0 B9R1.35 CC(=O)N1CC[C@@H](O)C1 4H56-1-PC [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 CC1NC(C(=O)O)CS1 8H21-1-72 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.35 CN1CCC(C(=O)O)C1 4H21-5-0C [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 CN1CC[C@@H](C(=O)O)C1 4H58-5-3S [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 4H21-1-S3 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 4H21-5-0M [0,0,0,0,0,0|1,0,0]=1 6 B9R1.35 NC(=O)C1CC(O)CN1 4H48-1-NP [0,0,0,0,0,0|1,0,0]=1 7 B9R1.35 NC1CCC(C(=O)O)C1 4257-5-04 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 4H57-5-X2 [0,0,0,0,0,0|1,0,0]=1 9 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 4H58-1-JN [0,0,0,0,0,0|1,0,0]=1 10 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 4257-1-09 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 4H21-3-24 [0,0,0,0,0,0|1,0,0]=1 12 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 4H56-7-63 [0,0,0,0,0,0|1,0,0]=1 13 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 4H58-3-X7 [0,0,0,0,0,0|1,0,0]=1 14 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 4H58-5-4C [0,0,0,0,0,0|0,0,0]=0 15 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 4H58-3-X5 [0,0,0,0,0,0|1,0,0]=1 16 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 4H29-1-26 [0,0,0,0,0,0|0,0,0]=0 17 B9R1.35 O=C1CCC(C(=O)O)C1 2229-1-06 [0,0,0,0,0,0|1,0,2]=3 18 B9R1.35 O=C1CCC(C(=O)O)N1 4H58-1-009 [0,0,0,0,0,0|2,0,2]=4 19 B9R1.35 O=C1CN[C@H](C(=O)O)C1 4H33-9-0A [0,0,0,0,0,0|0,0,2]=2 20 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 4H56-5-D4 [1,0,0,0,0,0|0,0,1]=2 21 B8R1.7 CC(=O)C1=CCCC1 2417-1-0J [1,0,0,0,0,0|2,0,1]=4 22 B8R1.7 CC(=O)C1CCCC1 2217-1-0X [1,0,0,0,0,0|2,0,0]=3 23 B8R1.7 CC(=O)C1CCNC1 4H17-5-3H [1,0,0,0,0,0|3,0,0]=4 24 B8R1.7 CC(C)C1CCCN1 3H31-5-Y8 [1,0,0,0,0,0|2,0,1]=4 25 B8R1.7 CC(C)[C@@H]1CCCN1 3H31-1-SJ [1,0,0,0,0,0|2,0,1]=4 26 B8R1.7 CC(C)[C@H]1CCCN1 3H31-1-RJ [1,0,0,0,0,0|2,0,1]=4 27 B8R1.7 FC(F)[C@@H]1CCCN1 3H31-7-S2 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.7 N=C(N)C1CCCC1 3241-5-00 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.7 NC(=O)C1CCNC1 4H48-5-72 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.7 NC(=O)C1CCOC1 4H48-1-AP [1,0,0,0,0,0|3,0,0]=4 31 B8R1.7 NC(=O)[C@@H]1CCNC1 4H48-5-R1 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.7 O=C(O)C1C=CCN1 4H21-1-6F [1,0,0,0,0,0|0,0,2]=3 33 B8R1.7 O=C(O)C1CCCC1 2221-1-Y5 [1,0,0,0,0,0|1,0,0]=2 34 B8R1.7 O=C(O)C1CCCN1 4H58-1-010 [1,0,0,0,0,0|0,0,0]=1 35 B8R1.7 O=C(O)C1CCCO1 2H21-1-26 [1,0,0,0,0,0|1,0,0]=2 36 B8R1.7 O=C(O)[C@@H]1CCNC1 4H21-1-R5 [1,0,0,0,0,0|2,0,0]=3 37 B8R1.7 O=C(O)[C@@H]1CCOC1 2H21-1-R2 [1,0,0,0,0,0|2,0,0]=3 38 B8R1.7 O=[N+]([O-])C1CCCC1 4254-1-02 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.7 [C@@H]1(C(=O)O)CCCN1 4H21-1-0P [1,0,0,0,0,0|0,0,0]=1 40 B10R1.14 C=C1CN[C@H](C(=O)OC)C1 4H56-1-SC [0,1,0,0,0,0|1,0,1]=3 41 B10R1.14 COC(=O)C1CC(O)CN1 4H58-1-184 [0,1,0,0,0,0|0,0,0]=1 42 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 4H58-7-08 [0,1,0,0,0,0|1,0,0]=2 43 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 4258-7-01 [0,1,0,0,0,0|1,0,0]=2 44 B10R1.14 COC(=O)[C@H]1CC[C@@H](O)C1 2229-1-92 [0,1,0,0,0,0|1,0,0]=2 45 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 4H29-1-09 [0,1,0,0,0,0|0,0,0]=1 46 B10R1.58 O=C(O)C1CC(Br)C(Br)C1 2221-9-07 [0,1,0,0,0,0|2,0,0]=3 47 B10R1.58 O=C(O)[C@@H]1C[C@@H](F)C(=O)N1 4H29-3-35 [0,1,0,0,0,0|1,0,1]=3 48 B10R1.58 O=C1N[C@@H](C(=O)O)C[C@H]1F 4H29-3-36 [0,1,0,0,0,0|1,0,1]=3 49 B10R1.59 C=C1C[C@H](N)[C@H](C(=O)O)C1 4357-1-02 [0,1,0,0,0,0|2,0,1]=4 50 B10R1.359 CC1(C)CCC(C(=O)O)C1 2221-1-45 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.359 NC(=O)[C@H]1CC(F)(F)CN1 4H48-7-R0 [0,1,0,0,0,0|2,0,0]=3 52 B10R1.359 O=C(O)C1CCC(F)(F)C1 2221-3-10 [0,1,0,0,0,0|2,0,0]=3 53 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 4H57-7-S0 [0,1,0,0,0,0|1,0,0]=2 54 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 4H58-3-S0 [0,1,0,0,0,0|1,0,0]=2 55 B10R1.359 O=C(O)[C@@H]1CCC(F)(F)C1 2221-3-R0 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.359 O=C(O)[C@H]1CCC(F)(F)C1 2221-3-S0 [0,1,0,0,0,0|2,0,0]=3 57 B8R0.8 C#CCOC(C)C(=O)O 2521-1-11 [0,0,1,0,0,0|2,0,1]=4 58 B8R0.8 CCCCC(Br)C(=O)O 2121-9-16 [0,0,1,0,0,0|3,0,0]=4 59 B8R0.8 CCCCC(C)C(=O)O 2121-1-0S [0,0,1,0,0,0|2,0,0]=3 60 B8R0.8 CCC\C=C(/C)C(=O)O 2321-1-0S [0,0,1,0,0,0|2,0,1]=4 61 B8R0.9 CCC(Cl)CCC(=O)Cl 2116-5-23 [0,0,1,0,0,0|3,0,0]=4 62 B8R0.15 COC(CCN)C(=O)O 4157-1-57 [0,0,1,0,0,0|2,0,0]=3 63 B8R0.23 CC(=O)CC(C)C(=O)O 2129-1-0G [0,0,1,0,0,0|1,0,2]=4 64 B8R0.23 CC(C)CC(Br)C(=O)O 2121-9-0D [0,0,1,0,0,0|2,0,0]=3 65 B8R0.23 CC(C)CC(O)C(=O)O 2129-1-0U [0,0,1,0,0,0|2,0,0]=3 66 B8R0.23 CC(C)C[C@@H](O)C(=O)O 2129-1-RB [0,0,1,0,0,0|2,0,0]=3 67 B8R0.23 CC(C)C[C@H](Cl)C(=O)O 2121-5-S2 [0,0,1,0,0,0|2,0,0]=3 68 B8R0.23 CC(C)C[C@H](F)C(=O)O 2121-3-S2 [0,0,1,0,0,0|2,0,0]=3 69 B8R0.23 CC(C)C[C@H](N)C(N)=O 4158-5-02 [0,0,1,0,0,0|2,0,0]=3 70 B8R0.23 CC(CC(=O)O)C(=O)O 2121-1-0D [0,0,1,0,0,0|2,0,1]=4 71 B8R0.23 CS(=O)C[C@H](N)C(=O)O 8162-1-R0 [0,0,1,0,0,0|1,0,1]=3 72 B8R0.23 C[C@@H](CC(=O)O)C(=O)O 2121-1-S3 [0,0,1,0,0,0|2,0,1]=4 73 B8R0.23 C[C@H](CC(=O)O)C(=O)O 2121-1-R3 [0,0,1,0,0,0|2,0,1]=4 74 B8R0.23 NC(=O)CC(N)C(=O)O 4157-1-26 [0,0,1,0,0,0|1,0,2]=4 75 B8R0.23 NC(=O)C[C@H](N)C(=O)O 5157-1-01 [0,0,1,0,0,0|1,0,2]=4 76 B8R0.23 NC(CC(=O)O)C(=O)O 4157-1-0G [0,0,1,0,0,0|1,0,1]=3 77 B8R0.23 N[C@@H](CS(=O)O)C(=O)O 8157-1-02 [0,0,1,0,0,0|2,0,0]=3 78 B8R0.23 O=C(O)CC(S)C(=O)O 6161-1-X2 [0,0,1,0,0,0|2,0,1]=4 79 B8R0.23 O=C(O)C[C@H](Br)C(=O)O 2121-9-S2 [0,0,1,0,0,0|2,0,1]=4 80 B8R0.23 O=C(O)C[C@H](O)C(=O)O 2129-1-S4 [0,0,1,0,0,0|2,0,1]=4 81 B8R0.28 C=C(C)CCCC(=O)O 2321-1-18 [0,0,1,0,0,0|2,0,1]=4 82 B8R0.28 CC(=O)CCCC(=O)O 2129-1-0X [0,0,1,0,0,0|1,0,2]=4 83 B8R0.28 CC(=O)CCCC(C)C 2117-1-0E [0,0,1,0,0,0|3,0,0]=4 84 B8R0.28 CC(=O)COCC(C)F 2117-3-1F [0,0,1,0,0,0|3,0,0]=4 85 B8R0.28 CC(C)CCCC(=O)O 2121-1-15 [0,0,1,0,0,0|2,0,0]=3 86 B8R0.28 O=C(O)CCCC(=O)O 2121-1-25 [0,0,1,0,0,0|2,0,1]=4 87 B8R0.28 O=C(O)CNCC(=O)O 4157-1-48 [0,0,1,0,0,0|1,0,1]=3 88 B8R0.28 O=C(O)COCC(=O)O 2121-1-0B [0,0,1,0,0,0|2,0,1]=4 89 B10R2.348 O=C(O)C12CC(CN1)C2 4H21-5-07 [0,0,0,1,0,0|1,0,0]=2 90 B10R2.355 [C@@H]12CNC(C(=O)O)[C@@H]1C2 4H57-1-V0 [0,0,0,1,0,0|1,0,0]=2 91 B8R1.23 C=C1CC(C(=O)Cl)C1 2316-5-04 [0,0,0,0,1,0|2,0,1]=4 92 B8R1.23 CC(=O)N1CC(O)C1 4H48-1-LQ [0,0,0,0,1,0|2,0,0]=3 93 B8R1.23 CC1CC(C(=O)O)C1 2221-1-0B [0,0,0,0,1,0|1,0,0]=2 94 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 2221-1-29 [0,0,0,0,1,0|1,0,0]=2 95 B8R1.23 NC1CC(C(=O)O)C1 4257-1-29 [0,0,0,0,1,0|1,0,0]=2 96 B8R1.23 NC1CC(C(=O)O)C1 4257-5-14 [0,0,0,0,1,0|1,0,0]=2 97 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 4257-5-01 [0,0,0,0,1,0|1,0,0]=2 98 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 4257-5-07 [0,0,0,0,1,0|1,0,0]=2 99 B8R1.23 O=C(O)C1CC(F)C1 2221-3-09 [0,0,0,0,1,0|1,0,0]=2 100 B8R1.23 O=C(O)C1CC(O)C1 2229-1-89 [0,0,0,0,1,0|0,0,0]=1 101 B10R1.13 CC1CCC(C(N)=O)CN1 4H48-1-A6 [0,0,0,0,0,1|3,0,0]=4 102 B10R1.13 NC1CCC(C(=O)O)CC1 4257-5-0B [0,0,0,0,0,1|2,0,0]=3 103 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 4257-5-X0 [0,0,0,0,0,1|2,0,0]=3 104 B10R1.13 O=C(O)C1CCC(Cl)CC1 2221-5-00 [0,0,0,0,0,1|2,0,0]=3 105 B10R1.13 O=C(O)C1CCC(O)CC1 2221-1-1M [0,0,0,0,0,1|1,0,0]=2 106 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 4H57-5-17 [0,0,0,0,0,1|0,0,0]=1 107 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 2229-1-1G [0,0,0,0,0,1|1,0,0]=2 108 B10R1.13 O=C1CCC(C(=O)O)CN1 4H58-1-A5 [0,0,0,0,0,1|1,0,2]=4 109 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](O)C1 2323-1-37 [0,0,0,0,0,1|2,0,1]=4 110 B10R1.113 CC1CCCC(C(=O)O)N1 4H21-5-44 [0,0,0,0,0,1|3,0,0]=4 111 B10R1.113 CC1COCC(C(=O)O)N1 4H21-5-43 [0,0,0,0,0,1|3,0,0]=4 112 B10R1.113 CN1CCCC(C(=O)O)C1 4H21-5-Z1 [0,0,0,0,0,1|3,0,0]=4 113 B10R1.113 CN1CCC[C@@H](C(=O)O)C1 4H21-1-R0 [0,0,0,0,0,1|3,0,0]=4 114 B10R1.113 CN1CCC[C@H](C(=O)O)C1 4H21-1-S0 [0,0,0,0,0,1|3,0,0]=4 115 B10R1.113 NC1CCCC(C(=O)O)C1 4257-1-X1 [0,0,0,0,0,1|2,0,0]=3 116 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 4257-5-0A [0,0,0,0,0,1|2,0,0]=3 117 B10R1.113 O=C(O)C1CCCC(O)C1 2229-1-0Z [0,0,0,0,0,1|1,0,0]=2 118 B10R1.113 O=C(O)C1CS(=O)CCN1 8H65-5-02 [0,0,0,0,0,1|1,0,1]=3 119 B10R1.113 O=C(O)[C@H]1C[C@@H](O)CCN1 4H29-5-0A [0,0,0,0,0,1|0,0,0]=1 120 B10R1.113 O=C1CC(C(=O)O)CCN1 4H58-1-C7 [0,0,0,0,0,1|1,0,2]=4 121 B7R0.3 CCCCC(O)CN 4156-1-95 [1,0,1,0,0,0|1,0,1]=4 122 B7R0.4 C=CCCCC(=O)O 2321-1-0P [1,0,1,0,0,0|1,0,1]=4 123 B7R0.4 CC(=O)CCCCCl 2117-5-05 [1,0,1,0,0,0|2,0,0]=4 124 B7R0.4 CC(=O)NCCCN 4148-5-0D [1,0,1,0,0,0|2,0,0]=4 125 B7R0.4 CCCCCC(C)=O 2117-1-14 [1,0,1,0,0,0|2,0,0]=4 126 B7R0.4 CCCCCC(N)=O 4148-1-1F [1,0,1,0,0,0|2,0,0]=4 127 B7R0.4 CCCOCC(=O)O 2121-1-0F [1,0,1,0,0,0|1,0,0]=3 128 B7R0.4 CCOCCC(=O)O 2121-1-0E [1,0,1,0,0,0|2,0,0]=4 129 B7R0.4 COCCCC(=O)O 2121-1-51 [1,0,1,0,0,0|2,0,0]=4 130 B7R0.4 N#CCCCC(=O)O 4137-1-0M [1,0,1,0,0,0|0,0,2]=4 131 B7R0.4 NCCCCC(=O)O 4157-1-22 [1,0,1,0,0,0|0,0,0]=2 132 B7R0.4 NOCCCC(=O)O 4147-9-01 [1,0,1,0,0,0|1,0,0]=3 133 B7R0.4 O=C(Cl)CCCCBr 2116-D-X0 [1,0,1,0,0,0|2,0,0]=4 134 B7R0.4 O=C(O)CCCCCl 2121-5-05 [1,0,1,0,0,0|1,0,0]=3 135 B7R0.4 O=C(O)COCCCl 2121-5-01 [1,0,1,0,0,0|2,0,0]=4 136 B7R0.4 O=C([O-])CCCCO 2129-1-1E [1,0,1,0,0,0|1,0,1]=4 137 B7R0.5 C#CCC(N)C(=O)O 4557-1-01 [1,0,1,0,0,0|0,0,2]=4 138 B7R0.5 C#CC[C@@H](N)C(=O)O 4557-1-R3 [1,0,1,0,0,0|0,0,2]=4 139 B7R0.5 C#CC[C@H](N)C(=O)O 4557-1-S3 [1,0,1,0,0,0|0,0,2]=4 140 B7R0.5 C=CC[C@@H](N)C(=O)O 4357-1-01 [1,0,1,0,0,0|0,0,2]=4 141 B7R0.5 CCCC(Br)C(=O)O 2121-9-0C [1,0,1,0,0,0|1,0,0]=3 142 B7R0.5 CCCC(C)C(=O)O 2121-1-0R [1,0,1,0,0,0|1,0,0]=3 143 B7R0.5 CCC[C@@H](N)C(=O)O 4157-1-RA [1,0,1,0,0,0|0,0,0]=2 144 B7R0.5 CC\C=C(/C)C(=O)O 2321-1-0R [1,0,1,0,0,0|1,0,1]=4 145 B7R0.5 CNCC(N)C(=O)O 4157-5-00 [1,0,1,0,0,0|1,0,0]=3 146 B7R0.5 CNC[C@H](N)C(=O)O 4157-1-SK [1,0,1,0,0,0|1,0,0]=3 147 B7R0.5 COCC(N)C(=O)O 4157-1-18 [1,0,1,0,0,0|1,0,0]=3 148 B7R0.5 COC[C@@H](N)C(=O)O 4157-5-R0 [1,0,1,0,0,0|1,0,0]=3 149 B7R0.5 COC[C@H](N)C(=O)O 4157-1-S3 [1,0,1,0,0,0|1,0,0]=3 150 B7R0.5 NC(CCO)C(=O)O 4157-1-0D [1,0,1,0,0,0|0,0,0]=2 151 B7R0.5 NCCC(N)C(=O)O 4157-5-04 [1,0,1,0,0,0|1,0,0]=3 152 B7R0.5 NCC[C@@H](F)C(=O)O 4157-3-R0 [1,0,1,0,0,0|2,0,0]=4 153 B7R0.5 NCC[C@H](F)C(=O)O 4157-3-S0 [1,0,1,0,0,0|2,0,0]=4 154 B7R0.5 NCC[C@H](N)C(=O)O 4157-1-SG [1,0,1,0,0,0|1,0,0]=3 155 B7R0.6 C=C(C)CCC(=O)O 2321-1-0E [1,0,1,0,0,0|1,0,1]=4 156 B7R0.6 CC(=O)CCC(C)C 2117-1-12 [1,0,1,0,0,0|2,0,0]=4 157 B7R0.6 CC(C)CCC(=O)O 2121-1-29 [1,0,1,0,0,0|1,0,0]=3 158 B7R0.6 CC(Cl)CCC(=O)Cl 2116-5-0B [1,0,1,0,0,0|2,0,0]=4 159 B7R0.6 CC(N)CCC(=O)O 4157-5-14 [1,0,1,0,0,0|1,0,0]=3 160 B7R0.6 C[C@@H](O)CC[C@@H](C)O 2104-1-33 [1,0,1,0,0,0|1,0,1]=4 161 B7R0.6 C[C@H](O)CC[C@H](C)O 2104-1-27 [1,0,1,0,0,0|1,0,1]=4 162 B7R0.6 O=C(O)CCC(=O)O 2121-1-24 [1,0,1,0,0,0|1,0,1]=4 163 B7R0.6 O=C(O)CCC(F)F 2121-3-72 [1,0,1,0,0,0|2,0,0]=4 164 B7R0.15 CNC(CS)C(=O)O 8161-5-02 [1,0,1,0,0,0|0,1,0]=3 165 B7R0.15 CN[C@@H](CO)C(=O)O 4157-1-59 [1,0,1,0,0,0|0,0,0]=2 166 B7R0.2 CC(C)C[C@H](N)CO 4156-1-S6 [1,0,1,0,0,0|1,0,1]=4 167 B7R1.1 CCC1CCCN1 3H31-1-7G [2,0,0,0,0,0|1,0,1]=4 168 B7R1.1 N#CC1CCCN1 3H37-5-Y9 [2,0,0,0,0,0|1,0,1]=4 169 B7R1.1 N#C[C@@H]1CCCN1 4H37-3-S1 [2,0,0,0,0,0|1,0,1]=4 170 B7R1.1 N#C[C@H]1CCCN1 3H37-1-R0 [2,0,0,0,0,0|1,0,1]=4 171 B7R1.1 N#C[C@H]1CCCN1 4H37-3-R1 [2,0,0,0,0,0|1,0,1]=4 172 B7R1.1 NC[C@@H]1CCCN1 3H30-5-S1 [2,0,0,0,0,0|1,0,1]=4 173 B7R1.1 O=CC1=CCCC1 2415-1-03 [2,0,0,0,0,0|1,0,1]=4 174 B7R1.1 O=CC1CCCC1 2215-1-01 [2,0,0,0,0,0|1,0,0]=3 175 B7R1.1 O=CC1CCCO1 2H15-1-0Q [2,0,0,0,0,0|1,0,0]=3 176 B7R1.1 OC[C@H]1CCCO1 2H10-1-63 [2,0,0,0,0,0|1,0,1]=4 177 B7R1.2 CC1CNC(=O)C1 4H48-1-HT [2,0,0,0,0,0|1,0,1]=4 178 B7R1.2 NC1CCC(O)C1 4256-5-48 [2,0,0,0,0,0|2,0,0]=4 179 B7R1.2 NC1CNC(=O)C1 4H48-5-BD [2,0,0,0,0,0|1,0,1]=4 180 B7R1.2 N[C@H]1CC[C@@H](O)C1 4256-5-02 [2,0,0,0,0,0|2,0,0]=4 181 B7R1.2 O=C1C[C@@H](O)CN1 4H48-1-59 [2,0,0,0,0,0|0,0,1]=3 182 B7R1.2 O=C1C[C@@H](O)CO1 2H25-1-R1 [2,0,0,0,0,0|1,0,1]=4 183 B7R1.2 O[C@@H]1C=C[C@H](O)C1 2404-1-00 [2,0,0,0,0,0|1,0,1]=4 184 B9R0.7 CC(CCC(=O)O)C(=O)O 2121-1-40 [0,1,1,0,0,0|1,0,1]=4 185 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O 2121-1-0V [0,1,1,0,0,0|1,0,1]=4 186 B9R0.7 C[C@H](CCC(=O)O)C(=O)O 2121-1-R2 [0,1,1,0,0,0|1,0,1]=4 187 B9R0.13 CCCCC(CC)C(=O)O 2121-1-27 [0,1,1,0,0,0|2,0,0]=4 188 B9R0.42 CC(NC(=O)CN)C(=O)O 4157-1-25 [0,1,1,0,0,0|1,0,1]=4 189 B9R0.42 [C@@H](C)(NC(=O)CCl)C(=O)O 4158-5-34 [0,1,1,0,0,0|1,0,1]=4 190 B9R0.51 CC(N)(CCCN)C(=O)O 4157-1-0K [0,1,1,0,0,0|2,0,0]=4 191 B9R0.51 CC(N)(CCCN)C(=O)O 4157-5-09 [0,1,1,0,0,0|2,0,0]=4 192 B9R0.24 COC(=O)CCC(=O)CN 4158-5-00 [0,1,1,0,0,0|0,0,2]=4 193 B9R0.39 CCC(CC(=O)O)C(=O)O 2121-1-21 [0,1,1,0,0,0|1,0,1]=4 194 B9R0.39 CN[C@@H](CC(C)C)C(=O)O 4157-5-08 [0,1,1,0,0,0|1,0,0]=3 195 B9R0.57 CC(C)(C)CC(N)C(=O)O 4157-1-0F [0,1,1,0,0,0|1,0,0]=3 196 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O 4157-1-R8 [0,1,1,0,0,0|1,0,0]=3 197 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O 4157-3-S3 [0,1,1,0,0,0|1,0,0]=3 198 B9R0.57 NC(CC(F)(F)F)C(=O)O 4157-7-X0 [0,1,1,0,0,0|2,0,0]=4 199 B9R0.57 NC(CP(=O)(O)O)C(=O)O 8177-1-08 [0,1,1,0,0,0|2,0,0]=4 200 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O 8164-1-R0 [0,1,1,0,0,0|2,0,0]=4 201 B9R0.79 CC(C)[C@@H](O)[C@@H](N)C(=O)O 4157-1-0T [0,1,1,0,0,0|1,0,0]=3 202 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O 4156-1-46 [0,1,1,0,0,0|0,0,0]=2 203 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O 4157-1-45 [0,1,1,0,0,0|0,0,0]=2 204 B9R0.79 NC(C(=O)O)C(N)C(=O)O 4157-1-0M [0,1,1,0,0,0|1,0,1]=4 205 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O 4157-1-0S [0,1,1,0,0,0|1,0,1]=4 206 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O 4157-1-42 [0,1,1,0,0,0|1,0,1]=4 207 B9R0.1 COC(=O)COCC(C)F 2123-3-6K [0,1,1,0,0,0|2,0,0]=4 208 B9R0.53 CN(CC(=O)O)CC(=O)O 4157-1-43 [0,1,1,0,0,0|1,0,1]=4 209 B9R1.133 OC[C@@H]1CC(F)(F)CN1 4H33-7-S0 [1,1,0,0,0,0|1,0,1]=4 210 B9R1.11 CNC(=O)C1CCCN1 4H48-5-G1 [1,1,0,0,0,0|1,0,0]=3 211 B9R1.11 COC(=O)C1CCCO1 2H23-1-0J [1,1,0,0,0,0|1,0,0]=3 212 B9R1.11 COC(=O)C1CCOC1 2H23-1-44 [1,1,0,0,0,0|2,0,0]=4 213 B9R1.11 COC(=O)N1CCCC1 4H56-1-DL [1,1,0,0,0,0|2,0,0]=4 214 B9R1.11 COC(=O)[C@@H]1CCNC1 4H22-3-02 [1,1,0,0,0,0|2,0,0]=4 215 B9R1.11 COC(=O)[C@@H]1CCNC1 4H57-5-R2 [1,1,0,0,0,0|2,0,0]=4 216 B9R1.11 COC(=O)[C@@H]1CCOC1 2H23-1-R1 [1,1,0,0,0,0|2,0,0]=4 217 B9R1.11 COC(=O)[C@H]1CCNC1 4H22-3-03 [1,1,0,0,0,0|2,0,0]=4 218 B9R1.11 COC(=O)[C@H]1CCNC1 4H57-5-S2 [1,1,0,0,0,0|2,0,0]=4 219 B9R1.19 CC(C)(O)[C@@H]1CCCN1 4H56-1-S05 [1,1,0,0,0,0|1,0,1]=4 220 B9R1.41 CC1CNCC1C(=O)O 4H58-1-044 [1,1,0,0,0,0|2,0,0]=4 221 B9R1.41 CN1CCCC1C(=O)O 4H21-1-FK [1,1,0,0,0,0|0,0,0]=2 222 B9R1.41 NN1CCC[C@@H]1C(=O)O 4H57-1-28 [1,1,0,0,0,0|0,0,0]=2 223 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O 4257-5-09 [1,1,0,0,0,0|1,0,0]=3 224 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O 4257-5-08 [1,1,0,0,0,0|1,0,0]=3 225 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 4257-5-10 [1,1,0,0,0,0|1,0,0]=3 226 B9R1.163 CC(=O)C1(O)CCCC1 2217-1-1M [1,1,0,0,0,0|2,0,0]=4 227 B9R1.163 CC1(C(=O)O)CCCO1 2H21-1-0R [1,1,0,0,0,0|1,0,0]=3 228 B9R1.163 C[C@@]1(C(=O)O)CCCN1 4H57-1-06 [1,1,0,0,0,0|0,0,0]=2 229 B9R1.163 C[C@]1(C(=O)O)CCCN1 4H21-1-TA [1,1,0,0,0,0|0,0,0]=2 230 B9R1.163 NC1(C(=O)O)CCCC1 4257-1-04 [1,1,0,0,0,0|1,0,0]=3 231 B9R1.163 NC1(C(=O)O)CCOC1 4H57-1-05 [1,1,0,0,0,0|2,0,0]=4 232 B9R1.163 N[C@]1(C(=O)O)CCNC1 4H57-5-08 [1,1,0,0,0,0|2,0,0]=4 233 B9R1.163 O=C(O)C1(F)CCCC1 2221-3-0C [1,1,0,0,0,0|1,0,0]=3 234 B9R1.163 O=C(O)C1(O)CCCC1 2229-1-0X [1,1,0,0,0,0|1,0,0]=3 235 B9R1.82 C=C1CC(C(=O)OC)C1 2323-1-39 [0,1,0,0,1,0|1,0,1]=4 236 B9R1.82 COC(=O)N1CC(O)C1 4H56-1-0LX [0,1,0,0,1,0|1,0,0]=3 237 B9R1.82 COC(=O)[C@@H]1C[C@@H](C)O1 2H23-1-E0 [0,1,0,0,1,0|2,0,0]=4 238 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 4258-5-05 [0,1,0,0,1,0|1,0,0]=3 239 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 2229-1-36 [0,1,0,0,1,0|0,0,0]=2 240 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 4258-5-04 [0,1,0,0,1,0|1,0,0]=3 241 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 2221-1-Z0 [0,1,0,0,1,0|0,0,0]=2 242 B9R1.95 O=C(O)C1CC(CBr)C1 2221-9-09 [0,1,0,0,1,0|1,0,0]=3 243 B9R1.152 CC1(C(=O)O)CC(=O)C1 2H29-1-33 [0,1,0,0,1,0|0,0,2]=4 244 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 2229-1-54 [0,1,0,0,1,0|0,0,0]=2 245 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N 4258-1-11 [0,1,0,0,1,0|2,0,0]=4 246 B11R1.3 CC[C@H]1CC[C@H](C(=O)O)CC1 2221-1-40 [0,1,0,0,0,1|2,0,0]=4 247 B11R1.3 O=C(O)C1CCC(CO)CC1 2221-1-0P [0,1,0,0,0,1|1,0,0]=3 248 B11R1.3 O=C(O)[C@H]1CC[C@@H](CO)CC1 2221-1-1G [0,1,0,0,0,1|1,0,0]=3 249 B11R1.3 O=C(O)[C@H]1CC[C@H](CO)CC1 2221-1-0G [0,1,0,0,0,1|1,0,0]=3 250 B11R1.22 COC(=O)C1CCC(C)NC1 4H56-5-97 [0,1,0,0,0,1|2,0,0]=4 251 B11R1.22 COC(=O)N1CCC(O)CC1 4H56-1-264 [0,1,0,0,0,1|2,0,0]=4 252 B11R1.22 COC(=O)[C@@H]1CC[C@@H](C)NC1 4H33-5-1F [0,1,0,0,0,1|2,0,0]=4 253 B11R1.22 COC(=O)[C@H]1CC[C@@H](O)CC1 2229-1-61 [0,1,0,0,0,1|1,0,0]=3 254 B11R1.22 COC(=O)[C@H]1CC[C@H](O)CC1 2229-1-1H [0,1,0,0,0,1|1,0,0]=3 255 B11R1.23 COC(=O)C1CCCC(O)C1 2229-1-1M [0,1,0,0,0,1|1,0,0]=3 256 B11R1.23 COC(=O)[C@@H]1CCC[C@H](N)C1 4233-5-03 [0,1,0,0,0,1|2,0,0]=4 257 B11R1.23 COC(=O)[C@@H]1CCC[C@H](N)C1 4256-5-0L [0,1,0,0,0,1|2,0,0]=4 258 B11R1.23 COC(=O)[C@@H]1CCN[C@H](C)C1 4H58-5-B0 [0,1,0,0,0,1|2,0,0]=4 259 B11R1.23 COC(=O)[C@@H]1C[C@H](O)CCN1 4258-5-0D [0,1,0,0,0,1|0,0,0]=2 260 B11R1.23 COC(=O)[C@H]1CNC[C@H](C)C1 4H23-1-R1 [0,1,0,0,0,1|1,0,0]=3 261 B11R1.266 COC1CCCC(C(=O)O)C1 2221-1-0N [0,1,0,0,0,1|1,0,0]=3 262 B11R1.730 O=C(O)C1CCCC(F)(F)C1 2221-3-29 [0,1,0,0,0,1|2,0,0]=4 263 B11R1.730 O=C(O)C1CNCC(F)(F)C1 4H58-7-52 [0,1,0,0,0,1|1,0,0]=3 264 B11R1.15 CCOC(=O)[C@@H]1CC(C)CN1 4H58-1-SB [0,2,0,0,0,0|1,0,0]=3 265 B11R1.866 COC(=O)C1CCC(F)(F)C1 2223-3-12 [0,2,0,0,0,0|2,0,0]=4 266 B11R1.866 COC(=O)[C@@H]1CC(F)(F)CN1 4H22-3-04 [0,2,0,0,0,0|1,0,0]=3 267 B11R1.866 COC(=O)[C@@H]1CC(F)(F)CN1 4H58-7-S0 [0,2,0,0,0,0|1,0,0]=3 268 B9R1.6 CC(=O)C1CCCCN1 4H17-1-9U [0,0,1,1,0,0|2,0,0]=4 269 B9R1.6 NC(=O)C1CCCCN1 4H48-1-01R [0,0,1,1,0,0|2,0,0]=4 270 B9R1.6 O=C(O)C1CCCCC1 2221-1-22 [0,0,1,1,0,0|2,0,0]=4 271 B9R1.6 O=C(O)C1CCCCO1 2H21-1-0Y [0,0,1,1,0,0|2,0,0]=4 272 B9R1.6 O=C(O)C1CCCNC1 4H57-1-W6 [0,0,1,1,0,0|2,0,0]=4 273 B9R1.6 O=C(O)C1CCCSC1 6H66-1-41 [0,0,1,1,0,0|1,1,0]=4 274 B9R1.6 O=C(O)C1CNCCN1 4H57-1-27 [0,0,1,1,0,0|1,0,0]=3 275 B9R1.6 O=C(O)C1CNCCN1 4H57-5-05 [0,0,1,1,0,0|1,0,0]=3 276 B9R1.6 O=C(O)C1CNCCO1 4H58-1-011 [0,0,1,1,0,0|2,0,0]=4 277 B9R1.6 O=C(O)C1CSCCN1 8H21-5-01 [0,0,1,1,0,0|0,1,0]=3 278 B9R1.6 O=C(O)[C@@H]1CCCCN1 4H58-1-SE [0,0,1,1,0,0|1,0,0]=3 279 B9R1.6 O=C(O)[C@@H]1CNCCO1 4H58-5-SA [0,0,1,1,0,0|2,0,0]=4 280 B9R1.6 O=C(O)[C@@H]1COCCN1 4H56-1-S55 [0,0,1,1,0,0|0,0,0]=2 281 B9R1.6 O=C(O)[C@@H]1COCCN1 4H58-5-S9 [0,0,1,1,0,0|0,0,0]=2 282 B9R1.6 O=C(O)[C@H]1CCCNC1 4H57-1-S1 [0,0,1,1,0,0|2,0,0]=4 283 B9R1.6 O=C(O)[C@H]1CNCCN1 4H57-1-R3 [0,0,1,1,0,0|1,0,0]=3 284 B9R1.6 O=C(O)[C@H]1COCCN1 4H21-1-29 [0,0,1,1,0,0|0,0,0]=2 285 B9R1.93 N[C@]1(C(=O)O)C[C@@H]1CO 4257-1-0E [0,0,1,1,0,0|2,0,0]=4 286 B9R1.1 NCC1CCC(=O)NC1 4H48-1-BN [0,0,1,1,0,0|2,0,0]=4 287 B9R1.49 O=C1CCC(O)CCN1 4H48-1-1G [0,0,1,1,0,0|2,0,0]=4 288 B9R1.179 O=C(O)C1(CCO)CC1 2229-1-13 [0,0,1,1,0,0|1,0,0]=3 289 B9R1.161 CC(C)C1CC1C(=O)O 2221-1-14 [0,0,1,1,0,0|2,0,0]=4 290 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 4257-1-08 [0,0,1,1,0,0|2,0,0]=4 291 B9R2.39 O=C1CC2CCC1C2 2217-1-39 [1,0,0,1,0,0|2,0,0]=4 292 B9R2.39 O=C1NC2CCC1C2 4H48-1-CD [1,0,0,1,0,0|2,0,0]=4 293 B9R2.39 O=C1OC2CCC1C2 2H25-1-2A [1,0,0,1,0,0|1,0,0]=3 294 B9R2.110 C[C@]12CN[C@H](CO1)C2 4H56-5-F4 [1,0,0,1,0,0|1,0,1]=4 295 B9R2.145 CC(=O)C12CC(C1)C2 2217-1-38 [0,0,0,1,1,0|2,0,0]=4 296 B11R2.1839 O=C(O)C12CCC(CC1)C2 2221-1-21 [0,0,0,1,0,1|2,0,0]=4 297 B11R2.845 O=C(O)[C@H]1N[C@@H]2CC[C@@H]1C2 4H58-1-019 [0,0,0,1,0,1|2,0,0]=4 298 B11R2.1826 O=C(O)C12CC(CCN1)C2 4H58-5-4D [0,0,0,1,0,1|1,0,0]=3 299 B11R2.2454 O=C(O)C12CC(F)(CN1)C2 4H58-3-4F [0,1,0,1,0,0|1,0,0]=3 300 B7R0.16 CC(C)C(Br)C(=O)O 2121-9-10 [0,0,1,0,1,0|2,0,0]=4 301 B7R0.16 CC(C)C(N)C(=O)O 4157-1-10 [0,0,1,0,1,0|1,0,0]=3 302 B7R0.16 CC(C)[C@@H](Br)C(=O)O 2121-9-R1 [0,0,1,0,1,0|2,0,0]=4 303 B7R0.16 CC(C)[C@@H](N)C(=O)O 4157-1-Y1 [0,0,1,0,1,0|1,0,0]=3 304 B7R0.16 CC(C)[C@@H](O)C(=O)O 2129-1-18 [0,0,1,0,1,0|2,0,0]=4 305 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O 4157-1-33 [0,0,1,0,1,0|0,0,0]=2 306 B7R0.16 NC(C(=O)O)C(F)F 4157-3-38 [0,0,1,0,1,0|2,0,0]=4 307 B7R0.16 [C@@H](N)(C(=O)O)[C@@H](C)O 4157-1-X7 [0,0,1,0,1,0|0,0,0]=2 308 B7R1.10 CNC1CC(O)C1 4H56-1-082 [1,0,0,0,1,0|2,0,0]=4 309 B7R1.10 CN[C@H]1C[C@H](O)C1 4256-5-17 [1,0,0,0,1,0|2,0,0]=4 310 B7R1.10 NCC1CC(O)C1 4256-5-08 [1,0,0,0,1,0|1,0,1]=4 311 B7R1.10 NC[C@H]1C[C@@H](O)C1 4256-5-05 [1,0,0,0,1,0|1,0,1]=4 312 B7R1.10 NC[C@H]1C[C@H](O)C1 4256-5-04 [1,0,0,0,1,0|1,0,1]=4 313 B7R1.10 N[C@H]1C[C@@H](CO)C1 4256-5-10 [1,0,0,0,1,0|1,0,1]=4 314 B7R1.10 OCC1CC(Cl)C1 2201-5-00 [1,0,0,0,1,0|1,0,1]=4 315 B7R1.10 OCC1CC(O)C1 2204-1-0B [1,0,0,0,1,0|0,0,1]=3 316 B7R1.18 CC(=O)C1CCC1 2217-1-0N [1,0,0,0,1,0|1,0,0]=3 317 B7R1.18 CC(=O)N1CCC1 4H48-1-35 [1,0,0,0,1,0|2,0,0]=4 318 B7R1.18 CC(O)C1CCC1 2202-1-0Y [1,0,0,0,1,0|1,0,1]=4 319 B7R1.18 NC(=O)C1CCC1 4248-1-0H [1,0,0,0,1,0|1,0,0]=3 320 B7R1.18 NC(=O)C1CNC1 4H48-1-BC [1,0,0,0,1,0|2,0,0]=4 321 B7R1.18 NC(=O)C1CNC1 4H48-5-7Z [1,0,0,0,1,0|2,0,0]=4 322 B7R1.18 O=C(O)C1CCC1 2221-1-10 [1,0,0,0,1,0|0,0,0]=2 323 B7R1.18 O=C(O)C1CCN1 4H57-1-98 [1,0,0,0,1,0|0,0,0]=2 324 B7R1.18 O=C(O)C1COC1 2H21-1-66 [1,0,0,0,1,0|1,0,0]=3 325 B7R1.18 O=C(O)[C@@H]1CCN1 4H57-1-29 [1,0,0,0,1,0|0,0,0]=2 326 B7R1.18 OB(O)C1CCC1 6260-1-02 [1,0,0,0,1,0|1,0,1]=4 327 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F 2221-3-26 [0,0,0,0,2,0|1,0,0]=3 328 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I 2221-H-01 [0,0,0,0,2,0|1,0,0]=3 329 B7R1.12 O=C(O)[C@@H]1C[C@H]1F 2221-3-20 [0,0,0,0,2,0|1,0,0]=3 330 B7R1.12 O=C(O)[C@@H]1C[C@H]1F 2221-3-E0 [0,0,0,0,2,0|1,0,0]=3 331 B7R1.12 O=C(O)[C@H]1C[C@@H]1F 2221-3-27 [0,0,0,0,2,0|1,0,0]=3 332 B7R1.12 O=C(O)[C@H]1C[C@H]1F 2221-3-19 [0,0,0,0,2,0|1,0,0]=3 333 B7R1.12 O=C(O)[C@H]1C[C@H]1I 2221-H-R1 [0,0,0,0,2,0|1,0,0]=3 334 B9R1.13 CC(=O)NC1CCCC1 4248-1-0F [1,0,0,0,0,1|2,0,0]=4 335 B9R1.13 O=C(O)C=C1CCCC1 2221-1-1B [1,0,0,0,0,1|1,0,1]=4 336 B9R1.13 O=C(O)CC1CCCO1 2H21-1-0B [1,0,0,0,0,1|1,0,0]=3 337 B9R1.13 O=C(O)CC1CCNC1 4H21-1-W3 [1,0,0,0,0,1|2,0,0]=4 338 B9R1.13 O=C(O)CC1CCNC1 4H58-1-H4 [1,0,0,0,0,1|2,0,0]=4 339 B9R1.13 O=C(O)CC1CCOC1 2H21-1-59 [1,0,0,0,0,1|2,0,0]=4 340 B11R1.20 CC(=O)N[C@H]1CC[C@H](O)CC1 4248-1-03 [0,0,0,0,0,2|2,0,0]=4 341 B11R1.20 CC1CCC(CC(=O)O)CC1 2721-1-4B [0,0,0,0,0,2|2,0,0]=4 342 B11R1.20 O=C(O)CC1CCC(O)CC1 2229-1-79 [0,0,0,0,0,2|1,0,0]=3 343 B11R1.20 O=C(O)C[C@H]1CC[C@@H](O)CC1 2229-1-08 [0,0,0,0,0,2|1,0,0]=3 344 B11R1.20 O=C(O)C[C@H]1CC[C@H](O)CC1 2229-1-78 [0,0,0,0,0,2|1,0,0]=3