0 B5R0.1 C=CCC(C)N 3230-5-0A [0,0,0,0,0,0|2,0,0]=2 1 B4R0.1 CC(N)C#N 3137-1-0B [1,0,0,0,0,0|2,0,1]=4 2 B4R0.1 CC(N)CF 3130-7-09 [1,0,0,0,0,0|2,0,0]=3 3 B4R0.1 C\C(Br)=C/F 1300-B-E0 [1,0,0,0,0,0|2,0,1]=4 4 B4R0.2 C=CCNC 3331-1-01 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.1 C=CC[C@@H](N)CO 4356-5-R0 [0,1,0,0,0,0|2,0,0]=3 6 B6R0.1 C=CC[C@H](N)CO 4356-5-S0 [0,1,0,0,0,0|2,0,0]=3 7 B6R0.1 CCC(C)CNC 3131-5-05 [0,1,0,0,0,0|2,0,0]=3 8 B6R0.2 CC(=O)OC(C)Cl 2123-5-21 [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|2,0,1]=4 10 B6R0.2 C[C@H](N)CN(C)C 3132-5-S0 [0,1,0,0,0,0|2,0,1]=4 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|0,0,2]=3 14 B6R0.4 CN(C)CCCBr 3132-9-02 [0,1,0,0,0,0|2,0,1]=4 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|0,0,2]=3 17 B6R0.5 CC(C)(O)CCN 4130-1-X2 [0,1,0,0,0,0|1,0,1]=3 18 B6R1.2 C[C@H]1CCCN1 3H31-1-S2 [0,0,0,1,0,0|2,0,1]=4 19 B6R1.2 I[C@H]1CCOC1 2H10-H-S1 [0,0,0,1,0,0|1,0,2]=4 20 B6R1.2 OC1CNOC1 4H02-5-0F [0,0,0,1,0,0|2,0,1]=4 21 B6R1.3 BrCCC1CC1 1200-9-18 [0,0,0,1,0,0|1,0,1]=3 22 B6R1.3 NOCC1CC1 4247-5-00 [0,0,0,1,0,0|2,0,0]=3 23 B6R1.5 C=C1CC(N)C1 3330-5-00 [0,0,0,1,0,0|2,0,0]=3 24 B6R1.5 CN1CC(=O)C1 4H17-5-2E [0,0,0,1,0,0|1,0,0]=2 25 B6R1.5 C[C@H]1C[C@@H](N)C1 3230-5-Z1 [0,0,0,1,0,0|1,0,1]=3 26 B6R1.5 NC1CC(F)C1 3230-7-04 [0,0,0,1,0,0|2,0,1]=4 27 B6R1.5 NN1CC(O)C1 4H56-5-NP [0,0,0,1,0,0|3,0,0]=4 28 B6R1.5 N[C@H]1C[C@@H](N)C1 3230-5-13 [0,0,0,1,0,0|2,0,1]=4 29 B6R1.5 O=C1CC(Br)C1 2217-9-03 [0,0,0,1,0,0|1,0,0]=2 30 B6R1.5 O=C1CC(F)C1 2217-3-0D [0,0,0,1,0,0|1,0,0]=2 31 B6R1.5 O=C1CC(O)C1 2220-1-00 [0,0,0,1,0,0|1,0,0]=2 32 B6R1.5 OC1CC(F)C1 2201-3-0D [0,0,0,1,0,0|1,0,2]=4 33 B6R1.5 OC1CC(O)C1 2204-1-0C [0,0,0,1,0,0|1,0,2]=4 34 B6R1.5 O[C@H]1C[C@H](F)C1 2202-3-E1 [0,0,0,1,0,0|1,0,2]=4 35 B6R1.10 CC1(F)CNC1 3H31-7-59 [0,0,0,1,0,0|3,0,0]=4 36 B6R1.10 CC1(N)CNC1 3H30-5-3Y [0,0,0,1,0,0|3,0,0]=4 37 B6R1.11 CC(O)C1CO1 2109-1-08 [0,0,0,1,0,0|1,0,2]=4 38 B3R0.1 C\C=C\F 1300-3-PX [2,0,0,0,0,0|1,0,1]=4 39 B5R0.3 C=CC(C)ON 4347-5-31 [1,1,0,0,0,0|1,0,1]=4 40 B5R0.3 CC(CO)CBr 2101-9-0B [1,1,0,0,0,0|0,0,1]=3 41 B5R0.3 CN[C@@H](C)CO 4156-5-S1 [1,1,0,0,0,0|0,0,1]=3 42 B5R0.3 NCC(Br)CBr 3130-9-00 [1,1,0,0,0,0|2,0,0]=4 43 B5R0.4 CC(C)(Br)C=O 2115-9-03 [1,1,0,0,0,0|0,0,0]=2 44 B5R0.4 CC(C)(F)CI 1100-K-75 [1,1,0,0,0,0|1,0,0]=3 45 B5R0.4 CC(C)(S)CN 7161-5-00 [1,1,0,0,0,0|1,0,0]=3 46 B5R0.5 CC(C)C(C)O 2102-1-03 [1,1,0,0,0,0|0,0,1]=3 47 B5R0.5 O=C(F)C(F)F 2116-3-03 [1,1,0,0,0,0|2,0,0]=4 48 B5R0.5 O=C([O-])C(F)F 2122-2-21 [1,1,0,0,0,0|2,0,0]=4 49 B5R0.2 C#CCCCN 3533-5-03 [1,1,0,0,0,0|1,0,1]=4 50 B5R0.2 CCO\C=C/Br 2307-9-01 [1,1,0,0,0,0|1,0,1]=4 51 B5R0.2 CNCCSC 7166-5-02 [1,1,0,0,0,0|2,0,0]=4 52 B5R0.2 FCCCCF 1100-3-44 [1,1,0,0,0,0|1,0,1]=4 53 B5R0.2 NCCCCCl 3130-5-07 [1,1,0,0,0,0|1,0,1]=4 54 B7R0.2 CC(C)CC(=O)CBr 2117-9-09 [0,2,0,0,0,0|0,0,0]=2 55 B7R0.2 CC(C)CC(N)C#N 3137-1-17 [0,2,0,0,0,0|1,0,1]=4 56 B7R0.2 CC(C)NC(=O)CBr 4148-9-0A [0,2,0,0,0,0|1,0,0]=3 57 B7R0.2 CC(CCl)CC(=O)Cl 2116-5-20 [0,2,0,0,0,0|0,0,0]=2 58 B7R0.2 O=C(O)CC(=O)CCl 2129-5-0F [0,2,0,0,0,0|1,0,1]=4 59 B7R0.3 C#CCOC(C)CO 2507-1-00 [0,2,0,0,0,0|1,0,1]=4 60 B7R0.5 CCCC(C)C(C)=O 2117-1-0J [0,2,0,0,0,0|1,0,1]=4 61 B7R0.11 C=CCC(C)(C)C#N 3337-1-09 [0,2,0,0,0,0|1,0,0]=3 62 B7R0.11 CCCC(C)(C)C#N 3137-1-0M [0,2,0,0,0,0|1,0,1]=4 63 B7R0.11 COCC(C)(C)CO 2107-1-0E [0,2,0,0,0,0|2,0,0]=4 64 B7R0.12 [C-]#[N+]CC(OC)OC 4137-1-0X [0,2,0,0,0,0|2,0,0]=4 65 B7R0.9 CS(=O)(=O)CC(N)=O 8163-1-00 [0,2,0,0,0,0|2,0,0]=4 66 B7R0.9 NC(=O)CC(F)(F)F 4148-3-0F [0,2,0,0,0,0|2,0,0]=4 67 B7R0.16 C=C(C)[C@@H](N)C(=O)O 4357-5-R0 [0,2,0,0,0,0|0,0,2]=4 68 B7R0.16 CC(C)C(F)C(=O)O 2121-3-0K [0,2,0,0,0,0|0,0,0]=2 69 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 4157-1-44 [0,2,0,0,0,0|1,0,0]=3 70 B7R0.14 C[C@@H](CO)C(C)(C)O 2103-1-S2 [0,2,0,0,0,0|0,0,2]=4 71 B7R0.14 O=CC(F)C(F)(F)F 2115-3-23 [0,2,0,0,0,0|2,0,0]=4 72 B5R1.2 CC1CCN1 3H31-5-4U [1,0,0,1,0,0|1,0,1]=4 73 B5R1.2 IC1CCC1 1200-H-02 [1,0,0,1,0,0|1,0,1]=4 74 B5R1.2 SC1COC1 6H61-1-01 [1,0,0,1,0,0|1,0,1]=4 75 B5R1.3 C=C[C@H]1CO1 2109-1-S0 [1,0,0,1,0,0|1,0,1]=4 76 B5R1.3 ICC1CO1 2109-H-01 [1,0,0,1,0,0|2,0,0]=4 77 B7R1.1 CN[C@@H]1CCNC1 3H31-5-RK [0,1,0,1,0,0|1,0,1]=4 78 B7R1.1 NC[C@@H]1CCOC1 4H56-1-S15 [0,1,0,1,0,0|0,0,2]=4 79 B7R1.1 NC[C@H]1CCOC1 4H56-1-R07 [0,1,0,1,0,0|0,0,2]=4 80 B7R1.1 NC[C@H]1CCOC1 4H56-5-RC [0,1,0,1,0,0|0,0,2]=4 81 B7R1.1 OC[C@@H]1CCOC1 2H10-1-S0 [0,1,0,1,0,0|0,0,2]=4 82 B7R1.2 CC1CNC(=S)N1 7H67-1-34 [0,1,0,1,0,0|1,1,0]=4 83 B7R1.2 CC1COC(=O)N1 4H56-1-0P2 [0,1,0,1,0,0|1,0,0]=3 84 B7R1.2 NC1CNC(=O)C1 4H48-1-6A [0,1,0,1,0,0|1,0,0]=3 85 B7R1.2 N[C@@H]1CNC(=O)C1 4H48-5-S0 [0,1,0,1,0,0|1,0,0]=3 86 B7R1.3 CN1CC=CCC1 3H33-5-1E [0,1,0,1,0,0|2,0,0]=4 87 B7R1.3 C[C@@H]1CNCCO1 4H56-1-R10 [0,1,0,1,0,0|1,0,1]=4 88 B7R1.3 C[C@H]1CNCCO1 4H44-5-75 [0,1,0,1,0,0|1,0,1]=4 89 B7R1.6 C=CCC1CNC1 4H22-3-12 [0,1,0,1,0,0|1,0,0]=3 90 B7R1.6 CNCC1COC1 4H56-1-181 [0,1,0,1,0,0|2,0,0]=4 91 B7R1.6 COC[C@@H]1CCN1 4H56-1-S0H [0,1,0,1,0,0|2,0,0]=4 92 B7R1.6 COC[C@H]1CCN1 4H56-1-R02 [0,1,0,1,0,0|2,0,0]=4 93 B7R1.6 N#CCC1CNC1 3H37-5-0V [0,1,0,1,0,0|1,0,1]=4 94 B7R1.6 NCCC1CCC1 3230-1-0B [0,1,0,1,0,0|1,0,1]=4 95 B7R1.10 CN1CC(CN)C1 3H30-1-DT [0,1,0,1,0,0|2,0,0]=4 96 B7R1.10 CN1CC(CO)C1 4H01-1-6U [0,1,0,1,0,0|2,0,0]=4 97 B7R1.10 CN[C@H]1C[C@@H](O)C1 4256-5-39 [0,1,0,1,0,0|0,0,2]=4 98 B7R1.10 COC1CC(=O)C1 2217-1-0B [0,1,0,1,0,0|0,0,0]=2 99 B7R1.10 COC1CC(N)C1 4256-5-06 [0,1,0,1,0,0|1,0,1]=4 100 B7R1.10 CO[C@H]1C[C@@H](Br)C1 2207-9-Z0 [0,1,0,1,0,0|1,0,1]=4 101 B7R1.10 CO[C@H]1C[C@H](N)C1 4256-5-22 [0,1,0,1,0,0|1,0,1]=4 102 B7R1.10 NC1CC(CO)C1 4256-5-47 [0,1,0,1,0,0|1,0,1]=4 103 B7R1.10 NCC1CC(F)C1 3230-7-0D [0,1,0,1,0,0|1,0,1]=4 104 B7R1.10 NC[C@H]1C[C@H](F)C1 3230-7-02 [0,1,0,1,0,0|1,0,1]=4 105 B7R1.10 N[C@H]1C[C@H](CO)C1 4256-5-42 [0,1,0,1,0,0|1,0,1]=4 106 B7R1.10 O=C1CC(CCl)C1 2217-5-07 [0,1,0,1,0,0|0,0,0]=2 107 B7R1.10 OCC1CC(F)C1 2201-3-0E [0,1,0,1,0,0|1,0,1]=4 108 B7R1.22 NC(CO)C1CC1 4256-5-54 [0,1,0,1,0,0|0,0,2]=4 109 B7R1.22 N[C@@H](CO)C1CC1 4256-5-R2 [0,1,0,1,0,0|0,0,2]=4 110 B7R1.22 N[C@H](CO)C1CC1 4256-5-S2 [0,1,0,1,0,0|0,0,2]=4 111 B7R1.25 CC1(CO)CNC1 4H01-5-0U [0,1,0,1,0,0|2,0,0]=4 112 B7R1.25 CNC1(C)COC1 4H56-1-785 [0,1,0,1,0,0|2,0,0]=4 113 B7R1.12 CC(C)C1ON1C 4H56-1-03P [0,1,0,1,0,0|1,0,1]=4 114 B7R1.12 CC1CC1C(N)=O 4248-1-12 [0,1,0,1,0,0|0,0,0]=2 115 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 2221-1-31 [0,1,0,1,0,0|0,0,0]=2 116 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 2221-1-12 [0,1,0,1,0,0|0,0,0]=2 117 B7R1.16 CC1(C)CC(=O)C1 2217-1-0K [0,1,0,1,0,0|0,0,0]=2 118 B7R1.16 CC1(C)CC(N)C1 3230-5-0E [0,1,0,1,0,0|1,0,1]=4 119 B7R1.16 CC1(C)CC(O)C1 2202-1-0F [0,1,0,1,0,0|0,0,2]=4 120 B7R1.16 CC1(F)CC(N)C1 3230-7-0E [0,1,0,1,0,0|1,0,1]=4 121 B7R1.16 CC1(N)CC(=O)C1 4256-5-0F [0,1,0,1,0,0|0,0,0]=2 122 B7R1.16 CC1(N)CC(F)C1 3230-7-0G [0,1,0,1,0,0|1,0,1]=4 123 B7R1.16 C[C@]1(N)C[C@@H](O)C1 4256-5-38 [0,1,0,1,0,0|0,0,2]=4 124 B7R1.16 C[C@]1(N)C[C@H](O)C1 4256-5-18 [0,1,0,1,0,0|0,0,2]=4 125 B7R1.16 C[C@]1(O)C[C@@H](N)C1 4256-5-19 [0,1,0,1,0,0|1,0,1]=4 126 B7R1.16 C[C@]1(O)C[C@H](N)C1 4256-5-20 [0,1,0,1,0,0|1,0,1]=4 127 B7R1.20 NC(=S)CC1CC1 7267-1-05 [0,1,0,1,0,0|0,1,0]=3 128 B7R1.17 CC1(C)CCC1=O 2217-1-0L [0,1,0,1,0,0|0,0,0]=2 129 B7R1.17 CC1(C)CCC1O 2202-1-0E [0,1,0,1,0,0|0,0,2]=4 130 B7R1.14 CC1(N)CCCC1 3230-5-22 [0,1,0,1,0,0|1,0,1]=4 131 B7R2.11 C1NC2CC1C2 3H31-5-0M [0,0,0,2,0,0|1,0,1]=4 132 B7R2.16 C1CC12CNC2 3H31-5-9G [0,0,0,2,0,0|2,0,0]=4 133 B7R2.16 C1CC12CNC2 4H22-1-60 [0,0,0,2,0,0|2,0,0]=4 134 B7R2.5 NC12CC(C1)C2 3230-H-00 [0,0,0,2,0,0|1,0,1]=4