0 B9R0.47 C=CCCCC(N)C(=O)O 4357-1-05 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.47 C=CC[Se]C[C@H](N)C(=O)O 9134-5-00 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.47 CCCCOC(=O)C(N)=O 4148-1-0R [0,0,0,0,0,0|3,0,1]=4 3 B9R0.47 NCCCCC(N)C(=O)O 4157-1-0E [0,0,0,0,0,0|2,0,0]=2 4 B8R0.6 C#CC(O)CCCCC 2502-1-03 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.6 C#C[C@@H](O)CCCCC 2502-1-S0 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.6 C=CC(O)CCCCC 2302-1-05 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.6 CCCCCC(O)CN 4156-1-96 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.6 CCCCCC(O)CO 2104-1-0K [1,0,0,0,0,0|1,0,1]=3 9 B8R0.6 CCCCCN(C)N=O 4152-1-05 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.6 CCCCC[C@H](O)CCl 2102-5-S1 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.7 C#CCCCCC(=O)O 2521-1-04 [1,0,0,0,0,0|0,0,2]=3 12 B8R0.7 C=C(Br)CCCCCC 1300-9-08 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.7 C=C(Br)CCCCCCl 1300-D-03 [1,0,0,0,0,0|3,0,0]=4 14 B8R0.7 C=C(C)CCCCCCl 1300-5-32 [1,0,0,0,0,0|3,0,0]=4 15 B8R0.7 C=C(Cl)CCCCCC 1300-5-26 [1,0,0,0,0,0|2,0,0]=3 16 B8R0.7 C=C(Cl)CCCCCCl 1300-5-35 [1,0,0,0,0,0|3,0,0]=4 17 B8R0.7 C=CCCCCC(=O)O 2321-1-0N [1,0,0,0,0,0|0,0,2]=3 18 B8R0.7 C=CCOCCC(=O)O 2321-1-0Q [1,0,0,0,0,0|1,0,2]=4 19 B8R0.7 CC(=O)CCOCCBr 2117-9-00 [1,0,0,0,0,0|3,0,0]=4 20 B8R0.7 CC(=O)CCOCCCl 2117-5-0A [1,0,0,0,0,0|3,0,0]=4 21 B8R0.7 CC(=O)COCCCCl 2117-5-0D [1,0,0,0,0,0|3,0,0]=4 22 B8R0.7 CC(=O)COCCCF 2117-3-1G [1,0,0,0,0,0|3,0,0]=4 23 B8R0.7 CC(=O)OCCCCBr 2123-9-19 [1,0,0,0,0,0|3,0,0]=4 24 B8R0.7 CC(=O)OCCCCCl 2123-5-0W [1,0,0,0,0,0|3,0,0]=4 25 B8R0.7 CC(=O)OCCCCI 2123-H-02 [1,0,0,0,0,0|3,0,0]=4 26 B8R0.7 CCCCC#CC(=O)O 2521-1-0A [1,0,0,0,0,0|0,0,2]=3 27 B8R0.7 CCCCCC=C(F)F 1300-3-98 [1,0,0,0,0,0|2,0,1]=4 28 B8R0.7 CCCCCCB(O)O 6160-1-00 [1,0,0,0,0,0|1,0,1]=3 29 B8R0.7 CCCCCCC(C)=O 2117-1-X1 [1,0,0,0,0,0|1,0,0]=2 30 B8R0.7 CCCCCCC(C)I 1100-H-15 [1,0,0,0,0,0|2,0,1]=4 31 B8R0.7 CCCCCC[C@@H](C)N 3130-1-R2 [1,0,0,0,0,0|2,0,1]=4 32 B8R0.7 CCCCCC[C@@H](C)O 2102-1-R1 [1,0,0,0,0,0|1,0,1]=3 33 B8R0.7 CCCCCC[C@H](C)N 3130-1-S2 [1,0,0,0,0,0|2,0,1]=4 34 B8R0.7 CCCCCO[N+](=O)[O-] 4154-1-0B [1,0,0,0,0,0|2,0,1]=4 35 B8R0.7 CCCCOCC(=O)O 2121-1-52 [1,0,0,0,0,0|1,0,0]=2 36 B8R0.7 COCCOCC(=O)Cl 2116-5-12 [1,0,0,0,0,0|3,0,0]=4 37 B8R0.7 COCCOCC(=O)O 2121-1-33A [1,0,0,0,0,0|2,0,0]=3 38 B8R0.7 COCCOCC(=O)O 2121-1-33B [1,0,0,0,0,0|2,0,0]=3 39 B8R0.7 COCCOCC(=O)O 2121-1-33C [1,0,0,0,0,0|2,0,0]=3 40 B8R0.7 CSCCCOC(C)=O 6166-1-0K [1,0,0,0,0,0|3,0,0]=4 41 B8R0.7 NC(=O)CCCCCBr 4148-9-07 [1,0,0,0,0,0|2,0,0]=3 42 B8R0.7 NCCCCCC(=O)O 4157-1-0B [1,0,0,0,0,0|1,0,0]=2 43 B8R0.7 O=C(O)CCCCCCl 2121-5-06 [1,0,0,0,0,0|1,0,0]=2 44 B8R0.7 O=C(O)CCCCCO 2129-1-0D [1,0,0,0,0,0|1,0,0]=2 45 B8R0.8 C#CCC[C@@H](N)C(=O)O 4557-1-R1 [1,0,0,0,0,0|1,0,2]=4 46 B8R0.8 C#CCOC(C)C(=O)O 2521-1-11 [1,0,0,0,0,0|1,0,2]=4 47 B8R0.8 CC(=O)N(C)CCCN 4148-5-0E [1,0,0,0,0,0|3,0,0]=4 48 B8R0.8 CCCCC(Br)C(=O)O 2121-9-16 [1,0,0,0,0,0|1,0,0]=2 49 B8R0.8 CCCCC(C)C(=O)O 2121-1-0S [1,0,0,0,0,0|0,0,0]=1 50 B8R0.8 CCC\C=C(/C)C(=O)O 2321-1-0S [1,0,0,0,0,0|0,0,2]=3 51 B8R0.8 COCC[C@H](N)C(=O)O 4157-5-S8 [1,0,0,0,0,0|2,0,0]=3 52 B8R0.8 CSCCC(N)C(=O)O 8166-1-00 [1,0,0,0,0,0|2,0,0]=3 53 B8R0.8 NOCC[C@H](N)C(=O)O 4157-1-08 [1,0,0,0,0,0|3,0,0]=4 54 B8R0.8 [C@H](N)(CCSC)C(=O)O 8166-1-S5 [1,0,0,0,0,0|2,0,0]=3 55 B10R0.42 CC(C)(NCCC#N)C(=O)O 4157-1-53 [0,1,0,0,0,0|2,0,1]=4 56 B10R0.42 CCCCNC(C)(C)[PH](=O)O 8174-1-01 [0,1,0,0,0,0|2,0,0]=3 57 B10R0.75 CCCCCCC(Br)C(=O)Br 2116-9-10 [0,1,0,0,0,0|2,0,0]=3 58 B10R0.75 CCCCCCC(Br)C(=O)O 2121-9-17 [0,1,0,0,0,0|1,0,0]=2 59 B10R0.75 CCCCSC[C@H](N)C(=O)O 8166-1-R2 [0,1,0,0,0,0|1,0,0]=2 60 B10R0.75 O=C(O)C(=O)CCCCCBr 2129-9-02 [0,1,0,0,0,0|1,0,1]=3 61 B10R0.82 COC(=O)CC[C@H](N)C(=O)O 4157-1-S0 [0,1,0,0,0,0|2,0,1]=4 62 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O 4157-1-RE [0,1,0,0,0,0|2,0,1]=4 63 B10R1.23 C[C@H](C(=O)O)N1CCCC1 4H58-1-R19 [0,0,0,1,0,0|1,0,0]=2 64 B10R1.113 CC(=O)C1CCCN(C)C1 4H17-1-2S [0,0,0,1,0,0|2,0,0]=3 65 B10R1.113 CC(=O)C1CCCN(C)C1 4H17-5-0Z [0,0,0,1,0,0|2,0,0]=3 66 B10R1.113 CC1CCCC(C(=O)O)N1 4H21-5-44 [0,0,0,1,0,0|1,0,0]=2 67 B10R1.113 CC1COCC(C(=O)O)N1 4H21-5-43 [0,0,0,1,0,0|2,0,0]=3 68 B10R1.113 CN1CCCC(C(=O)O)C1 4H21-5-Z1 [0,0,0,1,0,0|1,0,0]=2 69 B10R1.113 CN1CCC[C@@H](C(=O)O)C1 4H21-1-R0 [0,0,0,1,0,0|1,0,0]=2 70 B10R1.113 CN1CCC[C@H](C(=O)O)C1 4H21-1-S0 [0,0,0,1,0,0|1,0,0]=2 71 B10R1.113 NC1CCCC(C(=O)O)C1 4257-1-X1 [0,0,0,1,0,0|1,0,0]=2 72 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 4257-5-0A [0,0,0,1,0,0|1,0,0]=2 73 B10R1.113 O=C(O)C1CCCC(O)C1 2229-1-0Z [0,0,0,1,0,0|1,0,0]=2 74 B10R1.113 O=C(O)C1CS(=O)CCN1 8H65-5-02 [0,0,0,1,0,0|3,0,0]=4 75 B10R1.113 O=C(O)[C@H]1C[C@@H](O)CCN1 4H29-5-0A [0,0,0,1,0,0|2,0,0]=3 76 B10R1.113 O=C1CC(C(=O)O)CCN1 4H58-1-C7 [0,0,0,1,0,0|2,0,1]=4 77 B10R1.176 CN1CCC(CN)CC1=O 4H48-1-BH [0,0,0,1,0,0|3,0,0]=4 78 B10R1.176 CN1CCC(CN)CC1=O 4H48-5-BB [0,0,0,1,0,0|3,0,0]=4 79 B10R1.204 N[C@H](CC1CCC1)C(=O)O 4257-1-RB [0,0,0,1,0,0|1,0,0]=2 80 B10R1.348 N=C(N)C1CCCCCC1 3241-5-04 [0,0,0,1,0,0|2,0,0]=3 81 B10R1.348 NC(=O)C1CCCCCC1 4248-1-0D [0,0,0,1,0,0|1,0,0]=2 82 B10R1.348 O=C(O)C1CCCNCC1 4H58-1-H9 [0,0,0,1,0,0|1,0,0]=2 83 B10R1.348 S=C(S)N1CCCCCC1 7H67-1-43 [0,0,0,1,0,0|1,2,0]=4 84 B10R1.363 CC(=O)C1(O)CCCCC1 2220-1-07 [0,0,0,1,0,0|2,0,0]=3 85 B10R1.363 CC1(C(=O)Cl)CCCCC1 2216-5-04 [0,0,0,1,0,0|1,0,0]=2 86 B10R1.363 CC1(C(=O)O)CCCCN1 4H58-5-6A [0,0,0,1,0,0|1,0,0]=2 87 B10R1.363 CC1(C(=O)O)CCCOC1 2H21-1-10 [0,0,0,1,0,0|1,0,0]=2 88 B10R1.363 CC1(C(=O)O)CCOCC1 2H21-1-11 [0,0,0,1,0,0|1,0,0]=2 89 B10R1.363 NC(=O)C1(O)CCNCC1 4H48-1-3E [0,0,0,1,0,0|3,0,0]=4 90 B10R1.363 NC1(C(=O)O)CCNCC1 4H57-1-1J [0,0,0,1,0,0|2,0,0]=3 91 B10R1.363 NC1(C(=O)O)CCOCC1 4H57-1-67 [0,0,0,1,0,0|2,0,0]=3 92 B10R1.363 NC1(C(=O)O)CCOCC1 4H57-5-0F [0,0,0,1,0,0|2,0,0]=3 93 B10R1.363 O=C(O)C1(F)CCCCC1 2221-3-X0 [0,0,0,1,0,0|1,0,0]=2 94 B10R1.363 O=C(O)C1(F)CCOCC1 2H21-3-22 [0,0,0,1,0,0|2,0,0]=3 95 B10R1.375 CCCCCC1CC1(Br)Br 1200-9-08 [0,0,0,1,0,0|2,0,1]=4 96 B10R1.407 CCCCC1C(C)C1(Br)Br 1200-9-11 [0,0,0,1,0,0|2,0,1]=4 97 B7R0.1 C=CCCCCCCl 1300-5-30 [2,0,0,0,0,0|2,0,0]=4 98 B7R0.1 C=CCCCCCO 2301-1-0C [2,0,0,0,0,0|2,0,0]=4 99 B7R0.1 C=CCOCCCC 2307-1-0A [2,0,0,0,0,0|2,0,0]=4 100 B7R0.1 CCCCCCC#N 3137-1-X1 [2,0,0,0,0,0|1,0,1]=4 101 B7R0.1 CCCCCCC=O 2115-1-10 [2,0,0,0,0,0|0,0,0]=2 102 B7R0.1 CCCCCCCBr 1100-9-07 [2,0,0,0,0,0|1,0,1]=4 103 B7R0.1 CCCCCCCCl 1100-5-42 [2,0,0,0,0,0|1,0,1]=4 104 B7R0.1 CCCCCCCI 1100-H-11 [2,0,0,0,0,0|1,0,1]=4 105 B7R0.1 CCCCCC[Mg]Cl 9112-5-00 [2,0,0,0,0,0|2,0,0]=4 106 B7R0.1 CCCC\C=C\C=O 2315-1-07 [2,0,0,0,0,0|0,0,2]=4 107 B7R0.1 CCNCCCCO 4156-1-3R [2,0,0,0,0,0|1,0,1]=4 108 B7R0.1 O=CCCCCCBr 2115-9-00 [2,0,0,0,0,0|1,0,0]=3 109 B7R0.1 O=CCCCCCCl 2115-5-X2 [2,0,0,0,0,0|1,0,0]=3 110 B7R0.1 [C-]#[N+]CCCCCC 3137-1-0G [2,0,0,0,0,0|2,0,0]=4 111 B7R0.3 CCCCC(C)CC 1100-1-00 [2,0,0,0,0,0|1,0,1]=4 112 B7R0.3 CCCCC(O)CO 2104-1-0D [2,0,0,0,0,0|1,0,1]=4 113 B7R0.3 CCCC[C@@H](N)CO 4156-1-73 [2,0,0,0,0,0|1,0,1]=4 114 B7R0.3 CCCC[C@H](N)CO 4156-1-71 [2,0,0,0,0,0|1,0,1]=4 115 B7R0.4 C=C(Br)CCCCC 1300-9-09 [2,0,0,0,0,0|1,0,1]=4 116 B7R0.4 C=C(C)CCCCC 1300-1-36 [2,0,0,0,0,0|0,0,1]=3 117 B7R0.4 C=C(Cl)CCCCC 1300-5-27 [2,0,0,0,0,0|1,0,1]=4 118 B7R0.4 C=CCCCC(=O)O 2321-1-0P [2,0,0,0,0,0|0,0,2]=4 119 B7R0.4 CC(=O)CCCCCl 2117-5-05 [2,0,0,0,0,0|1,0,1]=4 120 B7R0.4 CCCCCC(C)=O 2117-1-14 [2,0,0,0,0,0|0,0,1]=3 121 B7R0.4 CCCCCC(C)N 3130-1-X7 [2,0,0,0,0,0|1,0,0]=3 122 B7R0.4 CCCCCC(C)O 2102-1-05 [2,0,0,0,0,0|0,0,0]=2 123 B7R0.4 CCCCCC(N)=O 4148-1-1F [2,0,0,0,0,0|1,0,0]=3 124 B7R0.4 CCCCOC(=O)Cl 2116-5-31 [2,0,0,0,0,0|2,0,0]=4 125 B7R0.4 CCCCOC(N)=O 4156-1-2H [2,0,0,0,0,0|2,0,0]=4 126 B7R0.4 CCCCSC(C)=O 6166-1-0F [2,0,0,0,0,0|1,0,1]=4 127 B7R0.4 CCCOCC(=O)O 2121-1-0F [2,0,0,0,0,0|1,0,0]=3 128 B7R0.4 CCCOCC(C)F 2107-3-7Q [2,0,0,0,0,0|2,0,0]=4 129 B7R0.4 CCOCCC(=O)O 2121-1-0E [2,0,0,0,0,0|1,0,0]=3 130 B7R0.4 COCCCC(=O)O 2121-1-51 [2,0,0,0,0,0|1,0,0]=3 131 B7R0.4 C\C=C\CCC(=O)O 2321-1-X1 [2,0,0,0,0,0|0,0,2]=4 132 B7R0.4 N#CCCCC(=O)O 4137-1-0M [2,0,0,0,0,0|1,0,1]=4 133 B7R0.4 NCCCCC(=O)O 4157-1-22 [2,0,0,0,0,0|1,0,0]=3 134 B7R0.4 NOCCCC(=O)O 4147-9-01 [2,0,0,0,0,0|2,0,0]=4 135 B7R0.4 O=C(Cl)CCCCBr 2116-D-X0 [2,0,0,0,0,0|2,0,0]=4 136 B7R0.4 O=C(O)CCCCCl 2121-5-05 [2,0,0,0,0,0|1,0,0]=3 137 B7R0.4 O=C(O)COCCCl 2121-5-01 [2,0,0,0,0,0|2,0,0]=4 138 B7R0.4 O=C([O-])CCCCO 2129-1-1E [2,0,0,0,0,0|1,0,1]=4 139 B7R0.5 CCCC(Br)C(=O)O 2121-9-0C [2,0,0,0,0,0|1,0,0]=3 140 B7R0.5 CCCC(C)C(=O)O 2121-1-0R [2,0,0,0,0,0|0,0,0]=2 141 B7R0.5 CCC[C@@H](N)C(=O)O 4157-1-RA [2,0,0,0,0,0|1,0,0]=3 142 B7R0.5 CC\C=C(/C)C(=O)O 2321-1-0R [2,0,0,0,0,0|0,0,2]=4 143 B7R0.5 CNCC(N)C(=O)O 4157-5-00 [2,0,0,0,0,0|2,0,0]=4 144 B7R0.5 CNC[C@H](N)C(=O)O 4157-1-SK [2,0,0,0,0,0|2,0,0]=4 145 B7R0.5 COCC(N)C(=O)O 4157-1-18 [2,0,0,0,0,0|2,0,0]=4 146 B7R0.5 COC[C@@H](N)C(=O)O 4157-5-R0 [2,0,0,0,0,0|2,0,0]=4 147 B7R0.5 COC[C@H](N)C(=O)O 4157-1-S3 [2,0,0,0,0,0|2,0,0]=4 148 B7R0.5 NC(CCO)C(=O)O 4157-1-0D [2,0,0,0,0,0|2,0,0]=4 149 B7R0.5 NCCC(N)C(=O)O 4157-5-04 [2,0,0,0,0,0|2,0,0]=4 150 B7R0.5 NCC[C@@H](F)C(=O)O 4157-3-R0 [2,0,0,0,0,0|2,0,0]=4 151 B7R0.5 NCC[C@H](F)C(=O)O 4157-3-S0 [2,0,0,0,0,0|2,0,0]=4 152 B7R0.5 NCC[C@H](N)C(=O)O 4157-1-SG [2,0,0,0,0,0|2,0,0]=4 153 B9R0.1 CC(C)=CCCC(C)C=O 2315-1-06 [1,1,0,0,0,0|0,0,2]=4 154 B9R0.5 CCCCC[C@@H](C)N=C=S 7168-1-R0 [1,1,0,0,0,0|0,1,1]=4 155 B9R0.5 CCCCC[C@H](C)N=C=S 7168-1-S0 [1,1,0,0,0,0|0,1,1]=4 156 B9R0.8 CCCCC(C)C(C)CC 1100-1-30 [1,1,0,0,0,0|1,0,1]=4 157 B9R0.46 CCCCCCC(O)CO 2104-1-34 [1,1,0,0,0,0|1,0,1]=4 158 B9R0.50 CCCCCC(CO)CO 2104-1-22 [1,1,0,0,0,0|0,0,1]=3 159 B9R0.2 C=C(Br)CCCCCCC 1300-9-07 [1,1,0,0,0,0|2,0,0]=4 160 B9R0.2 C=C(Br)CCCCCCCl 1300-D-02 [1,1,0,0,0,0|2,0,0]=4 161 B9R0.2 C=C(C)CCCCCCC 1300-1-34 [1,1,0,0,0,0|2,0,0]=4 162 B9R0.2 C=C(C)CCCCCCCl 1300-5-31 [1,1,0,0,0,0|2,0,0]=4 163 B9R0.2 C=C(Cl)CCCCCCC 1300-5-25 [1,1,0,0,0,0|2,0,0]=4 164 B9R0.2 C=C(Cl)CCCCCCCl 1300-5-34 [1,1,0,0,0,0|2,0,0]=4 165 B9R0.2 C=CCCCCCC(=O)O 2321-1-25 [1,1,0,0,0,0|0,0,1]=3 166 B9R0.2 CC(=O)CCOCCCCl 2117-5-0C [1,1,0,0,0,0|2,0,0]=4 167 B9R0.2 CC(=O)CCOCCCF 2117-3-0N [1,1,0,0,0,0|2,0,0]=4 168 B9R0.2 CC(=O)OCCCCCCl 2123-5-11 [1,1,0,0,0,0|2,0,0]=4 169 B9R0.2 CCCCCC#CC(=O)O 2521-1-00 [1,1,0,0,0,0|0,0,1]=3 170 B9R0.2 CCCCCCCC(=O)Cl 2116-5-15 [1,1,0,0,0,0|1,0,0]=3 171 B9R0.2 CCCCCCCC(C)O 2102-1-09 [1,1,0,0,0,0|1,0,1]=4 172 B9R0.2 CCCCCCC[C@@H](C)O 2102-1-R2 [1,1,0,0,0,0|1,0,1]=4 173 B9R0.2 CCCCCCC[C@H](C)O 2102-1-S2 [1,1,0,0,0,0|1,0,1]=4 174 B9R0.2 CCCCC\C=C\C(=O)O 2321-1-0M [1,1,0,0,0,0|0,0,1]=3 175 B9R0.2 CCCCC\C=C\C(C)=O 2317-1-0A [1,1,0,0,0,0|1,0,1]=4 176 B9R0.2 CCCCSCCC(=O)O 6166-1-08 [1,1,0,0,0,0|0,0,0]=2 177 B9R0.2 NOCCCCCC(=O)O 4121-9-02 [1,1,0,0,0,0|1,0,0]=3 178 B9R0.38 CCCCCCP(=O)(O)O 6177-1-97 [1,1,0,0,0,0|1,0,0]=3 179 B9R0.48 CCCC(C)COC(C)=O 2123-1-1F [1,1,0,0,0,0|2,0,0]=4 180 B9R0.48 CCOC(=O)CCC(=O)O 2123-1-0C [1,1,0,0,0,0|1,0,1]=4 181 B9R0.55 CC(=O)CCOCC(C)C 2117-1-0G [1,1,0,0,0,0|2,0,0]=4 182 B9R0.55 CC(=O)CCOCC(C)F 2117-3-0M [1,1,0,0,0,0|2,0,0]=4 183 B9R0.55 CC(=O)NCCCC(=O)O 4158-1-15 [1,1,0,0,0,0|1,0,1]=4 184 B9R0.55 CC(C)CCCCC(=O)Cl 2116-5-19 [1,1,0,0,0,0|1,0,0]=3 185 B9R0.6 CCCC(F)C(N)C(=O)O 4157-3-X0 [1,1,0,0,0,0|1,0,0]=3 186 B9R0.7 CC(=O)SCC(C)C(=O)O 6166-1-X3 [1,1,0,0,0,0|1,0,1]=4 187 B9R0.7 CC(CCC(=O)O)C(=O)O 2121-1-40 [1,1,0,0,0,0|1,0,1]=4 188 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O 2121-1-0V [1,1,0,0,0,0|1,0,1]=4 189 B9R0.7 C[C@H](CCC(=O)O)C(=O)O 2121-1-R2 [1,1,0,0,0,0|1,0,1]=4 190 B9R0.7 C[S+](C)CCC(N)C(=O)O 8166-9-00 [1,1,0,0,0,0|2,0,0]=4 191 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O 8166-9-R0 [1,1,0,0,0,0|2,0,0]=4 192 B9R0.7 [C@@H](C)(CSC(C)=O)C(=O)O 6166-1-S1 [1,1,0,0,0,0|1,0,1]=4 193 B9R0.13 CCCCC(CC)C(=O)O 2121-1-27 [1,1,0,0,0,0|0,0,0]=2 194 B9R0.13 CCCCC(CC)C(=O)[O-] 2122-1-0A [1,1,0,0,0,0|0,0,1]=3 195 B9R0.13 CCCCC(CO)C(C)O 2104-1-23 [1,1,0,0,0,0|1,0,1]=4 196 B9R0.51 CC(N)(CCCN)C(=O)O 4157-1-0K [1,1,0,0,0,0|1,0,0]=3 197 B9R0.51 CC(N)(CCCN)C(=O)O 4157-5-09 [1,1,0,0,0,0|1,0,0]=3 198 B11R0.6 CC(C)=CCC[C@@H](C)CC(=O)O 2321-1-R0 [0,1,0,0,0,1|0,0,2]=4 199 B11R0.42 N[C@@H](CCCCNC=O)C(=O)O 4157-1-ST [0,2,0,0,0,0|1,0,1]=4 200 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O 4157-5-0C [0,2,0,0,0,0|1,0,1]=4 201 B11R0.145 COC(=O)C(N)CCOC(C)C 4157-1-09 [0,2,0,0,0,0|2,0,0]=4 202 B11R0.155 CCOC(=O)C(N)CCCCN 4158-5-38 [0,2,0,0,0,0|2,0,0]=4 203 B11R0.155 CCOC(=O)[C@@H](N)CCCCN 4158-5-S5 [0,2,0,0,0,0|2,0,0]=4 204 B9R1.2 CC1CCCC(CO)N1 4H56-1-JN [1,0,0,1,0,0|1,0,1]=4 205 B9R1.2 CN1CCC[C@@H](CO)C1 4H56-1-R2 [1,0,0,1,0,0|1,0,1]=4 206 B9R1.2 CN1CCC[C@H](CO)C1 4H56-1-S5 [1,0,0,1,0,0|1,0,1]=4 207 B9R1.3 CC1CCCC(C)C1O 2202-1-0X [1,0,0,1,0,0|0,0,1]=3 208 B9R1.3 CN1CCCC(N)C1=O 4H48-1-2E [1,0,0,1,0,0|2,0,0]=4 209 B9R1.3 CN1CCCC(O)C1=O 4H48-1-CZ [1,0,0,1,0,0|2,0,0]=4 210 B9R1.3 CN1CCC[C@H](N)C1=O 4H48-5-SC [1,0,0,1,0,0|2,0,0]=4 211 B9R1.5 CN1CCCCCC1=O 4H17-1-0J [1,0,0,1,0,0|1,0,0]=3 212 B9R1.5 NC1CCCCNC1=O 4H48-1-2J [1,0,0,1,0,0|2,0,0]=4 213 B9R1.5 N[C@@H]1CCCCNC1=O 4H56-1-9G [1,0,0,1,0,0|2,0,0]=4 214 B9R1.5 N[C@H]1CCCCNC1=O 4H48-1-SF [1,0,0,1,0,0|2,0,0]=4 215 B9R1.5 O=C1CCCCCC1Cl 2217-5-0A [1,0,0,1,0,0|1,0,0]=3 216 B9R1.5 O=C1NCCCCC1Br 4H48-9-2V [1,0,0,1,0,0|2,0,0]=4 217 B9R1.89 NCC1CCCCCC1 3230-1-01 [1,0,0,1,0,0|1,0,1]=4 218 B9R1.89 NCC1CCCCCC1 3230-5-0F [1,0,0,1,0,0|1,0,1]=4 219 B9R1.89 O=CC1CCCCCC1 2215-1-08 [1,0,0,1,0,0|0,0,0]=2 220 B9R1.89 ON=C1CCCCCC1 4247-1-0C [1,0,0,1,0,0|1,0,1]=4 221 B9R1.89 [C-]#[N+]C1CCCCCC1 3237-1-0C [1,0,0,1,0,0|2,0,0]=4 222 B9R1.118 CC1(CN)CCCCC1 3230-1-0R [1,0,0,1,0,0|1,0,1]=4 223 B9R1.118 CC1(CO)CCCCC1 2201-1-04 [1,0,0,1,0,0|0,0,1]=3 224 B9R1.118 CC1(CO)CCCNC1 4H56-5-0H [1,0,0,1,0,0|1,0,1]=4 225 B9R1.118 CC1(CO)CCNCC1 4H56-1-762 [1,0,0,1,0,0|1,0,1]=4 226 B9R1.118 OCC1(F)CCCCC1 2201-3-X0 [1,0,0,1,0,0|1,0,1]=4 227 B9R1.132 CN1CCC(CO)C1=O 4H48-1-CK [1,0,0,1,0,0|2,0,0]=4 228 B9R1.6 CC(=O)C1CCCCC1 2217-1-X2 [1,0,0,1,0,0|1,0,0]=3 229 B9R1.6 CC(=O)C1CCCCN1 4H17-1-9U [1,0,0,1,0,0|2,0,0]=4 230 B9R1.6 CC(=O)C1CCCNC1 4H17-5-3L [1,0,0,1,0,0|2,0,0]=4 231 B9R1.6 CC(=O)C1CCNCC1 4H17-5-3M [1,0,0,1,0,0|2,0,0]=4 232 B9R1.6 CC(=O)N1CCCCC1 4H48-1-0A1 [1,0,0,1,0,0|2,0,0]=4 233 B9R1.6 N=C(N)C1CCCCC1 3241-5-03 [1,0,0,1,0,0|2,0,0]=4 234 B9R1.6 NC(=O)C1CCCCC1 4248-1-X2 [1,0,0,1,0,0|1,0,0]=3 235 B9R1.6 NC(=O)C1CCCCN1 4H48-1-01R [1,0,0,1,0,0|2,0,0]=4 236 B9R1.6 NC(=O)[C@@H]1CCCNC1 4H48-1-8A [1,0,0,1,0,0|2,0,0]=4 237 B9R1.6 NC(=O)[C@@H]1CCCNC1 4H48-5-R0 [1,0,0,1,0,0|2,0,0]=4 238 B9R1.6 NC(=O)[C@H]1CCCNC1 4H48-1-9A [1,0,0,1,0,0|2,0,0]=4 239 B9R1.6 NC(=O)[C@H]1CCCNC1 4H48-5-64 [1,0,0,1,0,0|2,0,0]=4 240 B9R1.6 O=C(Cl)C1CCCCO1 2H16-5-18 [1,0,0,1,0,0|2,0,0]=4 241 B9R1.6 O=C(Cl)N1CCCCC1 4H16-5-0S [1,0,0,1,0,0|2,0,0]=4 242 B9R1.6 O=C(O)C1CCCCC1 2221-1-22 [1,0,0,1,0,0|0,0,0]=2 243 B9R1.6 O=C(O)C1CCCCO1 2H21-1-0Y [1,0,0,1,0,0|1,0,0]=3 244 B9R1.6 O=C(O)C1CCCNC1 4H57-1-W6 [1,0,0,1,0,0|1,0,0]=3 245 B9R1.6 O=C(O)C1CCCSC1 6H66-1-41 [1,0,0,1,0,0|1,0,0]=3 246 B9R1.6 O=C(O)C1CCNCC1 4H21-5-66 [1,0,0,1,0,0|1,0,0]=3 247 B9R1.6 O=C(O)C1CCSCC1 6H21-1-Y0 [1,0,0,1,0,0|1,0,0]=3 248 B9R1.6 O=C(O)C1CNCCN1 4H57-1-27 [1,0,0,1,0,0|2,0,0]=4 249 B9R1.6 O=C(O)C1CNCCN1 4H57-5-05 [1,0,0,1,0,0|2,0,0]=4 250 B9R1.6 O=C(O)C1CNCCO1 4H58-1-011 [1,0,0,1,0,0|2,0,0]=4 251 B9R1.6 O=C(O)C1CSCCN1 8H21-5-01 [1,0,0,1,0,0|2,0,0]=4 252 B9R1.6 O=C(O)[C@@H]1CCCCN1 4H58-1-SE [1,0,0,1,0,0|1,0,0]=3 253 B9R1.6 O=C(O)[C@@H]1CNCCO1 4H58-5-SA [1,0,0,1,0,0|2,0,0]=4 254 B9R1.6 O=C(O)[C@@H]1COCCN1 4H56-1-S55 [1,0,0,1,0,0|2,0,0]=4 255 B9R1.6 O=C(O)[C@@H]1COCCN1 4H58-5-S9 [1,0,0,1,0,0|2,0,0]=4 256 B9R1.6 O=C(O)[C@H]1CCCNC1 4H57-1-S1 [1,0,0,1,0,0|1,0,0]=3 257 B9R1.6 O=C(O)[C@H]1CNCCN1 4H57-1-R3 [1,0,0,1,0,0|2,0,0]=4 258 B9R1.6 O=C(O)[C@H]1COCCN1 4H21-1-29 [1,0,0,1,0,0|2,0,0]=4 259 B9R1.13 CC(=O)NC1CCCC1 4248-1-0F [1,0,0,1,0,0|2,0,0]=4 260 B9R1.13 NC(=O)CN1CCCC1 4H48-1-030 [1,0,0,1,0,0|2,0,0]=4 261 B9R1.13 O=C(O)C=C1CCCC1 2221-1-1B [1,0,0,1,0,0|0,0,2]=4 262 B9R1.13 O=C(O)CC1CCCO1 2H21-1-0B [1,0,0,1,0,0|1,0,0]=3 263 B9R1.13 O=C(O)CC1CCNC1 4H21-1-W3 [1,0,0,1,0,0|1,0,0]=3 264 B9R1.13 O=C(O)CC1CCNC1 4H58-1-H4 [1,0,0,1,0,0|1,0,0]=3 265 B9R1.13 O=C(O)CC1CCOC1 2H21-1-59 [1,0,0,1,0,0|1,0,0]=3 266 B9R1.41 CC1CNCC1C(=O)O 4H58-1-044 [1,0,0,1,0,0|1,0,0]=3 267 B9R1.41 CN1CCCC1C(=O)O 4H21-1-FK [1,0,0,1,0,0|1,0,0]=3 268 B9R1.41 NN1CCC[C@@H]1C(=O)O 4H57-1-28 [1,0,0,1,0,0|2,0,0]=4 269 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O 4257-5-09 [1,0,0,1,0,0|1,0,0]=3 270 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O 4257-5-08 [1,0,0,1,0,0|1,0,0]=3 271 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 4257-5-10 [1,0,0,1,0,0|1,0,0]=3 272 B9R1.48 O=C1CCCCC(=O)O1 2H26-1-11 [1,0,0,1,0,0|1,0,1]=4 273 B9R1.35 CC1NC(C(=O)O)CS1 8H21-1-72 [1,0,0,1,0,0|2,0,0]=4 274 B9R1.35 CN1CCC(C(=O)O)C1 4H21-5-0C [1,0,0,1,0,0|1,0,0]=3 275 B9R1.35 CN1CC[C@@H](C(=O)O)C1 4H58-5-3S [1,0,0,1,0,0|1,0,0]=3 276 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 4H21-1-S3 [1,0,0,1,0,0|1,0,0]=3 277 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 4H21-5-0M [1,0,0,1,0,0|1,0,0]=3 278 B9R1.35 NC1CCC(C(=O)O)C1 4257-5-04 [1,0,0,1,0,0|1,0,0]=3 279 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 4H57-5-X2 [1,0,0,1,0,0|2,0,0]=4 280 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 4H58-1-JN [1,0,0,1,0,0|2,0,0]=4 281 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 4257-1-09 [1,0,0,1,0,0|1,0,0]=3 282 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 4H21-3-24 [1,0,0,1,0,0|2,0,0]=4 283 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 4H56-7-63 [1,0,0,1,0,0|2,0,0]=4 284 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 4H58-3-X7 [1,0,0,1,0,0|2,0,0]=4 285 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 4H58-5-4C [1,0,0,1,0,0|2,0,0]=4 286 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 4H58-3-X5 [1,0,0,1,0,0|2,0,0]=4 287 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 4H29-1-26 [1,0,0,1,0,0|2,0,0]=4 288 B9R1.35 O=C1CCC(C(=O)O)C1 2229-1-06 [1,0,0,1,0,0|1,0,1]=4 289 B9R1.69 CC1CCC(C)C(O)C1 2202-1-0P [1,0,0,1,0,0|1,0,1]=4 290 B9R1.93 N[C@]1(C(=O)O)C[C@@H]1CO 4257-1-0E [1,0,0,1,0,0|2,0,0]=4 291 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 2221-1-Z0 [1,0,0,1,0,0|1,0,0]=3 292 B9R1.95 O=C(O)C1CC(CBr)C1 2221-9-09 [1,0,0,1,0,0|1,0,0]=3 293 B9R1.110 NC(C(=O)O)C1COC1 4H57-1-71 [1,0,0,1,0,0|2,0,0]=4 294 B9R1.163 CC(=O)C1(O)CCCC1 2217-1-1M [1,0,0,1,0,0|2,0,0]=4 295 B9R1.163 CC1(C(=O)O)CCCO1 2H21-1-0R [1,0,0,1,0,0|1,0,0]=3 296 B9R1.163 C[C@@]1(C(=O)O)CCCN1 4H57-1-06 [1,0,0,1,0,0|1,0,0]=3 297 B9R1.163 C[C@]1(C(=O)O)CCCN1 4H21-1-TA [1,0,0,1,0,0|1,0,0]=3 298 B9R1.163 NC1(C(=O)O)CCCC1 4257-1-04 [1,0,0,1,0,0|1,0,0]=3 299 B9R1.163 NC1(C(=O)O)CCOC1 4H57-1-05 [1,0,0,1,0,0|2,0,0]=4 300 B9R1.163 N[C@]1(C(=O)O)CCNC1 4H57-5-08 [1,0,0,1,0,0|2,0,0]=4 301 B9R1.163 O=C(O)C1(F)CCCC1 2221-3-0C [1,0,0,1,0,0|1,0,0]=3 302 B9R1.163 O=C(O)C1(O)CCCC1 2229-1-0X [1,0,0,1,0,0|1,0,0]=3 303 B11R1.27 CCCOCC1COC(=O)O1 2H28-1-15 [0,0,0,1,0,1|1,0,0]=3 304 B11R1.34 CCCC1CC(=O)C=C(C)C1 2417-1-0E [0,0,0,1,0,1|1,0,1]=4 305 B11R1.230 CCCCC1OC(=O)CC1C 2H25-1-3D [0,0,0,1,0,1|0,0,0]=2 306 B11R1.742 O=C(O)CC1CCCCCC1 2221-1-1K [0,0,0,1,0,1|0,0,0]=2 307 B11R1.742 O=C(O)CN1CCCCCC1 4H21-5-61 [0,0,0,1,0,1|1,0,0]=3 308 B11R1.928 CC1(CC(=O)O)CCOCC1 2H21-1-50 [0,0,0,1,0,1|1,0,0]=3 309 B11R1.928 NC1(CC(=O)O)CCCCC1 4232-1-00 [0,0,0,1,0,1|1,0,0]=3 310 B11R1.35 N[C@@H](CC1CCCC1)C(=O)O 4257-1-S6 [0,1,0,1,0,0|1,0,0]=3 311 B11R1.816 CCOC(=O)C1CC1C(=O)O 2223-1-17 [0,1,0,1,0,0|1,0,1]=4 312 B11R1.816 CCOC(=O)[C@H]1C[C@@H]1C(=O)O 2223-1-36 [0,1,0,1,0,0|1,0,1]=4 313 B11R1.737 NC1(C(=O)O)CCCCCC1 4257-1-0G [0,1,0,1,0,0|0,0,0]=2 314 B11R1.36 NC(C(=O)O)C1CCCCC1 4257-1-0B [0,1,0,1,0,0|1,0,0]=3 315 B11R1.36 NC(C(=O)O)C1CCOCC1 4H57-1-91 [0,1,0,1,0,0|1,0,0]=3 316 B11R1.36 N[C@H](C(=O)O)C1CCNCC1 4H57-1-S8 [0,1,0,1,0,0|1,0,0]=3 317 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 4H57-1-S7 [0,1,0,1,0,0|1,0,0]=3 318 B11R1.36 O=C(O)C(=O)C1CCCCC1 2229-1-1W [0,1,0,1,0,0|1,0,1]=4 319 B11R1.266 COC1CCCC(C(=O)O)C1 2221-1-0N [0,1,0,1,0,0|0,0,0]=2 320 B11R1.558 O=C1C(Cl)CCCCCC1Cl 2217-5-0B [0,1,0,1,0,0|2,0,0]=4 321 B11R1.3 CC[C@H]1CC[C@H](C(=O)O)CC1 2221-1-40 [0,1,0,1,0,0|0,0,0]=2 322 B11R1.3 O=C(O)C1CCC(CO)CC1 2221-1-0P [0,1,0,1,0,0|1,0,0]=3 323 B11R1.3 O=C(O)[C@H]1CC[C@@H](CO)CC1 2221-1-1G [0,1,0,1,0,0|1,0,0]=3 324 B11R1.3 O=C(O)[C@H]1CC[C@H](CO)CC1 2221-1-0G [0,1,0,1,0,0|1,0,0]=3 325 B11R1.220 CN1CCC(N)(C(=O)O)CC1 4H57-1-1H [0,1,0,1,0,0|2,0,0]=4 326 B11R1.23 COC(=O)C1CCCC(=O)C1 2223-1-0J [0,1,0,1,0,0|1,0,1]=4 327 B11R1.23 COC(=O)C1CCCC(O)C1 2229-1-1M [0,1,0,1,0,0|1,0,0]=3 328 B11R1.23 COC(=O)C1CCCN(C)C1 4H23-1-CU [0,1,0,1,0,0|1,0,0]=3 329 B11R1.23 COC(=O)[C@@H]1CCC[C@H](N)C1 4233-5-03 [0,1,0,1,0,0|1,0,0]=3 330 B11R1.23 COC(=O)[C@@H]1CCC[C@H](N)C1 4256-5-0L [0,1,0,1,0,0|1,0,0]=3 331 B11R1.23 COC(=O)[C@@H]1CCN[C@H](C)C1 4H58-5-B0 [0,1,0,1,0,0|1,0,0]=3 332 B11R1.23 COC(=O)[C@@H]1C[C@H](O)CCN1 4258-5-0D [0,1,0,1,0,0|2,0,0]=4 333 B11R1.23 COC(=O)[C@H]1CNC[C@H](C)C1 4H23-1-R1 [0,1,0,1,0,0|1,0,0]=3 334 B11R1.180 CCCCCC1=CCCC1=O 2417-1-0H [0,1,0,1,0,0|1,0,1]=4 335 B11R1.852 COC(=O)C1CCCCCC1 2223-1-60 [0,1,0,1,0,0|0,0,0]=2 336 B11R1.878 COC(=O)C1(C)CCCCC1 2223-1-0S [0,1,0,1,0,0|0,0,0]=2 337 B11R1.878 COC(=O)C1(C)CCCCN1 4H23-1-JL [0,1,0,1,0,0|1,0,0]=3 338 B11R1.878 COC(=O)C1(C)CCCNC1 4H58-1-E8 [0,1,0,1,0,0|1,0,0]=3 339 B11R1.878 COC(=O)C1(C)CCNCC1 4H23-1-JF [0,1,0,1,0,0|1,0,0]=3 340 B11R1.878 COC(=O)C1(C)CCOCC1 2H23-1-48 [0,1,0,1,0,0|1,0,0]=3 341 B11R1.878 COC(=O)C1(N)CCCCC1 4230-1-01 [0,1,0,1,0,0|1,0,0]=3 342 B11R1.878 COC(=O)C1(N)CCOCC1 4H58-1-US [0,1,0,1,0,0|2,0,0]=4 343 B11R1.878 COC(=O)C1(O)CCOCC1 2H29-1-49 [0,1,0,1,0,0|2,0,0]=4 344 B11R1.878 COC(=O)[C@@]1(C)COCCN1 4H23-5-R7 [0,1,0,1,0,0|2,0,0]=4 345 B11R1.1470 COC(=O)[C@]1(C)CCCC1=O 2229-1-R1 [0,1,0,1,0,0|1,0,1]=4 346 B11R1.1074 CC(=O)C1(C=O)CCCCC1 2217-1-28 [0,1,0,1,0,0|1,0,1]=4 347 B11R1.730 O=C(O)C1CCCC(F)(F)C1 2221-3-29 [0,1,0,1,0,0|1,0,0]=3 348 B11R1.730 O=C(O)C1CNCC(F)(F)C1 4H58-7-52 [0,1,0,1,0,0|2,0,0]=4 349 B11R2.845 CC(=O)C1CC2CCC1C2 2217-1-37 [0,0,0,2,0,0|1,0,0]=3 350 B11R2.845 NC(=O)C1NC2CCC1C2 4H48-1-BZ [0,0,0,2,0,0|2,0,0]=4 351 B11R2.845 O=C(O)C1CC2C=CC1C2 2421-1-06 [0,0,0,2,0,0|0,0,2]=4 352 B11R2.845 O=C(O)[C@H]1N[C@@H]2CC[C@@H]1C2 4H58-1-019 [0,0,0,2,0,0|1,0,0]=3 353 B11R2.391 OC1(O)CCC2CCC1C2 2204-1-04 [0,0,0,2,0,0|0,0,2]=4 354 B11R2.1839 NC(=O)C12CCC(CC1)C2 4248-1-08 [0,0,0,2,0,0|1,0,0]=3 355 B11R2.1839 O=C(O)C12CCC(CC1)C2 2221-1-21 [0,0,0,2,0,0|0,0,0]=2 356 B11R2.12 O=C1NCC12CCNCC2 4H48-1-0AA [0,0,0,2,0,0|2,0,0]=4 357 B11R2.12 O=C1NCC12CCNCC2 4H48-5-AJ [0,0,0,2,0,0|2,0,0]=4 358 B11R2.1826 O=C(O)C12CC(CCN1)C2 4H58-5-4D [0,0,0,2,0,0|1,0,0]=3 359 B11R2.1867 O=C(O)C1CC2(CNC2)C1 4H57-1-75 [0,0,0,2,0,0|1,0,0]=3 360 B11R2.1867 O=C(O)C1CC2(CNC2)C1 4H58-5-4X [0,0,0,2,0,0|1,0,0]=3 361 B11R2.1867 O=C(O)C1CC2(CNC2)C1 8H64-3-25 [0,0,0,2,0,0|1,0,0]=3 362 B11R2.48 OC1CC2CCCC1CC2 2202-1-04 [0,0,0,2,0,0|1,0,1]=4