0 B7R0.6 C=C(C)CCC(=O)O 2321-1-0E [0,0,0,0,0,0|0,0,2]=2 1 B7R0.6 C=C(C)COC(C)=O 2324-1-0F [0,0,0,0,0,0|2,0,2]=4 2 B7R0.6 C=C(Cl)CSC(C)=O 6366-5-00 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.6 CC(=O)CCC(C)C 2117-1-12 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.6 CC(=O)NNC(C)=O 4139-1-02 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.6 CC(=O)ON=C(C)C 4156-1-59 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.6 CC(=O)\C=C\C(=O)O 2329-1-08 [0,0,0,0,0,0|1,0,1]=2 7 B7R0.6 CC(=S)\N=C\N(C)C 7167-1-26 [0,0,0,0,0,0|3,1,0]=4 8 B7R0.6 CC(C)=NN=C(N)N 3141-5-01 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.6 CC(C)CCB(O)O 6160-1-0B [0,0,0,0,0,0|1,0,3]=4 10 B7R0.6 CC(C)CCC(=N)N 3141-1-00 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.6 CC(C)CCC(=O)O 2121-1-29 [0,0,0,0,0,0|0,0,2]=2 12 B7R0.6 CC(C)CCC(C)O 2102-1-0C [0,0,0,0,0,0|1,0,3]=4 13 B7R0.6 CC(Cl)CCC(=O)Cl 2116-5-0B [0,0,0,0,0,0|2,0,2]=4 14 B7R0.6 CC(N)CCC(=O)O 4157-5-14 [0,0,0,0,0,0|1,0,2]=3 15 B7R0.6 CN(C)\C=C\[N+](=O)[O-] 4354-1-01 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.6 CN(C)\C=N\C(N)=S 7167-1-42 [0,0,0,0,0,0|3,1,0]=4 17 B7R0.6 O=C(Cl)CCC(=O)Cl 2116-5-18 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.6 O=C(O)CCC(=O)O 2121-1-24 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.6 O=C(O)CCC(F)F 2121-3-72 [0,0,0,0,0,0|2,0,2]=4 20 B7R0.6 O=C(O)\C=C\C(F)F 2321-3-10 [0,0,0,0,0,0|2,0,2]=4 21 B7R0.6 O=C([O-])CCC(=O)[O-] 2122-1-00 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.4 C=CCCC(=O)O 2321-1-0D [1,0,0,0,0,0|0,0,2]=3 23 B6R0.4 CC(=O)OCC=O 2123-1-53 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.4 CC(C)=CCC#N 3337-1-X6 [1,0,0,0,0,0|1,0,1]=3 25 B6R0.4 CC(C)=CCCBr 1300-9-10 [1,0,0,0,0,0|1,0,1]=3 26 B6R0.4 CCCCC(=O)Br 2116-9-0A [1,0,0,0,0,0|1,0,2]=4 27 B6R0.4 CCCCC(C)=O 2117-1-11 [1,0,0,0,0,0|1,0,2]=4 28 B6R0.4 CCCCC(N)=O 4148-1-0P [1,0,0,0,0,0|1,0,2]=4 29 B6R0.4 CCNCC(=O)O 4158-1-76 [1,0,0,0,0,0|1,0,1]=3 30 B6R0.4 CCOCC(=O)O 2121-1-20 [1,0,0,0,0,0|1,0,1]=3 31 B6R0.4 CC\C=C\C(=O)O 2321-1-X5 [1,0,0,0,0,0|0,0,2]=3 32 B6R0.4 CNCCC(=O)O 4157-1-11 [1,0,0,0,0,0|1,0,1]=3 33 B6R0.4 COCCC(=O)Cl 2116-5-0C [1,0,0,0,0,0|2,0,1]=4 34 B6R0.4 COCCC(=O)O 2123-1-63 [1,0,0,0,0,0|1,0,1]=3 35 B6R0.4 CO\C=C\C(C)=O 2317-1-00 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.4 CO\N=C\C(=O)O 4135-1-01 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.4 CSCCC(=O)Cl 6166-5-01 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.4 CSCCC(C)=O 6166-1-0J [1,0,0,0,0,0|2,0,1]=4 39 B6R0.4 N#CCCC(=O)O 4137-1-00 [1,0,0,0,0,0|1,0,2]=4 40 B6R0.4 O=C(O)CCCBr 2121-9-05 [1,0,0,0,0,0|1,0,2]=4 41 B6R0.4 O=C(O)\C=C\CBr 2321-9-00 [1,0,0,0,0,0|1,0,2]=4 42 B8R0.9 CC(=O)OCC(=O)CCl 2129-5-0G [0,1,0,0,0,0|3,0,0]=4 43 B8R0.9 CNC(=O)\C=C/C(=O)O 4348-1-17 [0,1,0,0,0,0|1,0,1]=3 44 B8R0.9 COC(=O)CCC(=O)Cl 2123-5-1D [0,1,0,0,0,0|2,0,1]=4 45 B8R0.9 COC(=O)CCC(N)=O 4148-1-1L [0,1,0,0,0,0|2,0,1]=4 46 B8R0.9 COC(=O)\C=C\C(=O)O 2323-1-35 [0,1,0,0,0,0|1,0,1]=3 47 B8R0.9 COC(=O)\C=C\C(C)=O 2329-1-E0 [0,1,0,0,0,0|1,0,1]=3 48 B8R0.9 C\C(CCC(C)C)=N/O 4147-1-0C [0,1,0,0,0,0|1,0,2]=4 49 B8R0.23 CC(=O)CC(C)C(=O)O 2129-1-0G [0,1,0,0,0,0|1,0,1]=3 50 B8R0.23 CC(=O)O[C@@H](C)C(=O)O 2123-1-S2 [0,1,0,0,0,0|2,0,0]=3 51 B8R0.23 CC(C)C(N)CC(=O)O 4157-1-40 [0,1,0,0,0,0|0,0,2]=3 52 B8R0.23 CC(C)CC(Br)C(=O)O 2121-9-0D [0,1,0,0,0,0|0,0,2]=3 53 B8R0.23 CC(C)CC(O)C(=O)O 2129-1-0U [0,1,0,0,0,0|0,0,2]=3 54 B8R0.23 CC(C)C[C@@H](O)C(=O)O 2129-1-RB [0,1,0,0,0,0|0,0,2]=3 55 B8R0.23 CC(C)C[C@H](Cl)C(=O)O 2121-5-S2 [0,1,0,0,0,0|0,0,2]=3 56 B8R0.23 CC(C)C[C@H](F)C(=O)O 2121-3-S2 [0,1,0,0,0,0|0,0,2]=3 57 B8R0.23 CC(C)C[C@H](N)C(N)=O 4158-5-02 [0,1,0,0,0,0|1,0,2]=4 58 B8R0.23 CC(C)[C@H](N)CC(=O)O 4157-1-R40 [0,1,0,0,0,0|0,0,2]=3 59 B8R0.23 CC(C)[C@H](N)CC(=O)O 4157-5-10 [0,1,0,0,0,0|0,0,2]=3 60 B8R0.23 CC(CC(=O)O)C(=O)O 2121-1-0D [0,1,0,0,0,0|2,0,1]=4 61 B8R0.23 CS(=O)C[C@H](N)C(=O)O 8162-1-R0 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.23 C[C@@H](CC(=O)O)C(=O)O 2121-1-S3 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.23 C[C@H](CC(=O)O)C(=O)O 2121-1-R3 [0,1,0,0,0,0|2,0,1]=4 64 B8R0.23 C\C(=C\C(=O)O)C(=O)O 2321-1-Z3 [0,1,0,0,0,0|2,0,1]=4 65 B8R0.23 NC(=O)CC(N)C(=O)O 4157-1-26 [0,1,0,0,0,0|2,0,1]=4 66 B8R0.23 NC(=O)C[C@H](N)C(=O)O 5157-1-01 [0,1,0,0,0,0|2,0,1]=4 67 B8R0.23 NC(CC(=O)O)C(=O)O 4157-1-0G [0,1,0,0,0,0|2,0,1]=4 68 B8R0.23 O=C(O)CC(S)C(=O)O 6161-1-X2 [0,1,0,0,0,0|2,0,1]=4 69 B8R0.23 O=C(O)C[C@H](Br)C(=O)O 2121-9-S2 [0,1,0,0,0,0|2,0,1]=4 70 B8R0.23 O=C(O)C[C@H](O)C(=O)O 2129-1-S4 [0,1,0,0,0,0|2,0,1]=4 71 B8R0.29 CC(=O)CSC(C)(C)C 6166-1-03 [0,1,0,0,0,0|2,0,1]=4 72 B8R0.29 CC(C)(C)CCC(=O)O 2121-1-36 [0,1,0,0,0,0|0,0,2]=3 73 B8R0.29 CC(C)(N)CCC(=O)O 4157-1-32 [0,1,0,0,0,0|0,0,2]=3 74 B8R0.29 CC(C)(N)CCC(=O)O 4157-5-13 [0,1,0,0,0,0|0,0,2]=3 75 B8R1.3 CC1=CC=C(O)C=N1 4H01-1-2J [0,0,0,1,0,0|2,0,1]=4 76 B8R1.3 CC1=CC=C(O)N=C1 4H01-1-5K [0,0,0,1,0,0|1,0,2]=4 77 B8R1.3 CC1=CN=C(O)C=N1 4H01-1-5N [0,0,0,1,0,0|3,0,0]=4 78 B8R1.3 CC1=CNC(=O)C=C1 G311-A-39 [0,0,0,1,0,0|1,0,2]=4 79 B8R1.3 CC1CCC(=O)CC1 2217-1-X3 [0,0,0,1,0,0|1,0,2]=4 80 B8R1.3 O=C1CCC(=O)CC1 2218-1-X2 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.3 O=C1CCC(=O)NC1 4H48-1-1E [0,0,0,1,0,0|2,0,1]=4 82 B8R1.23 C=C1CC(C(=O)Cl)C1 2316-5-04 [0,0,0,1,0,0|1,0,2]=4 83 B8R1.23 CC1CC(C(=O)O)C1 2221-1-0B [0,0,0,1,0,0|0,0,2]=3 84 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 2221-1-29 [0,0,0,1,0,0|0,0,2]=3 85 B8R1.23 NC1CC(C(=O)O)C1 4257-1-29 [0,0,0,1,0,0|1,0,2]=4 86 B8R1.23 NC1CC(C(=O)O)C1 4257-5-14 [0,0,0,1,0,0|1,0,2]=4 87 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 4257-5-01 [0,0,0,1,0,0|1,0,2]=4 88 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 4257-5-07 [0,0,0,1,0,0|1,0,2]=4 89 B8R1.23 O=C(O)C1CC(F)C1 2221-3-09 [0,0,0,1,0,0|1,0,2]=4 90 B8R1.23 O=C(O)C1CC(O)C1 2229-1-89 [0,0,0,1,0,0|1,0,2]=4 91 B8R1.35 O=C(O)CCC1CC1 2221-1-24 [0,0,0,1,0,0|0,0,2]=3 92 B8R1.51 CC1(C)CCC(=O)N1 4H48-1-052 [0,0,0,1,0,0|1,0,2]=4 93 B8R1.51 CC1(C)CCC(=O)O1 2H25-1-54 [0,0,0,1,0,0|0,0,2]=3 94 B8R1.51 CC1(C)COC(=O)O1 2H28-1-16 [0,0,0,1,0,0|1,0,2]=4 95 B8R1.77 CC1(C)CC1C(=O)O 2221-1-0X [0,0,0,1,0,0|0,0,2]=3 96 B8R1.77 CC1(C)CC1C(N)=O 4248-1-07 [0,0,0,1,0,0|1,0,2]=4 97 B8R1.77 CC1(C)C[C@@H]1C(=O)O 2221-1-S0 [0,0,0,1,0,0|0,0,2]=3 98 B6R0.2 C=C(Br)CC(C)C 1300-9-16 [0,0,0,0,1,0|2,0,1]=4 99 B6R0.2 CC(=O)SC(C)=O 6166-1-0H [0,0,0,0,1,0|3,0,0]=4 100 B6R0.2 CC(=O)\C=C(\C)[O-] 2320-1-02 [0,0,0,0,1,0|2,0,0]=3 101 B6R0.2 CC(=O)\C=C(\C)[O-] 2322-1-06 [0,0,0,0,1,0|2,0,0]=3 102 B6R0.2 CC(=O)\C=C(\C)[O-] 9126-1-X0 [0,0,0,0,1,0|2,0,0]=3 103 B6R0.2 CC(=O)\C=C(\C)[O-] 9160-1-X0 [0,0,0,0,1,0|2,0,0]=3 104 B6R0.2 CC(=O)\C=C(\C)[O-] 9182-1-X0 [0,0,0,0,1,0|2,0,0]=3 105 B6R0.2 CC(=O)\[C-]=C(/C)[O-] 9118-1-01 [0,0,0,0,1,0|2,0,1]=4 106 B6R0.2 CC(C)=CC(=O)Cl 2316-5-05 [0,0,0,0,1,0|1,0,0]=2 107 B6R0.2 CC(C)=C[N+](=O)[O-] 4354-1-00 [0,0,0,0,1,0|1,0,1]=3 108 B6R0.2 CC(C)CC(=O)O 2121-1-18 [0,0,0,0,1,0|0,0,1]=2 109 B6R0.2 CC(C)NC(N)=O 4153-1-10 [0,0,0,0,1,0|2,0,1]=4 110 B6R0.2 CC(C)OC(N)=O 4156-1-2S [0,0,0,0,1,0|2,0,1]=4 111 B6R0.2 CC(C)SC(=O)Cl 6166-5-00 [0,0,0,0,1,0|2,0,1]=4 112 B6R0.2 CC(Cl)CC(=O)O 2121-5-09 [0,0,0,0,1,0|1,0,1]=3 113 B6R0.2 CN(C)CC(=O)O 4158-1-41 [0,0,0,0,1,0|1,0,0]=2 114 B6R0.2 C[C@@H](N)CC(=O)O 4157-1-12 [0,0,0,0,1,0|1,0,1]=3 115 B6R0.2 C[C@H](N)CC(=O)O 4157-5-06 [0,0,0,0,1,0|1,0,1]=3 116 B6R0.2 C[C@H](O)CN(C)C 4156-1-SH [0,0,0,0,1,0|2,0,1]=4 117 B6R0.2 NC(=O)CC(N)=O 4148-1-Y8 [0,0,0,0,1,0|3,0,0]=4 118 B6R0.2 O=C([O-])CC(=O)[O-] 2122-1-09 [0,0,0,0,1,0|2,0,1]=4 119 B8R0.28 C=C(C)CCCC(=O)O 2321-1-18 [0,0,0,0,0,1|0,0,2]=3 120 B8R0.28 CC(=O)CCCC(=O)O 2129-1-0X [0,0,0,0,0,1|1,0,1]=3 121 B8R0.28 CC(=O)CCCC(C)C 2117-1-0E [0,0,0,0,0,1|1,0,2]=4 122 B8R0.28 CC(=O)CCCN(C)C 4156-1-51 [0,0,0,0,0,1|2,0,1]=4 123 B8R0.28 CC(=O)CCOC(C)C 2117-1-0F [0,0,0,0,0,1|1,0,2]=4 124 B8R0.28 CC(=O)OCC=C(C)C 2323-1-0B [0,0,0,0,0,1|1,0,0]=2 125 B8R0.28 CC(=O)OCC=C(F)F 2324-3-97 [0,0,0,0,0,1|3,0,0]=4 126 B8R0.28 CC(=O)OCCN(C)C 4132-1-05 [0,0,0,0,0,1|2,0,1]=4 127 B8R0.28 CC(=O)OCOC(C)=O 2123-1-27 [0,0,0,0,0,1|3,0,0]=4 128 B8R0.28 CC(=O)\C=C\C=C(C)C 2317-1-09 [0,0,0,0,0,1|1,0,1]=3 129 B8R0.28 CC(C)CCCC(=O)O 2121-1-15 [0,0,0,0,0,1|0,0,2]=3 130 B8R0.28 CC(C)CCOC(=O)Cl 2116-5-27 [0,0,0,0,0,1|1,0,2]=4 131 B8R0.28 CN(C)C\C=C\C(=O)O 4358-5-32 [0,0,0,0,0,1|1,0,1]=3 132 B8R0.28 NC(=O)COCC(=O)O 4148-1-23 [0,0,0,0,0,1|2,0,1]=4 133 B8R0.28 O=C(O)CCCC(=O)O 2121-1-25 [0,0,0,0,0,1|2,0,1]=4 134 B8R0.28 O=C(O)CNCC(=O)O 4157-1-48 [0,0,0,0,0,1|2,0,1]=4 135 B8R0.28 O=C(O)COCC(=O)O 2121-1-0B [0,0,0,0,0,1|2,0,1]=4 136 B8R0.28 O=C(O)\C=C\CC(=O)O 2321-1-10 [0,0,0,0,0,1|2,0,0]=3 137 B8R0.28 O=C(O)\C=C\CC(=O)O 2321-1-19 [0,0,0,0,0,1|2,0,0]=3 138 B5R0.1 C=CCC(=O)Cl 2316-5-09 [2,0,0,0,0,0|1,0,0]=3 139 B5R0.1 C=CC[C@H](C)O 2302-1-S0 [2,0,0,0,0,0|1,0,1]=4 140 B5R0.1 C=CNC(C)=O 4348-1-09 [2,0,0,0,0,0|2,0,0]=4 141 B5R0.1 CC(=O)NCO 4148-1-29 [2,0,0,0,0,0|2,0,0]=4 142 B5R0.1 CC(C)=CC=O 2315-1-00 [2,0,0,0,0,0|0,0,0]=2 143 B5R0.1 CC(C)=C[Mg]Br 9312-9-04 [2,0,0,0,0,0|2,0,0]=4 144 B5R0.1 C\C=C/B(O)O 6360-1-05 [2,0,0,0,0,0|1,0,1]=4 145 B5R0.1 C\C=C\C(=O)Cl 2316-5-08 [2,0,0,0,0,0|1,0,0]=3 146 B5R0.1 NCCC(=O)O 4157-1-00 [2,0,0,0,0,0|1,0,1]=4 147 B5R0.1 O=C(O)CCCl 2121-5-08 [2,0,0,0,0,0|1,0,1]=4 148 B5R0.1 O=C(O)CCF 2121-3-40 [2,0,0,0,0,0|1,0,1]=4 149 B5R0.1 O=C(O)CCI 2121-H-02 [2,0,0,0,0,0|1,0,1]=4 150 B5R0.1 O=C(O)CCO 2129-1-06 [2,0,0,0,0,0|1,0,1]=4 151 B5R0.1 O=C(O)CCS 6161-1-02 [2,0,0,0,0,0|1,0,1]=4 152 B5R0.1 O=C(O)\C=C/Br 2321-9-Z0 [2,0,0,0,0,0|1,0,0]=3 153 B5R0.1 O=C(O)\C=C\Cl 2321-5-E1 [2,0,0,0,0,0|1,0,0]=3 154 B5R0.1 O=C(O)\C=C\I 2321-H-00 [2,0,0,0,0,0|1,0,0]=3 155 B5R0.1 OCC=C(F)F 2301-3-12 [2,0,0,0,0,0|2,0,0]=4 156 B5R0.2 C\C=C/C[Mg]Cl 9312-5-06 [2,0,0,0,0,0|2,0,0]=4 157 B5R0.2 C\C=C/C[Mg]Cl 9312-5-07 [2,0,0,0,0,0|2,0,0]=4 158 B5R0.2 C\C=C\C=C\C 1300-1-00 [2,0,0,0,0,0|1,0,1]=4 159 B7R0.2 CCC(=O)CC(=O)O 2129-1-1N [1,1,0,0,0,0|0,0,1]=3 160 B7R0.2 CCC(=O)CC(C)=O 2118-1-09 [1,1,0,0,0,0|1,0,1]=4 161 B7R0.2 CCC(C)CC(=O)O 2121-1-00 [1,1,0,0,0,0|0,0,2]=4 162 B7R0.2 CCC(N)CC(=O)O 4157-1-20 [1,1,0,0,0,0|0,0,2]=4 163 B7R0.2 CC[C@@H](N)CC(=O)O 4156-5-R2 [1,1,0,0,0,0|0,0,2]=4 164 B7R0.2 CC[C@H](C)CC(=O)O 2121-1-S4 [1,1,0,0,0,0|0,0,2]=4 165 B7R0.2 COC(=O)CC(=O)O 2123-1-85 [1,1,0,0,0,0|1,0,0]=3 166 B7R0.2 C\C(C=O)=C/N(C)C 4356-1-07 [1,1,0,0,0,0|1,0,1]=4 167 B7R0.3 CCNCC(=O)OC 4158-5-0Q [1,1,0,0,0,0|1,0,1]=4 168 B7R0.3 CC\C(C)=C\CCBr 1300-9-11 [1,1,0,0,0,0|1,0,1]=4 169 B7R0.3 CNCCC(=O)OC 4158-1-78 [1,1,0,0,0,0|1,0,1]=4 170 B7R0.3 COC(=O)CCC=O 2123-1-29 [1,1,0,0,0,0|1,0,1]=4 171 B7R0.3 COCCC(=O)OC 2123-1-0T [1,1,0,0,0,0|1,0,1]=4 172 B7R0.3 CO\C=C\C(=O)OC 2124-1-00 [1,1,0,0,0,0|1,0,1]=4 173 B7R0.4 C=CCCCC(=O)O 2321-1-0P [1,1,0,0,0,0|0,0,2]=4 174 B7R0.4 CC(C)=CCOC=O 2323-1-28 [1,1,0,0,0,0|0,0,0]=2 175 B7R0.4 CCCOCC(=O)O 2121-1-0F [1,1,0,0,0,0|0,0,2]=4 176 B7R0.4 CCOCCC(=O)O 2121-1-0E [1,1,0,0,0,0|0,0,2]=4 177 B7R0.4 COCCCC(=O)O 2121-1-51 [1,1,0,0,0,0|0,0,2]=4 178 B7R0.4 C\C=C\C=C\C(=O)Cl 2316-5-07 [1,1,0,0,0,0|1,0,1]=4 179 B7R0.4 C\C=C\CCC(=O)O 2321-1-X1 [1,1,0,0,0,0|0,0,0]=2 180 B7R0.4 NCCCCC(=O)O 4157-1-22 [1,1,0,0,0,0|0,0,2]=4 181 B7R0.4 O=C(O)CCCCCl 2121-5-05 [1,1,0,0,0,0|0,0,2]=4 182 B7R0.4 O=C(O)COCCCl 2121-5-01 [1,1,0,0,0,0|1,0,1]=4 183 B7R0.5 C=CC[C@@H](N)C(=O)O 4357-1-01 [1,1,0,0,0,0|0,0,2]=4 184 B7R0.5 CCCC(Br)C(=O)O 2121-9-0C [1,1,0,0,0,0|0,0,2]=4 185 B7R0.5 CCCC(C)C(=O)O 2121-1-0R [1,1,0,0,0,0|0,0,2]=4 186 B7R0.5 CCC[C@@H](N)C(=O)O 4157-1-RA [1,1,0,0,0,0|0,0,2]=4 187 B7R0.5 CC\C=C(/C)C(=O)O 2321-1-0R [1,1,0,0,0,0|0,0,2]=4 188 B7R0.5 CNCC(N)C(=O)O 4157-5-00 [1,1,0,0,0,0|1,0,1]=4 189 B7R0.5 CNC[C@H](N)C(=O)O 4157-1-SK [1,1,0,0,0,0|1,0,1]=4 190 B7R0.5 COCC(N)C(=O)O 4157-1-18 [1,1,0,0,0,0|1,0,1]=4 191 B7R0.5 COC[C@@H](N)C(=O)O 4157-5-R0 [1,1,0,0,0,0|1,0,1]=4 192 B7R0.5 COC[C@H](N)C(=O)O 4157-1-S3 [1,1,0,0,0,0|1,0,1]=4 193 B7R0.9 CC(=O)CC(C)(C)C 2117-1-02 [0,1,0,0,1,0|1,0,1]=4 194 B7R0.9 CC(=O)CC(C)(C)O 2120-1-07 [0,1,0,0,1,0|1,0,1]=4 195 B7R0.9 CC(C)(C)CC(=O)Cl 2116-5-0D [0,1,0,0,1,0|1,0,1]=4 196 B7R0.9 C[N+](C)(C)CC(=O)O 4158-5-20 [0,1,0,0,1,0|1,0,0]=3 197 B7R0.16 CC(=O)C(Cl)C(N)=O 4148-5-16 [0,1,0,0,1,0|2,0,0]=4 198 B7R0.16 CC(C(=O)O)C(=O)O 2121-1-0M [0,1,0,0,1,0|2,0,0]=4 199 B7R0.16 CC(C)C(=O)C(=O)O 2129-1-0Q [0,1,0,0,1,0|0,0,1]=3 200 B7R0.16 CC(C)C(Br)C(=O)Br 2116-9-06 [0,1,0,0,1,0|1,0,1]=4 201 B7R0.16 CC(C)C(Br)C(=O)O 2121-9-10 [0,1,0,0,1,0|0,0,1]=3 202 B7R0.16 CC(C)C(N)C(=O)O 4157-1-10 [0,1,0,0,1,0|0,0,1]=3 203 B7R0.16 CC(C)[C@@H](Br)C(=O)O 2121-9-R1 [0,1,0,0,1,0|0,0,1]=3 204 B7R0.16 CC(C)[C@@H](N)C(=O)O 4157-1-Y1 [0,1,0,0,1,0|0,0,1]=3 205 B7R0.16 CC(C)[C@@H](O)C(=O)O 2129-1-18 [0,1,0,0,1,0|0,0,1]=3 206 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O 4157-1-33 [0,1,0,0,1,0|1,0,1]=4 207 B7R0.16 O=C(O)C(Cl)=C(Cl)Cl 2321-5-01 [0,1,0,0,1,0|2,0,0]=4 208 B7R0.16 O=C(O)C(F)C(=O)O 2121-3-1D [0,1,0,0,1,0|2,0,0]=4 209 B7R0.16 [C@@H](N)(C(=O)O)[C@@H](C)O 4157-1-X7 [0,1,0,0,1,0|1,0,1]=4 210 B9R0.1 CC(C)=CCCC(C)C=O 2315-1-06 [0,1,0,0,0,1|1,0,1]=4 211 B9R0.1 COC(=O)CCCC(=O)O 2123-1-0N [0,1,0,0,0,1|1,0,1]=4 212 B9R0.1 O=C(O)CCNC(=O)CCl 4158-5-32 [0,1,0,0,0,1|1,0,1]=4 213 B9R0.7 C=C(CCC(=O)O)C(=O)O 2321-1-09 [0,1,0,0,0,1|2,0,0]=4 214 B9R0.7 CC(=O)OCC(N)C(=O)O 4157-1-X8 [0,1,0,0,0,1|1,0,1]=4 215 B9R0.7 CC(=O)SCC(C)C(=O)O 6166-1-X3 [0,1,0,0,0,1|1,0,1]=4 216 B9R0.7 CC(N)C(=O)NCC(=O)O 4157-1-21 [0,1,0,0,0,1|1,0,1]=4 217 B9R0.7 C[S+](C)CCC(N)C(=O)O 8166-9-00 [0,1,0,0,0,1|1,0,1]=4 218 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O 8166-9-R0 [0,1,0,0,0,1|1,0,1]=4 219 B9R0.7 [C@@H](C)(CSC(C)=O)C(=O)O 6166-1-S1 [0,1,0,0,0,1|1,0,1]=4 220 B9R0.53 CC(=O)CC(=O)CC(C)C 2118-1-06 [0,1,0,0,0,1|1,0,1]=4 221 B9R0.53 CN(C)CC(O)CC(=O)O 4129-1-X1 [0,1,0,0,0,1|1,0,1]=4 222 B9R0.53 O=C(O)CC(=O)CC(=O)O 2129-1-25 [0,1,0,0,0,1|2,0,0]=4 223 B9R0.56 CC(C)(C)OCCC(=O)O 2121-1-10 [0,1,0,0,0,1|0,0,2]=4 224 B9R0.21 COC(=O)CNC(C)(C)C 4158-1-20 [0,2,0,0,0,0|1,0,1]=4 225 B9R0.24 COC(=O)CCC(=O)CN 4158-5-00 [0,2,0,0,0,0|1,0,1]=4 226 B9R0.24 COC(=O)CCC(=O)OC 2123-1-0Z [0,2,0,0,0,0|1,0,1]=4 227 B9R0.24 COC(=O)\C=C\C(=O)OC 2323-1-16 [0,2,0,0,0,0|1,0,1]=4 228 B9R0.42 CC(NC(=O)CN)C(=O)O 4157-1-25 [0,2,0,0,0,0|2,0,0]=4 229 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O 4157-1-R9 [0,2,0,0,0,0|1,0,1]=4 230 B9R0.42 COC(=O)CC(Cl)=C(Cl)Cl 2323-5-03 [0,2,0,0,0,0|2,0,0]=4 231 B9R0.42 [C@@H](C)(NC(=O)CCl)C(=O)O 4158-5-34 [0,2,0,0,0,0|2,0,0]=4 232 B9R0.43 CCC(CC)OCC(=O)O 2121-1-0U [0,2,0,0,0,0|1,0,1]=4 233 B9R0.43 CCN(CC)CCC(=O)O 4158-5-03 [0,2,0,0,0,0|1,0,1]=4 234 B9R0.48 CCOC(=O)CCC(=O)O 2123-1-0C [0,2,0,0,0,0|1,0,1]=4 235 B9R0.48 CCOC(=O)CCC(C)C 2123-1-0W [0,2,0,0,0,0|0,0,2]=4 236 B9R0.48 CCOC(=O)CNC(C)=O 4158-1-25 [0,2,0,0,0,0|2,0,0]=4 237 B9R0.10 CC(=O)CC(=O)C(C)(C)C 2118-1-0A [0,2,0,0,0,0|1,0,1]=4 238 B9R0.10 CC(C)(C)[C@H](N)CC(=O)O 4157-1-R1 [0,2,0,0,0,0|0,0,2]=4 239 B9R0.10 C\C(=C/C(=O)O)C(C)(C)C 2321-1-0L [0,2,0,0,0,0|0,0,2]=4 240 B9R0.39 CC(=O)NC(CO)C(=O)O 4158-1-Y2 [0,2,0,0,0,0|2,0,0]=4 241 B9R0.39 CN[C@@H](CC(C)C)C(=O)O 4157-5-08 [0,2,0,0,0,0|0,0,2]=4 242 B9R0.57 CC(C)(C)CC(N)C(=O)O 4157-1-0F [0,2,0,0,0,0|0,0,2]=4 243 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O 4157-1-R8 [0,2,0,0,0,0|0,0,2]=4 244 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O 4157-3-S3 [0,2,0,0,0,0|0,0,2]=4 245 B9R0.79 CC(C)[C@@H](O)[C@@H](N)C(=O)O 4157-1-0T [0,2,0,0,0,0|0,0,2]=4 246 B7R1.2 CC1=CC(=O)CO1 2H17-1-80 [1,0,0,1,0,0|1,0,1]=4 247 B7R1.2 CC1=CC=C(Br)O1 2H10-9-0D [1,0,0,1,0,0|1,0,1]=4 248 B7R1.2 CC1=CSC(O)=C1 6H61-1-04 [1,0,0,1,0,0|1,0,1]=4 249 B7R1.2 CC1=CSC(O)=N1 8H01-1-0E [1,0,0,1,0,0|2,0,0]=4 250 B7R1.2 CC1CC(=O)CN1 4H17-5-3T [1,0,0,1,0,0|1,0,1]=4 251 B7R1.3 CC1=CCNCC1 3H31-5-34 [1,0,0,1,0,0|2,0,0]=4 252 B7R1.14 O=S1(=O)CC=CC1 6H63-1-07 [1,0,0,1,0,0|1,0,1]=4 253 B7R1.18 O=C(O)C1CCC1 2221-1-10 [1,0,0,1,0,0|0,0,2]=4 254 B7R1.18 O=C(O)C1CCN1 4H57-1-98 [1,0,0,1,0,0|1,0,1]=4 255 B7R1.18 O=C(O)C1COC1 2H21-1-66 [1,0,0,1,0,0|1,0,1]=4 256 B7R1.18 O=C(O)[C@@H]1CCN1 4H57-1-29 [1,0,0,1,0,0|1,0,1]=4 257 B9R1.35 CC(=O)C1CCC(=O)O1 2H25-1-36 [0,0,0,1,0,1|1,0,1]=4 258 B9R1.35 CC1=CC(C(=O)O)=CN1 4H21-1-JE [0,0,0,1,0,1|0,0,2]=4 259 B9R1.35 CC1=CC=C(C(=O)O)N1 4H21-1-FM [0,0,0,1,0,1|1,0,1]=4 260 B9R1.35 CC1=CNC(C(=O)O)=C1 4H58-1-NN [0,0,0,1,0,1|0,0,2]=4 261 B9R1.35 CC1=CSC(C(=O)O)=N1 P311-A-39 [0,0,0,1,0,1|1,0,1]=4 262 B9R1.35 CN1CCC(C(=O)O)C1 4H21-5-0C [0,0,0,1,0,1|1,0,1]=4 263 B9R1.35 CN1CC[C@@H](C(=O)O)C1 4H58-5-3S [0,0,0,1,0,1|1,0,1]=4 264 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 4H21-1-S3 [0,0,0,1,0,1|0,0,2]=4 265 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 4H21-5-0M [0,0,0,1,0,1|0,0,2]=4 266 B9R1.35 O=C1CCC(C(=O)O)C1 2229-1-06 [0,0,0,1,0,1|1,0,1]=4 267 B9R1.35 O=C1CN[C@H](C(=O)O)C1 4H33-9-0A [0,0,0,1,0,1|1,0,1]=4 268 B9R1.161 CC(C)C1CC1C(=O)O 2221-1-14 [0,0,0,1,0,1|0,0,2]=4 269 B9R1.1 CC1=CCC(CO)CC1 2401-1-07 [0,1,0,1,0,0|1,0,1]=4 270 B9R1.10 CC1(C)OCC(=O)CO1 2H17-1-96 [0,1,0,1,0,0|1,0,1]=4 271 B9R1.69 CC1=CC=C(O)C=C1C 2701-1-08 [0,1,0,1,0,0|1,0,1]=4 272 B9R1.82 C=C1CC(C(=O)OC)C1 2323-1-39 [0,1,0,1,0,0|0,0,2]=4 273 B9R1.82 COC(=O)[C@@H]1C[C@@H](C)O1 2H23-1-E0 [0,1,0,1,0,0|1,0,1]=4 274 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 2221-1-Z0 [0,1,0,1,0,0|0,0,2]=4 275 B9R1.95 O=C(O)C1CC(CBr)C1 2221-9-09 [0,1,0,1,0,0|0,0,2]=4 276 B9R1.38 C=C1OC(=O)OC1(C)C 2H28-1-12 [0,1,0,1,0,0|1,0,1]=4 277 B9R1.38 CC1(C)OC(=O)NC1=O 4H48-1-05X [0,1,0,1,0,0|1,0,1]=4 278 B9R1.137 C\C(=C\C(=O)O)C1CC1 2321-1-Z2 [0,1,0,1,0,0|0,0,2]=4 279 B9R1.152 CC1(C(=O)O)CC(=O)C1 2H29-1-33 [0,1,0,1,0,0|1,0,1]=4 280 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 2229-1-54 [0,1,0,1,0,0|0,0,2]=4 281 B5R0.5 C=C(C)C(=O)Cl 2316-5-02 [0,0,0,0,2,0|1,0,1]=4 282 B5R0.5 C=C(C)C(=O)O 2321-1-02 [0,0,0,0,2,0|0,0,1]=3 283 B5R0.5 CC(=O)C(=O)[O-] 2122-1-14 [0,0,0,0,2,0|1,0,1]=4 284 B5R0.5 CC(Br)C(=O)O 2121-9-13 [0,0,0,0,2,0|1,0,1]=4 285 B5R0.5 CC(C)C(=O)Br 2116-9-0B [0,0,0,0,2,0|1,0,1]=4 286 B5R0.5 CN(C)C(=O)Cl 4148-5-17 [0,0,0,0,2,0|2,0,0]=4 287 B5R0.5 CN(C)C(N)=O 4153-1-03 [0,0,0,0,2,0|2,0,0]=4 288 B5R0.5 C[C@@H](Br)C(=O)O 2121-9-R0 [0,0,0,0,2,0|1,0,1]=4 289 B5R0.5 C[C@@H](O)C(=O)O 2129-1-R8 [0,0,0,0,2,0|1,0,1]=4 290 B5R0.5 NC(=O)C(=O)O 4157-1-60 [0,0,0,0,2,0|2,0,0]=4 291 B5R0.5 O=C(O)C(=O)O 2122-1-10 [0,0,0,0,2,0|2,0,0]=4 292 B5R0.5 O=C(O)C(=O)O 4H30-1-7V [0,0,0,0,2,0|2,0,0]=4 293 B9R0.55 CC(=O)NCCCC(=O)O 4158-1-15 [0,0,0,0,0,2|1,0,1]=4 294 B9R0.55 O=C(O)C\C=C\CC(=O)O 2321-1-0J [0,0,0,0,0,2|2,0,0]=4 295 B9R0.55 O=C(O)\C=C\CCC(=O)O 2321-1-23 [0,0,0,0,0,2|2,0,0]=4