 81 B7R1.2 CC1COC(=O)N1 4H56-1-0P2 [0,1,0,1,0,0|1,0,1]=4 82 B7R1.2 CN1CC[C@@H](N)C1 3H30-1-R1 [0,1,0,1,0,0|2,0,0]=4 83 B7R1.2 CN1CC[C@H](N)C1 3H30-1-S0 [0,1,0,1,0,0|2,0,0]=4 84 B7R1.2 N[C@@H]1CC[C@H](O)C1 4256-5-40 [0,1,0,1,0,0|1,0,0]=3 85 B7R1.2 N[C@H]1CC[C@@H](O)C1 4256-5-44 [0,1,0,1,0,0|1,0,0]=3 86 B7R1.2 N[C@H]1CC[C@H](O)C1 4256-5-45 [0,1,0,1,0,0|1,0,0]=3 87 B7R1.2 O[C@H]1CC[C@@H](O)C1 2204-1-0D [0,1,0,1,0,0|1,0,0]=3 88 B7R1.3 CN1CC=CCC1 3H33-5-1E [0,1,0,1,0,0|2,0,0]=4 89 B7R1.3 C[C@@H]1CNCCO1 4H56-1-R10 [0,1,0,1,0,0|1,0,0]=3 90 B7R1.3 C[C@H]1CNCCO1 4H44-5-75 [0,1,0,1,0,0|1,0,0]=3 91 B7R1.3 F[C@@H]1CCCNC1 3H31-7-R0 [0,1,0,1,0,0|2,0,0]=4 92 B7R1.3 F[C@H]1CCCNC1 3H31-7-S0 [0,1,0,1,0,0|2,0,0]=4 93 B7R1.3 OC1CCCNC1 4H56-1-909 [0,1,0,1,0,0|2,0,0]=4 94 B7R1.4 N[C@@H]1CCC[C@@H]1O 4256-5-30 [0,1,0,1,0,0|2,0,0]=4 95 B7R1.4 N[C@@H]1CNC[C@H]1F 3H33-7-15 [0,1,0,1,0,0|2,0,0]=4 96 B7R1.4 N[C@@H]1COC[C@@H]1O 4H56-5-8A [0,1,0,1,0,0|1,0,0]=3 97 B7R1.4 N[C@@H]1COC[C@H]1O 4H56-5-8E [0,1,0,1,0,0|1,0,0]=3 98 B7R1.4 O=C1OCC[C@@H]1O 2H29-1-S0 [0,1,0,1,0,0|1,0,1]=4 99 B7R1.4 O[C@@H]1CNC[C@H]1O 4H56-1-820 [0,1,0,1,0,0|2,0,0]=4 100 B7R1.4 O[C@H]1COC[C@@H]1O 2H04-1-S1 [0,1,0,1,0,0|1,0,0]=3 101 B7R1.6 C=CCC1CNC1 4H22-3-12 [0,1,0,1,0,0|1,0,1]=4 102 B7R1.6 CCOC1CNC1 4H56-5-DR [0,1,0,1,0,0|2,0,0]=4 103 B7R1.6 CNCC1COC1 4H56-1-181 [0,1,0,1,0,0|2,0,0]=4 104 B7R1.6 COC[C@@H]1CCN1 4H56-1-S0H [0,1,0,1,0,0|2,0,0]=4 105 B7R1.6 COC[C@H]1CCN1 4H56-1-R02 [0,1,0,1,0,0|2,0,0]=4 106 B7R1.6 N#CCC1CNC1 3H37-5-0V [0,1,0,1,0,0|1,0,1]=4 107 B7R1.6 NCCC1CCC1 3230-1-0B [0,1,0,1,0,0|1,0,0]=3 108 B7R1.6 OCCN1CCC1 4H01-1-8D [0,1,0,1,0,0|1,0,0]=3 109 B7R1.8 O=C1CCC1CO 2220-1-06 [0,1,0,1,0,0|1,0,1]=4 110 B7R1.10 CCN1CC(O)C1 4H56-5-2U [0,1,0,1,0,0|1,0,0]=3 111 B7R1.10 CN1CC(CN)C1 3H30-1-DT [0,1,0,1,0,0|2,0,0]=4 112 B7R1.10 CN1CC(CO)C1 4H01-1-6U [0,1,0,1,0,0|1,0,0]=3 113 B7R1.10 CN[C@H]1C[C@@H](O)C1 4256-5-39 [0,1,0,1,0,0|0,0,0]=2 114 B7R1.10 COC1CC(=O)C1 2217-1-0B [0,1,0,1,0,0|0,0,2]=4 115 B7R1.10 COC1CC(N)C1 4256-5-06 [0,1,0,1,0,0|1,0,0]=3 116 B7R1.10 CO[C@H]1C[C@@H](Br)C1 2207-9-Z0 [0,1,0,1,0,0|1,0,0]=3 117 B7R1.10 CO[C@H]1C[C@H](N)C1 4256-5-22 [0,1,0,1,0,0|1,0,0]=3 118 B7R1.10 N#CC1CC(F)C1 3237-3-05 [0,1,0,1,0,0|1,0,1]=4 119 B7R1.10 N#CC1CC(N)C1 3237-5-00 [0,1,0,1,0,0|1,0,1]=4 120 B7R1.10 N#CC1CC(O)C1 4237-1-0C [0,1,0,1,0,0|0,0,1]=3 121 B7R1.10 N#C[C@H]1C[C@@H](N)C1 3237-5-E0 [0,1,0,1,0,0|1,0,1]=4 122 B7R1.10 N#C[C@H]1C[C@@H](O)C1 4237-1-Z0 [0,1,0,1,0,0|0,0,1]=3 123 B7R1.10 N#C[C@H]1C[C@H](O)C1 4237-1-E0 [0,1,0,1,0,0|0,0,1]=3 124 B7R1.10 NC1CC(CO)C1 4256-5-47 [0,1,0,1,0,0|1,0,0]=3 125 B7R1.10 NCC1CC(F)C1 3230-7-0D [0,1,0,1,0,0|1,0,0]=3 126 B7R1.10 NC[C@H]1C[C@H](F)C1 3230-7-02 [0,1,0,1,0,0|1,0,0]=3 127 B7R1.10 N[C@H]1C[C@H](CO)C1 4256-5-42 [0,1,0,1,0,0|1,0,0]=3 128 B7R1.10 O=C1CC(CCl)C1 2217-5-07 [0,1,0,1,0,0|0,0,2]=4 129 B7R1.10 OCC1CC(F)C1 2201-3-0E [0,1,0,1,0,0|1,0,0]=3 130 B7R1.22 NC(CO)C1CC1 4256-5-54 [0,1,0,1,0,0|0,0,0]=2 131 B7R1.22 N[C@@H](CO)C1CC1 4256-5-R2 [0,1,0,1,0,0|0,0,0]=2 132 B7R1.22 N[C@H](CO)C1CC1 4256-5-S2 [0,1,0,1,0,0|0,0,0]=2 133 B7R1.25 CC1(CO)CNC1 4H01-5-0U [0,1,0,1,0,0|2,0,0]=4 134 B7R1.25 CNC1(C)COC1 4H56-1-785 [0,1,0,1,0,0|2,0,0]=4 135 B7R1.25 NCC1(F)CCC1 3230-7-0F [0,1,0,1,0,0|2,0,0]=4 136 B7R1.25 OCC1(O)CCC1 2204-1-15 [0,1,0,1,0,0|2,0,0]=4 137 B7R1.12 CC(C)C1ON1C 4H56-1-03P [0,1,0,1,0,0|1,0,0]=3 138 B7R1.12 CC1CC1C(N)=O 4248-1-12 [0,1,0,1,0,0|0,0,2]=4 139 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 2221-1-31 [0,1,0,1,0,0|0,0,1]=3 140 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 2221-1-12 [0,1,0,1,0,0|0,0,1]=3 141 B7R1.16 CC1(C)CC(=O)C1 2217-1-0K [0,1,0,1,0,0|0,0,2]=4 142 B7R1.16 CC1(C)CC(N)C1 3230-5-0E [0,1,0,1,0,0|1,0,0]=3 143 B7R1.16 CC1(C)CC(O)C1 2202-1-0F [0,1,0,1,0,0|0,0,0]=2 144 B7R1.16 CC1(F)CC(N)C1 3230-7-0E [0,1,0,1,0,0|1,0,0]=3 145 B7R1.16 CC1(N)CC(=O)C1 4256-5-0F [0,1,0,1,0,0|0,0,2]=4 146 B7R1.16 CC1(N)CC(F)C1 3230-7-0G [0,1,0,1,0,0|1,0,0]=3 147 B7R1.16 C[C@]1(N)C[C@@H](O)C1 4256-5-38 [0,1,0,1,0,0|0,0,0]=2 148 B7R1.16 C[C@]1(N)C[C@H](O)C1 4256-5-18 [0,1,0,1,0,0|0,0,0]=2 149 B7R1.16 C[C@]1(O)C[C@@H](N)C1 4256-5-19 [0,1,0,1,0,0|1,0,0]=3 150 B7R1.16 C[C@]1(O)C[C@H](N)C1 4256-5-20 [0,1,0,1,0,0|1,0,0]=3 151 B7R1.16 FC1(F)CC(Br)C1 1200-B-06 [0,1,0,1,0,0|2,0,0]=4 152 B7R1.16 OC1CC(F)(F)C1 2201-3-04 [0,1,0,1,0,0|1,0,0]=3 153 B7R1.20 NC(=S)CC1CC1 7267-1-05 [0,1,0,1,0,0|0,1,1]=4 154 B7R1.17 CC1(C)CCC1=O 2217-1-0L [0,1,0,1,0,0|0,0,1]=3 155 B7R1.17 CC1(C)CCC1O 2202-1-0E [0,1,0,1,0,0|0,0,0]=2 156 B7R1.18 CC(N)C1CCC1 3230-5-0B [0,1,0,1,0,0|2,0,0]=4 157 B7R1.18 CC(O)C1CNC1 4H02-5-0E [0,1,0,1,0,0|2,0,0]=4 158 B7R1.19 CC(N)C1(C)CC1 3231-5-0A [0,1,0,1,0,0|2,0,0]=4 159 B7R1.14 CC1(N)CCCC1 3230-5-22 [0,1,0,1,0,0|1,0,0]=3 160 B7R2.11 C1NC2CC1C2 3H31-5-0M [0,0,0,2,0,0|1,0,0]=3 161 B7R2.16 C1CC12CNC2 3H31-5-9G [0,0,0,2,0,0|2,0,0]=4 162 B7R2.16 C1CC12CNC2 4H22-1-60 [0,0,0,2,0,0|2,0,0]=4 163 B7R2.5 NC12CC(C1)C2 3230-H-00 [0,0,0,2,0,0|1,0,0]=3