0 B9R1.35 BrC1CCC(C1)C(=O)O 1P01DTVB [0,0,0,0,0,0|2,0,1]=3 1 B9R1.35 CC(C1CCC(=O)N1)C 1P01AG7B [0,0,0,0,0,0|2,0,1]=3 2 B9R1.35 CC(C1CCC(=O)O1)O 1P00CEV5 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.35 CC(C1CNC(=O)N1)C 1P0286PT [0,0,0,0,0,0|3,0,1]=4 4 B9R1.35 CC(C1COC(=O)N1)C 1P018SII [0,0,0,0,0,0|3,0,1]=4 5 B9R1.35 CC([C@@H]1CCC(=O)N1)C 1P001BQO [0,0,0,0,0,0|2,0,1]=3 6 B9R1.35 CC([C@@H]1COC(=O)N1)C 1P003CDG [0,0,0,0,0,0|3,0,1]=4 7 B9R1.35 CC([C@H]1COC(=O)N1)C 1P003CDP [0,0,0,0,0,0|3,0,1]=4 8 B9R1.35 CC1=CC(SC1)C(=O)O 1P027XXJ [0,0,0,0,0,0|3,0,0]=3 9 B9R1.35 CC1=NC(CC1)C(=O)O 1P00J6P6 [0,0,0,0,0,0|1,0,1]=2 10 B9R1.35 CC1=NO[C@@H](C1)C(=O)O 1P00DD84 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.35 CC1=N[C@@H](CC1)C(=O)O 1P0286OA [0,0,0,0,0,0|1,0,1]=2 12 B9R1.35 CC1CCC(=C1)C(=O)O 1P01A00Q [0,0,0,0,0,0|2,0,2]=4 13 B9R1.35 CC1CCC(C1)C(=O)O 1P00BFWE [0,0,0,0,0,0|2,0,1]=3 14 B9R1.35 CC1CCC(O1)C(=O)O 1P01A08O [0,0,0,0,0,0|2,0,1]=3 15 B9R1.35 CC1CCC(S1)C(=O)O 1P01A3XY [0,0,0,0,0,0|2,0,1]=3 16 B9R1.35 CC1NC(CS1)C(=O)O 1P00CA8C [0,0,0,0,0,0|2,0,1]=3 17 B9R1.35 CC1OCC(C1)C(=O)O 1P01AGK8 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.35 CN1CCC(C1)C(=O)O 1P003EZM [0,0,0,0,0,0|3,0,0]=3 19 B9R1.35 CN1CCC(C1)C(=O)O 1P00DIBI [0,0,0,0,0,0|3,0,0]=3 20 B9R1.35 CN1CC[C@@H](C1)C(=O)O 1P003AOS [0,0,0,0,0,0|3,0,0]=3 21 B9R1.35 CN1CC[C@@H](C1)C(=O)O 1P027TU4 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.35 CN1CC[C@H](C1)C(=O)O 1P00IJCM [0,0,0,0,0,0|3,0,0]=3 23 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O 1P00ILRT [0,0,0,0,0,0|1,0,1]=2 24 B9R1.35 C[C@@H]1C[C@H](NC1)C(=O)O 1P00BICG [0,0,0,0,0,0|3,0,1]=4 25 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O 1P00ILRW [0,0,0,0,0,0|1,0,1]=2 26 B9R1.35 C[C@H]1C[C@H](NC1)C(=O)O 1P00FBCG [0,0,0,0,0,0|3,0,1]=4 27 B9R1.35 Cc1ccc([nH]1)C(=O)O 1P00380V [0,0,0,0,0,0|1,0,3]=4 28 B9R1.35 Cc1ncc([nH]1)C(=O)O 1P001DSK [0,0,0,0,0,0|2,0,2]=4 29 B9R1.35 FC(C1COC(=O)N1)F 1P01JVPK [0,0,0,0,0,0|3,0,1]=4 30 B9R1.35 FC([C@@H]1CCC(=O)N1)F 1P019RVA [0,0,0,0,0,0|2,0,1]=3 31 B9R1.35 FC([C@@H]1COC(=O)N1)F 1P00ILVA [0,0,0,0,0,0|3,0,1]=4 32 B9R1.35 FC([C@H]1CCC(=O)N1)F 1P028AQU [0,0,0,0,0,0|2,0,1]=3 33 B9R1.35 FC1CCC(C1)C(=O)O 1P00HYAH [0,0,0,0,0,0|2,0,1]=3 34 B9R1.35 NC(=O)c1c[nH]c(=O)[nH]1 1P028HL5 [0,0,0,0,0,0|2,0,2]=4 35 B9R1.35 NC1=NC(CC1)C(=O)O 1P01A7A3 [0,0,0,0,0,0|1,0,1]=2 36 B9R1.35 NC1=NC(CS1)C(=O)O 1P00I4MP [0,0,0,0,0,0|2,0,1]=3 37 B9R1.35 NC1CCC(C1)C(=O)O 1P003AA8 [0,0,0,0,0,0|2,0,1]=3 38 B9R1.35 NC1CCC(C1)C(=O)O 1P003JE7 [0,0,0,0,0,0|2,0,1]=3 39 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O 1P002F03 [0,0,0,0,0,0|2,0,1]=3 40 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O 1P005Q45 [0,0,0,0,0,0|2,0,1]=3 41 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O 1P0039RV [0,0,0,0,0,0|2,0,1]=3 42 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O 1P00ADHG [0,0,0,0,0,0|3,0,1]=4 43 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O 1P024HKR [0,0,0,0,0,0|3,0,1]=4 44 B9R1.35 N[C@@H]1C[C@@H](NC1)C(=O)O 1P01XCO6 [0,0,0,0,0,0|3,0,1]=4 45 B9R1.35 N[C@@H]1C[C@H](NC1)C(=O)O 1P00AM3G [0,0,0,0,0,0|3,0,1]=4 46 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O 1P01FSS9 [0,0,0,0,0,0|2,0,1]=3 47 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O 1P001FNY [0,0,0,0,0,0|2,0,1]=3 48 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O 1P005Q44 [0,0,0,0,0,0|2,0,1]=3 49 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O 1P00DIB8 [0,0,0,0,0,0|2,0,1]=3 50 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O 1P00AMYG [0,0,0,0,0,0|3,0,1]=4 51 B9R1.35 N[C@H]1C[C@@H](NC1)C(=O)O 1P002TAD [0,0,0,0,0,0|3,0,1]=4 52 B9R1.35 N[C@H]1C[C@H](NC1)C(=O)O 1P00AOGX [0,0,0,0,0,0|3,0,1]=4 53 B9R1.35 Nc1cnc([nH]1)C(=O)O 1P001OPO [0,0,0,0,0,0|2,0,2]=4 54 B9R1.35 Nc1ncc([nH]1)C(=O)O 1P004QJA [0,0,0,0,0,0|2,0,2]=4 55 B9R1.35 Nc1nnc([nH]1)C(=O)O 1P00I7OI [0,0,0,0,0,0|3,0,1]=4 56 B9R1.35 O=C1CCC(=C1)C(=O)O 1P007D5E [0,0,0,0,0,0|1,0,1]=2 57 B9R1.35 O=C1CCC(C1)C(=O)O 1P00348M [0,0,0,0,0,0|1,0,0]=1 58 B9R1.35 O=C1CCC(C1)C(C)C 1P0090HJ [0,0,0,0,0,0|3,0,1]=4 59 B9R1.35 O=C1CCC(C1)C(F)F 1P01DUYH [0,0,0,0,0,0|3,0,1]=4 60 B9R1.35 O=C1CCC(N1)C(=O)N 1P00D9LW [0,0,0,0,0,0|1,0,0]=1 61 B9R1.35 O=C1CCC(N1)C(=O)O 1P00IKGZ [0,0,0,0,0,0|0,0,0]=0 62 B9R1.35 O=C1CCC(N1)C(=O)[O-] 1P00DELX [0,0,0,0,0,0|0,0,1]=1 63 B9R1.35 O=C1CCC(O1)C(=O)C 1P002YPU [0,0,0,0,0,0|2,0,0]=2 64 B9R1.35 O=C1CCC(O1)C(=O)O 1P00DC1X [0,0,0,0,0,0|1,0,0]=1 65 B9R1.35 O=C1CCC(S1)C(=O)O 1P007POJ [0,0,0,0,0,0|1,0,0]=1 66 B9R1.35 O=C1CCN(C1)C(=O)C 1P00CNPI [0,0,0,0,0,0|3,0,0]=3 67 B9R1.35 O=C1CCN(C1)C(=O)Cl 1P028DQR [0,0,0,0,0,0|3,0,0]=3 68 B9R1.35 O=C1CC[C@@H](C1)C(=O)O 1P003AS5 [0,0,0,0,0,0|1,0,0]=1 69 B9R1.35 O=C1CC[C@@H](N1)C(=O)O 1P0032UR [0,0,0,0,0,0|0,0,0]=0 70 B9R1.35 O=C1CC[C@@H](O1)C(=O)Cl 1P00DWRE [0,0,0,0,0,0|2,0,0]=2 71 B9R1.35 O=C1CC[C@@H](O1)C(=O)O 1P0032VY [0,0,0,0,0,0|1,0,0]=1 72 B9R1.35 O=C1CC[C@H](C1)C(=O)O 1P000UI7 [0,0,0,0,0,0|1,0,0]=1 73 B9R1.35 O=C1CC[C@H](N1)C(=O)N 1P00HZJ6 [0,0,0,0,0,0|1,0,0]=1 74 B9R1.35 O=C1CC[C@H](N1)C(=O)O 1P001LSP [0,0,0,0,0,0|0,0,0]=0 75 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] 1P00BC4J [0,0,0,0,0,0|0,0,1]=1 76 B9R1.35 O=C1CC[C@H](O1)C(=O)Cl 1P00DHJR [0,0,0,0,0,0|2,0,0]=2 77 B9R1.35 O=C1CC[C@H](O1)C(=O)O 1P003CY8 [0,0,0,0,0,0|1,0,0]=1 78 B9R1.35 O=C1CNC(C1)C(=O)O 1P00IKI8 [0,0,0,0,0,0|2,0,0]=2 79 B9R1.35 O=C1CN[C@@H](C1)C(=O)O 1P00DL64 [0,0,0,0,0,0|2,0,0]=2 80 B9R1.35 O=C1COC(C1)C(=O)O 1P01EKEJ [0,0,0,0,0,0|2,0,0]=2 81 B9R1.35 O=C1CSC(C1)C(=O)O 1P01DX9I [0,0,0,0,0,0|2,0,0]=2 82 B9R1.35 O=C1NCC(C1)C(=O)N 1P001KF7 [0,0,0,0,0,0|3,0,0]=3 83 B9R1.35 O=C1NCC(C1)C(=O)O 1P00FAQX [0,0,0,0,0,0|2,0,0]=2 84 B9R1.35 O=C1NCC(N1)C(=O)O 1P0039CW [0,0,0,0,0,0|1,0,0]=1 85 B9R1.35 O=C1NCC(O1)C(=O)O 1P018SD3 [0,0,0,0,0,0|2,0,0]=2 86 B9R1.35 O=C1NCC(S1)C(=O)O 1P001L7F [0,0,0,0,0,0|2,0,0]=2 87 B9R1.35 O=C1NC[C@@H](C1)C(=O)O 1P00I8Q9 [0,0,0,0,0,0|2,0,0]=2 88 B9R1.35 O=C1NC[C@@H](N1)C(=O)O 1P00BV0Q [0,0,0,0,0,0|1,0,0]=1 89 B9R1.35 O=C1NC[C@H](C1)C(=O)O 1P00326A [0,0,0,0,0,0|2,0,0]=2 90 B9R1.35 O=C1NC[C@H](N1)C(=O)O 1P00CKQT [0,0,0,0,0,0|1,0,0]=1 91 B9R1.35 O=C1NC[C@H](O1)C(=O)O 1P01AV38 [0,0,0,0,0,0|2,0,0]=2 92 B9R1.35 O=C1NN=C(C1)C(=O)O 1P00FPE0 [0,0,0,0,0,0|3,0,1]=4 93 B9R1.35 O=C1OCC(C1)C(=O)C 1P008PT7 [0,0,0,0,0,0|3,0,0]=3 94 B9R1.35 O=C1OCC(C1)C(=O)O 1P01A1UB [0,0,0,0,0,0|2,0,0]=2 95 B9R1.35 O=C1OCC(N1)C(=O)O 1P0088G1 [0,0,0,0,0,0|1,0,0]=1 96 B9R1.35 O=C1OCC(O1)C(=O)O 1P028NUB [0,0,0,0,0,0|2,0,0]=2 97 B9R1.35 O=C1OC[C@@H](N1)C(=O)O 1P01B735 [0,0,0,0,0,0|1,0,0]=1 98 B9R1.35 O=C1OC[C@@H](O1)C(=O)O 1P02885N [0,0,0,0,0,0|2,0,0]=2 99 B9R1.35 O=C1OC[C@H](N1)C(=O)O 1P0074SL [0,0,0,0,0,0|1,0,0]=1 100 B9R1.35 O=C1SCC(C1)C(=O)O 1P002W3L [0,0,0,0,0,0|2,0,0]=2 101 B9R1.35 O=C1SC[C@H](N1)C(=O)O 1P002BG2 [0,0,0,0,0,0|1,0,0]=1 102 B9R1.35 O=c1ccn([nH]1)C(=O)C 1P00KFKX [0,0,0,0,0,0|2,0,2]=4 103 B9R1.35 OC(=O)[C@@H]1CSC(=S)N1 1P003CDF [0,0,0,0,0,0|1,1,0]=2 104 B9R1.35 OC(=O)[C@@H]1C[C@@H](CN1)Cl 1P028JLJ [0,0,0,0,0,0|3,0,1]=4 105 B9R1.35 OC(=O)[C@@H]1C[C@@H](CN1)F 1P0001IE [0,0,0,0,0,0|3,0,1]=4 106 B9R1.35 OC(=O)[C@@H]1C[C@@H](CN1)F 1P0032T5 [0,0,0,0,0,0|3,0,1]=4 107 B9R1.35 OC(=O)[C@@H]1C[C@@H](CN1)S 1P00G8ZQ [0,0,0,0,0,0|2,1,1]=4 108 B9R1.35 OC(=O)[C@@H]1C[C@H](CN1)F 1P002QUC [0,0,0,0,0,0|3,0,1]=4 109 B9R1.35 OC(=O)[C@@H]1C[C@H](CN1)F 1P00392O [0,0,0,0,0,0|3,0,1]=4 110 B9R1.35 OC(=O)[C@@H]1C[C@H](CN1)S 1P00ILPJ [0,0,0,0,0,0|2,1,1]=4 111 B9R1.35 OC(=O)[C@@H]1C[C@H](CN1)S 1P01K8E7 [0,0,0,0,0,0|2,1,1]=4 112 B9R1.35 OC(=O)[C@H]1C[C@@H](CN1)F 1P000W42 [0,0,0,0,0,0|3,0,1]=4 113 B9R1.35 OC(=O)[C@H]1C[C@@H](CN1)F 1P00HDBV [0,0,0,0,0,0|3,0,1]=4 114 B9R1.35 OC(=O)[C@H]1C[C@H](CN1)F 1P00HYG2 [0,0,0,0,0,0|3,0,1]=4 115 B9R1.35 OC(=O)c1[nH][nH]c(=O)c1 1P00C9GT [0,0,0,0,0,0|3,0,1]=4 116 B9R1.35 OC(=O)c1c[nH]c(=O)[nH]1 1P0077K4 [0,0,0,0,0,0|1,0,2]=3 117 B9R1.35 OC(=O)c1c[nH]c(=O)s1 1P004OXP [0,0,0,0,0,0|2,0,2]=4 118 B9R1.35 OC(=O)c1ccc([nH]1)Br 1P00BIR8 [0,0,0,0,0,0|1,0,3]=4 119 B9R1.35 OC(=O)c1ccc([nH]1)Cl 1P01AEQB [0,0,0,0,0,0|1,0,3]=4 120 B9R1.35 OC(=O)c1cnc([nH]1)Br 1P027VDL [0,0,0,0,0,0|2,0,2]=4 121 B9R1.35 OC(=O)c1cnc([nH]1)Cl 1P01EKL4 [0,0,0,0,0,0|2,0,2]=4 122 B9R1.35 OC(=O)c1cnc([nH]1)S 1P00BF9O [0,0,0,0,0,0|1,1,2]=4 123 B9R1.35 OC(=O)c1csc(=O)[nH]1 1P01A76X [0,0,0,0,0,0|1,0,2]=3 124 B9R1.35 OC(=O)c1n[nH]c(=O)[nH]1 1P00D9SS [0,0,0,0,0,0|2,0,1]=3 125 B9R1.35 OC(=O)c1n[nH]c(=O)[nH]1 1P00J1AH [0,0,0,0,0,0|2,0,1]=3 126 B9R1.35 OC(=O)c1ncc([nH]1)Br 1P000RKE [0,0,0,0,0,0|2,0,2]=4 127 B9R1.35 OC(=O)c1ncc([nH]1)Br 1P024XO6 [0,0,0,0,0,0|2,0,2]=4 128 B9R1.35 OC(=O)c1ncc([nH]1)Cl 1P0024BI [0,0,0,0,0,0|2,0,2]=4 129 B9R1.35 OC(=O)c1ncc([nH]1)I 1P0024C2 [0,0,0,0,0,0|2,0,2]=4 130 B9R1.35 OC(=O)c1nnc([nH]1)Br 1P0038YL [0,0,0,0,0,0|3,0,1]=4 131 B9R1.35 OC(=O)c1nnc([nH]1)Cl 1P0038AI [0,0,0,0,0,0|3,0,1]=4 132 B9R1.35 OC1CCC(C1)C(=O)O 1P00045D [0,0,0,0,0,0|1,0,2]=3 133 B9R1.35 OC1CN[C@@H](C1)C(=O)O 1P005LO0 [0,0,0,0,0,0|2,0,2]=4 134 B9R1.35 O[C@@H]1CC[C@@H](C1)C(=O)O 1P007VPN [0,0,0,0,0,0|1,0,2]=3 135 B9R1.35 O[C@@H]1CC[C@H](C1)C(=O)O 1P00DLKM [0,0,0,0,0,0|1,0,2]=3 136 B9R1.35 O[C@@H]1CN[C@@H](C1)C(=O)O 1P0037J1 [0,0,0,0,0,0|2,0,2]=4 137 B9R1.35 O[C@@H]1CN[C@@H](C1)C(=O)O 1P003CDR [0,0,0,0,0,0|2,0,2]=4 138 B9R1.35 O[C@@H]1CN[C@H](C1)C(=O)O 1P0032SZ [0,0,0,0,0,0|2,0,2]=4 139 B9R1.35 O[C@@H]1CN[C@H](C1)C(=O)O 1P003VEQ [0,0,0,0,0,0|2,0,2]=4 140 B9R1.35 O[C@H]1CC[C@@H](C1)C(=O)O 1P0095TY [0,0,0,0,0,0|1,0,2]=3 141 B9R1.35 O[C@H]1CC[C@H](C1)C(=O)O 1P01DNL5 [0,0,0,0,0,0|1,0,2]=3 142 B9R1.35 O[C@H]1CN[C@@H](C1)C(=O)O 1P00366L [0,0,0,0,0,0|2,0,2]=4 143 B9R1.35 O[C@H]1CN[C@@H](C1)C(=O)O 1P00CM8S [0,0,0,0,0,0|2,0,2]=4 144 B9R1.35 O[C@H]1CN[C@H](C1)C(=O)O 1P0039BL [0,0,0,0,0,0|2,0,2]=4 145 B9R1.35 O[C@H]1CN[C@H](C1)C(=O)O 1P003PG0 [0,0,0,0,0,0|2,0,2]=4 146 B9R1.35 [O-]C(=O)C1CSC(=N1)C 1P00AP3Q [0,0,0,0,0,0|2,0,2]=4 147 B9R1.35 [O-]C(=O)C1CSC(N1)C 1P028UD2 [0,0,0,0,0,0|2,0,2]=4 148 B8R1.1 BrCC1CCC(=O)C1 1P027TUY [1,0,0,0,0,0|2,0,1]=4 149 B8R1.1 BrCC1CCC(=O)N1 1P002EX6 [1,0,0,0,0,0|1,0,1]=3 150 B8R1.1 BrCC1CCC(=O)O1 1P00C6UK [1,0,0,0,0,0|2,0,1]=4 151 B8R1.1 BrC[C@@H]1CCC(=O)N1 1P003D3E [1,0,0,0,0,0|1,0,1]=3 152 B8R1.1 BrC[C@H]1CCC(=O)N1 1P003BFH [1,0,0,0,0,0|1,0,1]=3 153 B8R1.1 C1OC(=O)N[C@@H]1C#C 1P00HVSI [1,0,0,0,0,0|2,0,1]=4 154 B8R1.1 C=CC1CCC(=O)N1 1P005MVU [1,0,0,0,0,0|1,0,0]=2 155 B8R1.1 C=CC1COC(=O)C1 1P00DBKX [1,0,0,0,0,0|3,0,0]=4 156 B8R1.1 C=CC1COC(=O)O1 1P0038BL [1,0,0,0,0,0|3,0,0]=4 157 B8R1.1 C=C[C@@H]1COC(=O)C1 1P0016X1 [1,0,0,0,0,0|3,0,0]=4 158 B8R1.1 C=C[C@H]1COC(=O)C1 1P008Y5W [1,0,0,0,0,0|3,0,0]=4 159 B8R1.1 C=C[C@H]1COC(=O)N1 1P001ELD [1,0,0,0,0,0|2,0,0]=3 160 B8R1.1 CCC1CCC(=O)C1 1P0008HE [1,0,0,0,0,0|2,0,1]=4 161 B8R1.1 CCC1CCC(=O)N1 1P009RS0 [1,0,0,0,0,0|1,0,1]=3 162 B8R1.1 CCC1CCC(=O)O1 1P003LXK [1,0,0,0,0,0|2,0,1]=4 163 B8R1.1 CCC1CCC(=O)S1 1P0028FT [1,0,0,0,0,0|2,0,1]=4 164 B8R1.1 CCC1COC(=O)N1 1P001SNP [1,0,0,0,0,0|2,0,1]=4 165 B8R1.1 CC[C@H]1CCC(=O)N1 1P0292WG [1,0,0,0,0,0|1,0,1]=3 166 B8R1.1 CC[C@H]1COC(=O)N1 1P001AEG [1,0,0,0,0,0|2,0,1]=4 167 B8R1.1 COC1CCC(=O)N1 1P00EFE7 [1,0,0,0,0,0|2,0,0]=3 168 B8R1.1 COC1COC(=O)N1 1P001JYR [1,0,0,0,0,0|3,0,0]=4 169 B8R1.1 CSC1CCC(=O)C1 1P0290A2 [1,0,0,0,0,0|3,0,0]=4 170 B8R1.1 C[C@@H]1CC[C@@H](N1)CO 1P01A2V5 [1,0,0,0,0,0|1,0,2]=4 171 B8R1.1 ClCC1CCC(=O)O1 1P00C90K [1,0,0,0,0,0|2,0,1]=4 172 B8R1.1 ICC1CCC(=O)N1 1P019GN0 [1,0,0,0,0,0|1,0,1]=3 173 B8R1.1 ICC1CCC(=O)O1 1P019GMZ [1,0,0,0,0,0|2,0,1]=4 174 B8R1.1 IC[C@H]1COC(=O)N1 1P001K7J [1,0,0,0,0,0|2,0,1]=4 175 B8R1.1 N#CC1CCC(=O)C1 1P00CNXS [1,0,0,0,0,0|2,0,1]=4 176 B8R1.1 N#C[C@@H]1CCC(=O)C1 1P01DYJH [1,0,0,0,0,0|2,0,1]=4 177 B8R1.1 N#C[C@H]1CCC(=O)C1 1P02095K [1,0,0,0,0,0|2,0,1]=4 178 B8R1.1 NCC1CCC(=O)C1 1P0285ZW [1,0,0,0,0,0|2,0,1]=4 179 B8R1.1 NCC1CCC(=O)N1 1P000H1S [1,0,0,0,0,0|1,0,1]=3 180 B8R1.1 NCC1CCC(=O)N1 1P003MND [1,0,0,0,0,0|1,0,1]=3 181 B8R1.1 NCC1CCC(=O)N1 1P00J3WS [1,0,0,0,0,0|1,0,1]=3 182 B8R1.1 NCC1CCC(=O)O1 1P01B61N [1,0,0,0,0,0|2,0,1]=4 183 B8R1.1 NCC1COC(=O)N1 1P0022DT [1,0,0,0,0,0|2,0,1]=4 184 B8R1.1 NC[C@@H]1CCC(=O)N1 1P001DHC [1,0,0,0,0,0|1,0,1]=3 185 B8R1.1 NC[C@@H]1CCC(N1)=O 1P01FWPM [1,0,0,0,0,0|1,0,1]=3 186 B8R1.1 NC[C@H]1CCC(=O)N1 1P001Z9Q [1,0,0,0,0,0|1,0,1]=3 187 B8R1.1 NC[C@H]1CCC(=O)N1 1P01C9T8 [1,0,0,0,0,0|1,0,1]=3 188 B8R1.1 OCC1CC(=O)CO1 1P02010B [1,0,0,0,0,0|2,0,1]=4 189 B8R1.1 OCC1CCC(=O)C1 1P01JUNL [1,0,0,0,0,0|1,0,1]=3 190 B8R1.1 OCC1CCC(=O)N1 1P003ADX [1,0,0,0,0,0|0,0,1]=2 191 B8R1.1 OCC1CCC(=O)O1 1P0036A1 [1,0,0,0,0,0|1,0,1]=3 192 B8R1.1 OCC1CNC(=O)C1 1P0034A5 [1,0,0,0,0,0|2,0,1]=4 193 B8R1.1 OCC1CNC(=O)O1 1P003MO9 [1,0,0,0,0,0|2,0,1]=4 194 B8R1.1 OCC1COC(=O)C1 1P00I7Q5 [1,0,0,0,0,0|2,0,1]=4 195 B8R1.1 OCC1COC(=O)N1 1P001OET [1,0,0,0,0,0|1,0,1]=3 196 B8R1.1 OCC1COC(=O)O1 1P0035FK [1,0,0,0,0,0|2,0,1]=4 197 B8R1.1 OC[C@@H]1CCC(=N)N1 1P02859P [1,0,0,0,0,0|1,0,1]=3 198 B8R1.1 OC[C@@H]1CCC(=O)N1 1P001ZD1 [1,0,0,0,0,0|0,0,1]=2 199 B8R1.1 OC[C@@H]1CCC(=O)O1 1P0039AG [1,0,0,0,0,0|1,0,1]=3 200 B8R1.1 OC[C@@H]1CNC(=O)C1 1P01BO9A [1,0,0,0,0,0|2,0,1]=4 201 B8R1.1 OC[C@@H]1CNC(=O)N1 1P028PHE [1,0,0,0,0,0|1,0,1]=3 202 B8R1.1 OC[C@@H]1CNC(=O)O1 1P00IKGE [1,0,0,0,0,0|2,0,1]=4 203 B8R1.1 OC[C@@H]1COC(=O)N1 1P0011GI [1,0,0,0,0,0|1,0,1]=3 204 B8R1.1 OC[C@H]1CCC(=N)N1 1P0293EB [1,0,0,0,0,0|1,0,1]=3 205 B8R1.1 OC[C@H]1CCC(=O)N1 1P003N9H [1,0,0,0,0,0|0,0,1]=2 206 B8R1.1 OC[C@H]1CCC(=O)O1 1P003CR4 [1,0,0,0,0,0|1,0,1]=3 207 B8R1.1 OC[C@H]1CNC(=O)C1 1P0099ZX [1,0,0,0,0,0|2,0,1]=4 208 B8R1.1 OC[C@H]1CNC(=O)O1 1P00IKGD [1,0,0,0,0,0|2,0,1]=4 209 B8R1.1 OC[C@H]1COC(=O)N1 1P001K7K [1,0,0,0,0,0|1,0,1]=3 210 B8R1.7 CC(=O)C1CCCC1 1P00354R [1,0,0,0,0,0|2,0,1]=4 211 B8R1.7 CC(=O)C1CCCO1 1P00C4ID [1,0,0,0,0,0|2,0,1]=4 212 B8R1.7 CC(=O)C1CNCC1 1P00H3IM [1,0,0,0,0,0|3,0,0]=4 213 B8R1.7 CC(=O)C1CNCC1 1P01EK9N [1,0,0,0,0,0|3,0,0]=4 214 B8R1.7 CC(=O)C1COCC1 1P0097RM [1,0,0,0,0,0|3,0,0]=4 215 B8R1.7 CC(=O)C1CSCC1 1P009O5F [1,0,0,0,0,0|3,0,0]=4 216 B8R1.7 CC(=O)C1NCCS1 1P002CHV [1,0,0,0,0,0|2,0,1]=4 217 B8R1.7 CC(=O)[C@@H]1CCCN1 1P00H3GI [1,0,0,0,0,0|1,0,1]=3 218 B8R1.7 CC(=O)[C@@H]1CCCO1 1P000WFC [1,0,0,0,0,0|2,0,1]=4 219 B8R1.7 CC(C1CCCN1)O 1P01C881 [1,0,0,0,0,0|1,0,2]=4 220 B8R1.7 CC([C@H]1CCCN1)O 1P01B6RO [1,0,0,0,0,0|1,0,2]=4 221 B8R1.7 C[C@@H]([C@@H]1CCCN1)O 1P01Z9O1 [1,0,0,0,0,0|1,0,2]=4 222 B8R1.7 C[C@@H]([C@@H]1CCCN1)O 1P01Z9OJ [1,0,0,0,0,0|1,0,2]=4 223 B8R1.7 ClC(=O)C1CCCC1 1P00354M [1,0,0,0,0,0|2,0,1]=4 224 B8R1.7 ClC(=O)C1CCCO1 1P00DMA3 [1,0,0,0,0,0|2,0,1]=4 225 B8R1.7 ClC(=O)C1COCC1 1P00FBU4 [1,0,0,0,0,0|3,0,0]=4 226 B8R1.7 ClC(=O)C1CSCC1 1P028ZJR [1,0,0,0,0,0|3,0,0]=4 227 B8R1.7 NC(=N)C1CCCN1 1P01A788 [1,0,0,0,0,0|2,0,1]=4 228 B8R1.7 NC(=O)C1CC=CC1 1P003PMO [1,0,0,0,0,0|2,0,1]=4 229 B8R1.7 NC(=O)C1CCCC1 1P007HJK [1,0,0,0,0,0|2,0,1]=4 230 B8R1.7 NC(=O)C1CCCN1 1P000GQT [1,0,0,0,0,0|1,0,1]=3 231 B8R1.7 NC(=O)C1CCCN1 1P00BFWF [1,0,0,0,0,0|1,0,1]=3 232 B8R1.7 NC(=O)C1CCCO1 1P003V5L [1,0,0,0,0,0|2,0,1]=4 233 B8R1.7 NC(=O)C1CNCC1 1P00EKCZ [1,0,0,0,0,0|3,0,0]=4 234 B8R1.7 NC(=O)C1COCC1 1P00H484 [1,0,0,0,0,0|3,0,0]=4 235 B8R1.7 NC(=O)C1CSCN1 1P007XN0 [1,0,0,0,0,0|2,0,1]=4 236 B8R1.7 NC(=O)[C@@H]1CCCN1 1P0035GU [1,0,0,0,0,0|1,0,1]=3 237 B8R1.7 NC(=O)[C@@H]1CCCN1 1P003D4X [1,0,0,0,0,0|1,0,1]=3 238 B8R1.7 NC(=O)[C@@H]1CCCO1 1P00DE9T [1,0,0,0,0,0|2,0,1]=4 239 B8R1.7 NC(=O)[C@@H]1CNCC1 1P000Y0B [1,0,0,0,0,0|3,0,0]=4 240 B8R1.7 NC(=O)[C@H]1CCCN1 1P006W16 [1,0,0,0,0,0|1,0,1]=3 241 B8R1.7 NC(=O)[C@H]1CCCN1 1P00IBKU [1,0,0,0,0,0|1,0,1]=3 242 B8R1.7 NC(=O)[C@H]1CNCC1 1P000XF1 [1,0,0,0,0,0|3,0,0]=4 243 B8R1.7 OC(=O)C1=CCCC1 1P001OVH [1,0,0,0,0,0|1,0,2]=4 244 B8R1.7 OC(=O)C1=COCC1 1P00IKH9 [1,0,0,0,0,0|2,0,1]=4 245 B8R1.7 OC(=O)C1=NOCC1 1P01AG5J [1,0,0,0,0,0|1,0,2]=4 246 B8R1.7 OC(=O)C1CC=CC1 1P003JTD [1,0,0,0,0,0|1,0,1]=3 247 B8R1.7 OC(=O)C1CCC=C1 1P002NU7 [1,0,0,0,0,0|1,0,0]=2 248 B8R1.7 OC(=O)C1CCCC1 1P003PN2 [1,0,0,0,0,0|1,0,1]=3 249 B8R1.7 OC(=O)C1CCCN1 1P003QB6 [1,0,0,0,0,0|0,0,1]=2 250 B8R1.7 OC(=O)C1CCCN1 1P019VB2 [1,0,0,0,0,0|0,0,1]=2 251 B8R1.7 OC(=O)C1CCCO1 1P001YQG [1,0,0,0,0,0|1,0,1]=3 252 B8R1.7 OC(=O)C1CCCS1 1P00ARL8 [1,0,0,0,0,0|1,0,1]=3 253 B8R1.7 OC(=O)C1CCNO1 1P01EKGI [1,0,0,0,0,0|2,0,0]=3 254 B8R1.7 OC(=O)C1CNCC1 1P003KD1 [1,0,0,0,0,0|2,0,0]=3 255 B8R1.7 OC(=O)C1CNCC1 1P00661O [1,0,0,0,0,0|2,0,0]=3 256 B8R1.7 OC(=O)C1COCC1 1P00GSP3 [1,0,0,0,0,0|2,0,0]=3 257 B8R1.7 OC(=O)C1COCN1 1P001TF6 [1,0,0,0,0,0|1,0,1]=3 258 B8R1.7 OC(=O)C1CSCC1 1P00B6RR [1,0,0,0,0,0|2,0,0]=3 259 B8R1.7 OC(=O)C1CSCN1 1P002UJX [1,0,0,0,0,0|1,0,1]=3 260 B8R1.7 OC(=O)C1CSSC1 1P00BFH2 [1,0,0,0,0,0|3,0,0]=4 261 B8R1.7 OC(=O)C1NCC=C1 1P003IW1 [1,0,0,0,0,0|2,0,0]=3 262 B8R1.7 OC(=O)C1NCC=C1 1P01EMGG [1,0,0,0,0,0|2,0,0]=3 263 B8R1.7 OC(=O)C1NCCS1 1P001U81 [1,0,0,0,0,0|1,0,1]=3 264 B8R1.7 OC(=O)C1OCC=C1 1P00BDV6 [1,0,0,0,0,0|2,0,0]=3 265 B8R1.7 OC(=O)C1OCCO1 1P01I7AE [1,0,0,0,0,0|2,0,1]=4 266 B8R1.7 OC(=O)C1SCC=C1 1P01GC5N [1,0,0,0,0,0|2,0,0]=3 267 B8R1.7 OC(=O)C1SCCS1 1P00DW6Q [1,0,0,0,0,0|2,0,1]=4 268 B8R1.7 OC(=O)[C@@H]1CCCN1 1P0035JG [1,0,0,0,0,0|0,0,1]=2 269 B8R1.7 OC(=O)[C@@H]1CCCN1 1P005891 [1,0,0,0,0,0|0,0,1]=2 270 B8R1.7 OC(=O)[C@@H]1CCCO1 1P0032WH [1,0,0,0,0,0|1,0,1]=3 271 B8R1.7 OC(=O)[C@@H]1CNCC1 1P003CYR [1,0,0,0,0,0|2,0,0]=3 272 B8R1.7 OC(=O)[C@@H]1CNCC1 1P008UVS [1,0,0,0,0,0|2,0,0]=3 273 B8R1.7 OC(=O)[C@@H]1COCC1 1P001YHV [1,0,0,0,0,0|2,0,0]=3 274 B8R1.7 OC(=O)[C@@H]1COCN1 1P003D4U [1,0,0,0,0,0|1,0,1]=3 275 B8R1.7 OC(=O)[C@@H]1CSCN1 1P0035JH [1,0,0,0,0,0|1,0,1]=3 276 B8R1.7 OC(=O)[C@@H]1NCC=C1 1P00E9QJ [1,0,0,0,0,0|2,0,0]=3 277 B8R1.7 OC(=O)[C@H]1CCCN1 1P00359V [1,0,0,0,0,0|0,0,1]=2 278 B8R1.7 OC(=O)[C@H]1CCCO1 1P0032US [1,0,0,0,0,0|1,0,1]=3 279 B8R1.7 OC(=O)[C@H]1CNCC1 1P003CK9 [1,0,0,0,0,0|2,0,0]=3 280 B8R1.7 OC(=O)[C@H]1CNCC1 1P008UR5 [1,0,0,0,0,0|2,0,0]=3 281 B8R1.7 OC(=O)[C@H]1COCC1 1P00FBCC [1,0,0,0,0,0|2,0,0]=3 282 B8R1.7 OC(=O)[C@H]1CSCN1 1P00I8ZG [1,0,0,0,0,0|1,0,1]=3 283 B8R1.7 OC(=O)[C@H]1NCC=C1 1P002DVL [1,0,0,0,0,0|2,0,0]=3 284 B8R1.7 OC(=O)[C@H]1NCC=C1 1P003IW2 [1,0,0,0,0,0|2,0,0]=3 285 B8R1.7 OC(=O)c1ccc[nH]1 1P00360N [1,0,0,0,0,0|0,0,3]=4 286 B8R1.7 OC(=O)c1ncc[nH]1 1P00338H [1,0,0,0,0,0|1,0,2]=4 287 B8R1.7 [O-]C(=O)[C@@H]1CCCN1 1P00AQX8 [1,0,0,0,0,0|0,0,2]=3 288 B10R1.14 COC(=O)C1=CC(=O)CC1 1P009NEQ [0,1,0,0,0,0|1,0,1]=3 289 B10R1.14 COC(=O)C1CC(=O)CO1 1P01EC4Q [0,1,0,0,0,0|2,0,0]=3 290 B10R1.14 COC(=O)C1CCC(=N1)C 1P028F5T [0,1,0,0,0,0|1,0,1]=3 291 B10R1.14 COC(=O)C1CCC(=O)C1 1P00C7M8 [0,1,0,0,0,0|1,0,0]=2 292 B10R1.14 COC(=O)C1CCC(=O)N1 1P00DEJN [0,1,0,0,0,0|0,0,0]=1 293 B10R1.14 COC(=O)C1CCC(=O)O1 1P00CJG6 [0,1,0,0,0,0|1,0,0]=2 294 B10R1.14 COC(=O)C1CCC(=S)N1 1P00GLE3 [0,1,0,0,0,0|0,1,0]=2 295 B10R1.14 COC(=O)C1CCC(C1)Br 1P000W21 [0,1,0,0,0,0|2,0,1]=4 296 B10R1.14 COC(=O)C1CCC(C1)F 1P01BVFW [0,1,0,0,0,0|2,0,1]=4 297 B10R1.14 COC(=O)C1CCC(C1)N 1P001C71 [0,1,0,0,0,0|2,0,1]=4 298 B10R1.14 COC(=O)C1CCC(C1)N 1P00BJDD [0,1,0,0,0,0|2,0,1]=4 299 B10R1.14 COC(=O)C1CCC(C1)O 1P00CJ9D [0,1,0,0,0,0|1,0,2]=4 300 B10R1.14 COC(=O)C1CCN(C1)C 1P00CLQU [0,1,0,0,0,0|3,0,0]=4 301 B10R1.14 COC(=O)C1CNC(=N)C1 1P024H5O [0,1,0,0,0,0|3,0,0]=4 302 B10R1.14 COC(=O)C1CNC(=O)C1 1P0035OU [0,1,0,0,0,0|2,0,0]=3 303 B10R1.14 COC(=O)C1CNC(=O)N1 1P01A1R4 [0,1,0,0,0,0|1,0,0]=2 304 B10R1.14 COC(=O)C1CNC(=O)O1 1P00B5AK [0,1,0,0,0,0|2,0,0]=3 305 B10R1.14 COC(=O)C1COC(=O)N1 1P01ANQX [0,1,0,0,0,0|1,0,0]=2 306 B10R1.14 COC(=O)C1CSC(=N1)C 1P01KL5W [0,1,0,0,0,0|2,0,1]=4 307 B10R1.14 COC(=O)C1CSC(N1)C 1P028ROT [0,1,0,0,0,0|2,0,1]=4 308 B10R1.14 COC(=O)C1SCC(=C1)C 1P02804M [0,1,0,0,0,0|3,0,0]=4 309 B10R1.14 COC(=O)N1CCC(=O)C1 1P00FGTD [0,1,0,0,0,0|2,0,0]=3 310 B10R1.14 COC(=O)[C@@H]1CC(=C)CN1 1P01BU6S [0,1,0,0,0,0|3,0,0]=4 311 B10R1.14 COC(=O)[C@@H]1CC(=O)CN1 1P02879W [0,1,0,0,0,0|2,0,0]=3 312 B10R1.14 COC(=O)[C@@H]1CCC(=N1)N 1P028OSA [0,1,0,0,0,0|1,0,1]=3 313 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 1P0010LX [0,1,0,0,0,0|1,0,0]=2 314 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 1P003SHJ [0,1,0,0,0,0|0,0,0]=1 315 B10R1.14 COC(=O)[C@@H]1CCC(=O)O1 1P007QV3 [0,1,0,0,0,0|1,0,0]=2 316 B10R1.14 COC(=O)[C@@H]1CCC(=S)N1 1P00GLE2 [0,1,0,0,0,0|0,1,0]=2 317 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)N 1P00228C [0,1,0,0,0,0|2,0,1]=4 318 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)O 1P002014 [0,1,0,0,0,0|1,0,2]=4 319 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)C 1P00AF41 [0,1,0,0,0,0|2,0,1]=4 320 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)N 1P003AU9 [0,1,0,0,0,0|2,0,1]=4 321 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)O 1P00GADQ [0,1,0,0,0,0|1,0,2]=4 322 B10R1.14 COC(=O)[C@@H]1CNC(=O)C1 1P00D8C5 [0,1,0,0,0,0|2,0,0]=3 323 B10R1.14 COC(=O)[C@@H]1COC(=O)N1 1P00A8KW [0,1,0,0,0,0|1,0,0]=2 324 B10R1.14 COC(=O)[C@H]1CCC(=N1)N 1P028OAI [0,1,0,0,0,0|1,0,1]=3 325 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 1P0010LW [0,1,0,0,0,0|1,0,0]=2 326 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 1P003RZO [0,1,0,0,0,0|0,0,0]=1 327 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)N 1P0096TT [0,1,0,0,0,0|2,0,1]=4 328 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)O 1P00ARLB [0,1,0,0,0,0|1,0,2]=4 329 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)N 1P00ASTM [0,1,0,0,0,0|2,0,1]=4 330 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)O 1P00GADR [0,1,0,0,0,0|1,0,2]=4 331 B10R1.14 COC(=O)[C@H]1CC[C@H](O1)C 1P01AMHA [0,1,0,0,0,0|2,0,1]=4 332 B10R1.14 COC(=O)[C@H]1CNC(=O)C1 1P00E6F5 [0,1,0,0,0,0|2,0,0]=3 333 B10R1.14 COC(=O)[C@H]1COC(=O)N1 1P00AOOJ [0,1,0,0,0,0|1,0,0]=2 334 B10R1.14 COC(=O)c1c[nH]c(=O)[nH]1 1P002KH9 [0,1,0,0,0,0|1,0,2]=4 335 B10R1.14 COC(=O)c1csc(=O)[nH]1 1P01FZ3K [0,1,0,0,0,0|1,0,2]=4 336 B10R1.14 COC(=O)c1n[nH]c(=O)[nH]1 1P00EKHT [0,1,0,0,0,0|2,0,1]=4 337 B10R1.14 NNC(=O)C1CCC(=O)N1 1P00JK6Y [0,1,0,0,0,0|1,0,0]=2 338 B10R1.14 NNC(=O)C1CNC(=O)C1 1P0097K8 [0,1,0,0,0,0|3,0,0]=4 339 B10R1.31 C#C[C@H]1CC[C@H](N1)C(=O)O 1P027YIA [0,1,0,0,0,0|1,0,1]=3 340 B10R1.31 CCC1CCC(C1)C(=O)O 1P028ZQN [0,1,0,0,0,0|2,0,1]=4 341 B10R1.31 CCC1CCC(N1)C(=O)O 1P01C5LJ [0,1,0,0,0,0|1,0,1]=3 342 B10R1.31 CCC1CCC(O1)C(=O)O 1P00G93V [0,1,0,0,0,0|2,0,1]=4 343 B10R1.31 CCN1CCC(C1)C(=O)O 1P00DDBS [0,1,0,0,0,0|3,0,0]=4 344 B10R1.31 CCN1CCC(C1)C(=O)O 1P0282QZ [0,1,0,0,0,0|3,0,0]=4 345 B10R1.31 CC[C@@H]1CC[C@@H](O1)C(=O)O 1P028D15 [0,1,0,0,0,0|2,0,1]=4 346 B10R1.31 COC1CCC(C1)C(=O)O 1P01B5TX [0,1,0,0,0,0|1,0,2]=4 347 B10R1.31 N#CC1CCC(C1)C(=O)O 1P020LED [0,1,0,0,0,0|2,0,1]=4 348 B10R1.31 O=Cc1ccc([nH]1)C(=O)O 1P005WAG [0,1,0,0,0,0|0,0,3]=4 349 B10R1.31 O=NN1CCC(C1)C(=O)O 1P028BIU [0,1,0,0,0,0|2,0,0]=3 350 B10R1.55 FC(C1CCC(=O)N1)(F)F 1P019SAX [0,1,0,0,0,0|2,0,1]=4 351 B10R1.55 FC([C@@H]1CCC(=O)N1)(F)F 1P009Y94 [0,1,0,0,0,0|2,0,1]=4 352 B10R1.55 FC([C@H]1CCC(=O)N1)(F)F 1P019CSK [0,1,0,0,0,0|2,0,1]=4 353 B10R1.55 O=C1CCC(C1)P(=O)(C)C 1P028LB7 [0,1,0,0,0,0|3,0,0]=4 354 B10R1.55 O=C1CCC(C1)S(=O)(=O)C 1P0249BC [0,1,0,0,0,0|2,0,1]=4 355 B10R1.58 F[C@@H]1CC(C[C@@H]1F)C(=O)O 1P0201AR [0,1,0,0,0,0|2,0,1]=4 356 B10R1.58 F[C@@H]1CC(C[C@H]1O)C(=O)O 1P028OKJ [0,1,0,0,0,0|1,0,2]=4 357 B10R1.58 NC(=O)C1CC(=O)N(C1)C 1P00GSE8 [0,1,0,0,0,0|3,0,0]=4 358 B10R1.58 OC(=O)C1CC(=C(C1)C)C 1P01X8B5 [0,1,0,0,0,0|2,0,1]=4 359 B10R1.58 OC(=O)C1CC(=O)N(C1)C 1P003EY4 [0,1,0,0,0,0|2,0,0]=3 360 B10R1.58 OC(=O)C1CC(=O)N(C1)O 1P01Q8BL [0,1,0,0,0,0|2,0,0]=3 361 B10R1.58 OC(=O)C1NC(=O)N(C1)C 1P01C3ZW [0,1,0,0,0,0|1,0,0]=2 362 B10R1.58 OC(=O)[C@@H]1CC(=O)N(C1)C 1P0209BD [0,1,0,0,0,0|2,0,0]=3 363 B10R1.58 OC(=O)[C@@H]1CN([C@@H](C1)C)C 1P028NYF [0,1,0,0,0,0|3,0,0]=4 364 B10R1.58 OC(=O)[C@@H]1NC(=O)N(C1)C 1P02911K [0,1,0,0,0,0|1,0,0]=2 365 B10R1.58 OC(=O)[C@H]1NC(=O)N(C1)C 1P01FMHH [0,1,0,0,0,0|1,0,0]=2 366 B10R1.58 OC(=O)[C@H]1NC(=O)[C@@H](C1)F 1P00BG73 [0,1,0,0,0,0|0,0,0]=1 367 B10R1.58 OC(=O)c1cn(c(=O)[nH]1)C 1P007WC4 [0,1,0,0,0,0|1,0,2]=4 368 B10R1.58 O[C@@H]1C[C@@H](C[C@@H]1N)C(=O)O 1P0283FB [0,1,0,0,0,0|1,0,2]=4 369 B10R1.58 O[C@@H]1C[C@H](C[C@H]1N)C(=O)O 1P028018 [0,1,0,0,0,0|1,0,2]=4 370 B10R1.58 O[C@H]1C[C@H](C[C@H]1N)C(=O)O 1P028W6E [0,1,0,0,0,0|1,0,2]=4 371 B10R1.59 CC1CC(C(O1)C(=O)O)C 1P01BHX3 [0,1,0,0,0,0|2,0,1]=4 372 B10R1.59 CN1CC(C(C1)C(=O)O)C 1P01BCZW [0,1,0,0,0,0|3,0,0]=4 373 B10R1.59 O=C1CC(C(N1)C(=O)O)C 1P00BJZD [0,1,0,0,0,0|0,0,0]=1 374 B10R1.59 O=C1C[C@H]([C@@H](N1)C(C)C)N 1P028YNP [0,1,0,0,0,0|2,0,1]=4 375 B10R1.59 O=C1NC(=O)C(N1)C(=O)N 1P01C125 [0,1,0,0,0,0|2,0,1]=4 376 B10R1.59 O=C1OC(C(N1)C(=O)O)C 1P000JCH [0,1,0,0,0,0|1,0,0]=2 377 B10R1.59 O=C1O[C@@H]([C@H](N1)C(=O)O)C 1P01PEUN [0,1,0,0,0,0|1,0,0]=2 378 B10R1.59 OC(=O)c1[nH]c(=O)[nH]c1C 1P0004D1 [0,1,0,0,0,0|1,0,2]=4 379 B10R1.194 CN1CCC(C1=O)C(=O)O 1P00325U [0,1,0,0,0,0|3,0,0]=4 380 B10R1.194 CN1CCC(C1C)C(=O)O 1P01BE2J [0,1,0,0,0,0|3,0,0]=4 381 B10R1.194 NC(=O)C1CCC(=O)N1C 1P028U3I [0,1,0,0,0,0|1,0,0]=2 382 B10R1.194 OC(=O)C1CCC(=O)N1C 1P00FHPI [0,1,0,0,0,0|0,0,0]=1 383 B10R1.194 OC(=O)C1CNC(=O)N1C 1P01B7CF [0,1,0,0,0,0|1,0,0]=2 384 B10R1.194 OC(=O)C1COC(=O)C1C 1P00GVVG [0,1,0,0,0,0|2,0,0]=3 385 B10R1.194 OC(=O)C1COC(=O)N1C 1P01C0UC [0,1,0,0,0,0|1,0,0]=2 386 B10R1.194 OC(=O)[C@@H]1CCC(=O)N1C 1P00DLN8 [0,1,0,0,0,0|0,0,0]=1 387 B10R1.194 OC(=O)[C@@H]1CNC(=O)N1C 1P01A6J7 [0,1,0,0,0,0|1,0,0]=2 388 B10R1.194 OC(=O)[C@H]1CCC(=O)N1C 1P01BS2L [0,1,0,0,0,0|0,0,0]=1 389 B10R1.194 OC(=O)c1c[nH]c(=O)n1C 1P00ADJT [0,1,0,0,0,0|1,0,2]=4 390 B10R1.359 CC(=O)C1CCS(=O)(=O)C1 1P01ADEU [0,1,0,0,0,0|3,0,0]=4 391 B10R1.359 ClC(=O)C1CCS(=O)(=O)C1 1P02011G [0,1,0,0,0,0|3,0,0]=4 392 B10R1.359 OC(=O)C1CCC(C1)(C)C 1P00FPV7 [0,1,0,0,0,0|2,0,1]=4 393 B10R1.359 OC(=O)C1CCC(C1)(F)F 1P000S14 [0,1,0,0,0,0|2,0,1]=4 394 B10R1.359 OC(=O)C1CCC(N1)(C)C 1P01AG1Z [0,1,0,0,0,0|1,0,1]=3 395 B10R1.359 OC(=O)C1CCC(O1)(C)C 1P01BFVW [0,1,0,0,0,0|2,0,1]=4 396 B10R1.359 OC(=O)C1CCS(=O)(=O)C1 1P006Z50 [0,1,0,0,0,0|2,0,0]=3 397 B10R1.359 OC(=O)C1CCS(=O)(=O)N1 1P000FIK [0,1,0,0,0,0|1,0,0]=2 398 B10R1.359 OC(=O)C1CC[Si](C1)(C)C 1P01XLPX [0,1,0,0,0,0|2,1,0]=4 399 B10R1.359 OC(=O)C1CSC(N1)(C)C 1P00C8LB [0,1,0,0,0,0|2,0,1]=4 400 B10R1.359 OC(=O)C1CSC(N1)(C)C 1P00CVYL [0,1,0,0,0,0|2,0,1]=4 401 B10R1.359 OC(=O)[C@@H]1CCC(C1)(F)F 1P00HUGI [0,1,0,0,0,0|2,0,1]=4 402 B10R1.359 OC(=O)[C@@H]1CCC(N1)(C)C 1P001EY4 [0,1,0,0,0,0|1,0,1]=3 403 B10R1.359 OC(=O)[C@@H]1CSC(N1)(C)C 1P00FE7U [0,1,0,0,0,0|2,0,1]=4 404 B10R1.359 OC(=O)[C@@H]1CSC(N1)(C)C 1P01GK98 [0,1,0,0,0,0|2,0,1]=4 405 B10R1.359 OC(=O)[C@H]1CCC(C1)(F)F 1P001D94 [0,1,0,0,0,0|2,0,1]=4 406 B10R1.470 CC1(CCC(=O)N1)C(=S)N 1P028H65 [0,1,0,0,0,0|1,1,0]=3 407 B10R1.470 CC1CCC(C1)(C)C(=O)O 1P01A1N3 [0,1,0,0,0,0|2,0,1]=4 408 B10R1.470 CC1CCC(C1)(N)C(=O)O 1P01FIWZ [0,1,0,0,0,0|2,0,1]=4 409 B10R1.470 CN1CCC(C1)(C)C(=O)O 1P003ASP [0,1,0,0,0,0|3,0,0]=4 410 B10R1.470 CN1CCC(C1)(C)C(=O)O 1P028290 [0,1,0,0,0,0|3,0,0]=4 411 B10R1.470 CN1CCC(C1)(F)C(=O)O 1P0193V9 [0,1,0,0,0,0|3,0,0]=4 412 B10R1.470 NC1CCC(C1)(C)C(=O)O 1P01ELVR [0,1,0,0,0,0|2,0,1]=4 413 B10R1.470 NC1CCC(C1)(F)C(=O)O 1P01B8NW [0,1,0,0,0,0|2,0,1]=4 414 B10R1.470 O=C1CCC(C1)(C)C(=O)O 1P01AF0U [0,1,0,0,0,0|1,0,0]=2 415 B10R1.470 O=C1CCC(N1)(C)C(=O)O 1P01BDWE [0,1,0,0,0,0|0,0,0]=1 416 B10R1.470 O=C1CCC(O1)(C)C(=O)O 1P01GJ0J [0,1,0,0,0,0|1,0,0]=2 417 B10R1.470 O=C1CC[C@@](N1)(C)C(=O)O 1P00B9WH [0,1,0,0,0,0|0,0,0]=1 418 B10R1.470 O=C1CC[C@](N1)(C)C(=O)O 1P01JUJQ [0,1,0,0,0,0|0,0,0]=1 419 B10R1.470 O=C1NCC(C1)(C)C(=O)O 1P00VVRA [0,1,0,0,0,0|2,0,0]=3 420 B10R1.470 O=C1NCC(N1)(C)C(=O)O 1P028PE6 [0,1,0,0,0,0|1,0,0]=2 421 B10R1.470 O=C1OCC(C1)(C)C(=O)O 1P028OIW [0,1,0,0,0,0|2,0,0]=3 422 B10R1.470 O=C1OCC(N1)(C)C(=O)O 1P028FOX [0,1,0,0,0,0|1,0,0]=2 423 B8R0.8 CC#CCC(C(=O)O)N 1P01ACND [0,0,1,0,0,0|1,0,2]=4 424 B8R0.8 CC#CCC(C(=O)O)N 1P01AFIW [0,0,1,0,0,0|1,0,2]=4 425 B8R0.8 CC#CC[C@@H](C(=O)O)N 1P00BFXZ [0,0,1,0,0,0|1,0,2]=4 426 B8R0.8 CC(C(=O)O)CCCC 1P00704O [0,0,1,0,0,0|2,0,1]=4 427 B8R0.8 CC(C(=O)O)CCCN 1P01A3FH [0,0,1,0,0,0|2,0,1]=4 428 B8R0.8 CC(C(=O)O)CCOC 1P019Q7O [0,0,1,0,0,0|3,0,0]=4 429 B8R0.8 CC(C(=O)O)C\C=C\C 1P028ZME [0,0,1,0,0,0|2,0,1]=4 430 B8R0.8 CC(C(=O)O)OCC=C 1P019YF6 [0,0,1,0,0,0|3,0,0]=4 431 B8R0.8 CC(C(=O)O)SCC=C 1P00DD1O [0,0,1,0,0,0|3,0,0]=4 432 B8R0.8 CCCCC(C(=O)O)Br 1P003H8L [0,0,1,0,0,0|2,0,1]=4 433 B8R0.8 CCCCC(C(=O)O)F 1P01FNJ3 [0,0,1,0,0,0|2,0,1]=4 434 B8R0.8 CCCCC(C(=O)O)O 1P003HW9 [0,0,1,0,0,0|2,0,1]=4 435 B8R0.8 CCCC[C@@H](C(=O)N)N 1P0068VS [0,0,1,0,0,0|2,0,1]=4 436 B8R0.8 CCCC[C@@H](C(=O)O)N 1P00I6OO [0,0,1,0,0,0|1,0,1]=3 437 B8R0.8 CCCC[C@H](C(=O)O)N 1P00I6ON [0,0,1,0,0,0|1,0,1]=3 438 B8R0.8 CCOC[C@H](C(=O)O)N 1P01BD12 [0,0,1,0,0,0|2,0,1]=4 439 B8R0.8 COCCC(C(=O)N)N 1P01A582 [0,0,1,0,0,0|3,0,0]=4 440 B8R0.8 COCCC(C(=O)O)N 1P00DCXN [0,0,1,0,0,0|2,0,0]=3 441 B8R0.8 CSCCC(C(=O)O)N 1P00359K [0,0,1,0,0,0|2,0,0]=3 442 B8R0.8 CSCCC(C(=O)O)N 1P004G2K [0,0,1,0,0,0|2,0,0]=3 443 B8R0.8 CSCCC(C(=O)O)O 1P003HUT [0,0,1,0,0,0|3,0,0]=4 444 B8R0.8 CSCC[C@@H](C(=O)N)N 1P001SPT [0,0,1,0,0,0|3,0,0]=4 445 B8R0.8 CSCC[C@@H](C(=O)N)N 1P00DADS [0,0,1,0,0,0|3,0,0]=4 446 B8R0.8 CSCC[C@@H](C(=O)O)N 1P0035KJ [0,0,1,0,0,0|2,0,0]=3 447 B8R0.8 CSCC[C@H](C(=O)O)N 1P003RAV [0,0,1,0,0,0|2,0,0]=3 448 B8R0.8 CSSC[C@@H](C(=O)O)N 1P028TZZ [0,0,1,0,0,0|3,0,0]=4 449 B8R0.8 C[C@@H](C(=O)O)CCC=C 1P0292TP [0,0,1,0,0,0|2,0,0]=3 450 B8R0.8 C[C@H](C(=O)O)CCCBr 1P028I05 [0,0,1,0,0,0|2,0,1]=4 451 B8R0.8 C[Se]CCC(C(=O)O)N 1P001EFS [0,0,1,0,0,0|2,0,0]=3 452 B8R0.8 C[Se]CC[C@@H](C(=O)O)N 1P0038IP [0,0,1,0,0,0|2,0,0]=3 453 B8R0.8 C\C=C\CC(C(=O)O)N 1P028IYW [0,0,1,0,0,0|1,0,1]=3 454 B8R0.8 NC(C(=O)N)CCC=C 1P01JMUL [0,0,1,0,0,0|2,0,0]=3 455 B8R0.8 NC(C(=O)O)CCC#C 1P01JN5C [0,0,1,0,0,0|1,0,1]=3 456 B8R0.8 NC(C(=O)O)CCC#C 1P01SQFN [0,0,1,0,0,0|1,0,1]=3 457 B8R0.8 NC(C(=O)O)CCC=C 1P007E72 [0,0,1,0,0,0|1,0,0]=2 458 B8R0.8 NC(C(=O)O)CCC=C 1P01AD07 [0,0,1,0,0,0|1,0,0]=2 459 B8R0.8 NC(C(=O)O)CCCF 1P028WMJ [0,0,1,0,0,0|1,0,1]=3 460 B8R0.8 NC(C(=O)O)CCCN 1P00BCW6 [0,0,1,0,0,0|1,0,1]=3 461 B8R0.8 NC(C(=O)O)CCCN 1P00HBCP [0,0,1,0,0,0|1,0,1]=3 462 B8R0.8 NCCC[C@@H](C(=O)O)N 1P003RTT [0,0,1,0,0,0|1,0,1]=3 463 B8R0.8 NOCC[C@@H](C(=O)O)N 1P01EIRJ [0,0,1,0,0,0|2,0,0]=3 464 B8R0.8 N[C@@H](C(=O)O)CCC#C 1P002LLA [0,0,1,0,0,0|1,0,1]=3 465 B8R0.8 N[C@@H](C(=O)O)CCC#C 1P02937K [0,0,1,0,0,0|1,0,1]=3 466 B8R0.8 N[C@@H](C(=O)O)CCC=C 1P008ZPZ [0,0,1,0,0,0|1,0,0]=2 467 B8R0.8 N[C@@H](C(=O)O)CCCN 1P0039DT [0,0,1,0,0,0|1,0,1]=3 468 B8R0.8 N[C@H](C(=O)O)CCC#C 1P005U59 [0,0,1,0,0,0|1,0,1]=3 469 B8R0.8 N[C@H](C(=O)O)CCC#C 1P01X1CK [0,0,1,0,0,0|1,0,1]=3 470 B8R0.8 N[C@H](C(=O)O)CCC=C 1P006G8O [0,0,1,0,0,0|1,0,0]=2 471 B8R0.8 N[C@H](C(=O)O)CCCCl 1P028N8J [0,0,1,0,0,0|1,0,1]=3 472 B8R0.8 N[C@H](C(=O)O)CCCN 1P00378H [0,0,1,0,0,0|1,0,1]=3 473 B8R0.8 N[C@H](C(=O)O)CCCN 1P00IB4Y [0,0,1,0,0,0|1,0,1]=3 474 B8R0.8 OC(=O)C(=O)CCC=C 1P01B9F3 [0,0,1,0,0,0|2,0,1]=4 475 B8R0.8 OC(C(=O)O)CCC#C 1P0288P6 [0,0,1,0,0,0|2,0,1]=4 476 B8R0.8 OCCC[C@@H](C(=O)O)N 1P003D1M [0,0,1,0,0,0|0,0,2]=3 477 B8R0.8 OCCC[C@H](C(=O)O)N 1P01B7SX [0,0,1,0,0,0|0,0,2]=3 478 B8R0.8 [13CH3]SCC[C@H](C(=O)O)N 1P00DCXY [0,0,1,0,0,0|2,0,0]=3 479 B8R0.8 [N-]=[N+]=NCC(C(=O)O)N 1P028JUE [0,0,1,0,0,0|3,0,0]=4 480 B8R0.8 [N-]=[N+]=NC[C@H](C(=O)O)N 1P007WX8 [0,0,1,0,0,0|3,0,0]=4 481 B8R0.8 [N-]=[N+]=NC[C@H](C(=O)O)N 1P01JN4C [0,0,1,0,0,0|3,0,0]=4 482 B8R0.9 CC(=O)NNC(=O)CBr 1P009CXB [0,0,1,0,0,0|3,0,0]=4 483 B8R0.9 CC(=O)NNC(=O)CCl 1P00D6DM [0,0,1,0,0,0|3,0,0]=4 484 B8R0.9 CC(CC)CCC(=O)O 1P001OZD [0,0,1,0,0,0|2,0,1]=4 485 B8R0.9 CC(NCC(=O)O)CC 1P019UYV [0,0,1,0,0,0|1,0,1]=3 486 B8R0.9 CC(OCC(=O)O)CC 1P01A2G6 [0,0,1,0,0,0|2,0,1]=4 487 B8R0.9 CCC(=O)CCC(=O)C 1P00AQ9U [0,0,1,0,0,0|2,0,0]=3 488 B8R0.9 CCC(=O)CCC(=O)O 1P007SOU [0,0,1,0,0,0|1,0,0]=2 489 B8R0.9 CCC(=O)NC=C(Cl)Cl 1P019YNT [0,0,1,0,0,0|2,0,1]=4 490 B8R0.9 CCC(=O)NCC(=O)O 1P00C2I8 [0,0,1,0,0,0|0,0,0]=1 491 B8R0.9 CCC(=O)NCC(C)C 1P00EKOT [0,0,1,0,0,0|2,0,1]=4 492 B8R0.9 CCC(CCC(=O)O)N 1P00JEB8 [0,0,1,0,0,0|2,0,1]=4 493 B8R0.9 CCS(=O)CCC(=O)O 1P0013NZ [0,0,1,0,0,0|2,0,0]=3 494 B8R0.9 CN(CC)CCC(=O)O 1P00J2A1 [0,0,1,0,0,0|3,0,0]=4 495 B8R0.9 CNC(=O)CCC(=O)O 1P00DCJ1 [0,0,1,0,0,0|2,0,0]=3 496 B8R0.9 CNC(=O)NCC(=O)O 1P019N6K [0,0,1,0,0,0|1,0,0]=2 497 B8R0.9 CNC(=O)\C=C/C(=O)O 1P003TOL [0,0,1,0,0,0|2,0,1]=4 498 B8R0.9 COC(=O)CCC(=O)C 1P003SHF [0,0,1,0,0,0|3,0,0]=4 499 B8R0.9 COC(=O)CCC(=O)Cl 1P003SBL [0,0,1,0,0,0|3,0,0]=4 500 B8R0.9 COC(=O)CCC(=O)N 1P0035PS [0,0,1,0,0,0|3,0,0]=4 501 B8R0.9 COC(=O)CCC(=O)O 1P003801 [0,0,1,0,0,0|2,0,0]=3 502 B8R0.9 COC(=O)NCC(=O)O 1P003SVE [0,0,1,0,0,0|1,0,0]=2 503 B8R0.9 COC(=O)\C=C/C(=O)O 1P0030VV [0,0,1,0,0,0|2,0,1]=4 504 B8R0.9 COC(=O)\C=C\C(=O)O 1P002UJ4 [0,0,1,0,0,0|2,0,1]=4 505 B8R0.9 C\C(=C/CC(=O)O)\CC 1P00DKVF [0,0,1,0,0,0|2,0,0]=3 506 B8R0.9 NC(=O)CNC(=O)C=C 1P002PWB [0,0,1,0,0,0|1,0,2]=4 507 B8R0.9 NCC(=O)CCC(=O)O 1P0036A6 [0,0,1,0,0,0|2,0,0]=3 508 B8R0.9 NCC(=O)CCC(=O)O 1P004JJP [0,0,1,0,0,0|2,0,0]=3 509 B8R0.9 NCC(=O)CCC(=O)O 1P00HB7B [0,0,1,0,0,0|2,0,0]=3 510 B8R0.9 NCC(=O)NCC(=O)O 1P000V5I [0,0,1,0,0,0|1,0,0]=2 511 B8R0.9 NCC(=O)NCC(=O)O 1P003944 [0,0,1,0,0,0|1,0,0]=2 512 B8R0.9 NCC(=O)NCC(=O)O 1P00BCV0 [0,0,1,0,0,0|1,0,0]=2 513 B8R0.9 NNC(=O)CCC(=O)O 1P002FL8 [0,0,1,0,0,0|3,0,0]=4 514 B8R0.9 OC(=O)CCC(=O)CBr 1P001E0A [0,0,1,0,0,0|2,0,0]=3 515 B8R0.9 OC(=O)CNC(=O)C#C 1P019XV1 [0,0,1,0,0,0|0,0,2]=3 516 B8R0.9 OC(=O)CNC(=O)C=C 1P002P5E [0,0,1,0,0,0|0,0,2]=3 517 B8R0.9 OC(=O)CNC(=O)CCl 1P003TD1 [0,0,1,0,0,0|1,0,0]=2 518 B8R0.9 OCC(=O)OCC(=O)O 1P028H7U [0,0,1,0,0,0|2,0,0]=3 519 B8R0.9 OCP(=O)CCC(=O)O 1P001NED [0,0,1,0,0,0|3,0,0]=4 520 B8R0.9 ONC(=O)CCC(=O)O 1P00DYWH [0,0,1,0,0,0|3,0,0]=4 521 B8R0.15 CCC(C(=O)O)CC=C 1P01NFWM [0,0,1,0,0,0|2,0,0]=3 522 B8R0.15 CCCC(C(=O)O)CC 1P0028M8 [0,0,1,0,0,0|2,0,1]=4 523 B8R0.15 CCNC(C(=O)O)CC 1P01FIX6 [0,0,1,0,0,0|1,0,1]=3 524 B8R0.15 CCN[C@@H](C(=O)O)CO 1P01H2BZ [0,0,1,0,0,0|2,0,1]=4 525 B8R0.15 CCN[C@H](C(=O)O)CO 1P004THO [0,0,1,0,0,0|2,0,1]=4 526 B8R0.15 CCOC(C(=O)O)CC 1P019XQM [0,0,1,0,0,0|2,0,1]=4 527 B8R0.15 COC(C(=O)O)CC=C 1P027Y0Q [0,0,1,0,0,0|3,0,0]=4 528 B8R0.15 COCC(C(=O)O)CC 1P028ZFG [0,0,1,0,0,0|3,0,0]=4 529 B8R0.15 NCCC(C(=O)O)CC 1P01AV52 [0,0,1,0,0,0|2,0,1]=4 530 B8R0.15 O=CN[C@H](C(=O)O)CS 1P007RRU [0,0,1,0,0,0|1,0,0]=2 531 B8R0.23 CC(=C)CC(C(=O)O)C 1P01A6K2 [0,0,1,0,0,0|2,0,0]=3 532 B8R0.23 CC(=C)CC(C(=O)O)N 1P01BEQC [0,0,1,0,0,0|3,0,0]=4 533 B8R0.23 CC(=C)CC(C(=O)O)N 1P028BSM [0,0,1,0,0,0|3,0,0]=4 534 B8R0.23 CC(=C)C[C@@H](C(=O)O)C 1P01DVEX [0,0,1,0,0,0|2,0,0]=3 535 B8R0.23 CC(=C)C[C@@H](C(=O)O)N 1P004H6G [0,0,1,0,0,0|3,0,0]=4 536 B8R0.23 CC(=C)C[C@H](C(=O)O)N 1P01JNFJ [0,0,1,0,0,0|3,0,0]=4 537 B8R0.23 CC(=O)CC(C(=O)C)O 1P01IKOX [0,0,1,0,0,0|3,0,0]=4 538 B8R0.23 CC(=O)CC(C(=O)O)C 1P003O92 [0,0,1,0,0,0|1,0,0]=2 539 B8R0.23 CC(=O)CC(C(=O)O)N 1P00VVHG [0,0,1,0,0,0|2,0,0]=3 540 B8R0.23 CC(=O)NC(=C)C(=O)O 1P00IA5V [0,0,1,0,0,0|0,0,2]=3 541 B8R0.23 CC(=O)NC(C(=O)O)C 1P00HCMN [0,0,1,0,0,0|0,0,0]=1 542 B8R0.23 CC(=O)NC(C(O)C)C 1P00719U [0,0,1,0,0,0|1,0,1]=3 543 B8R0.23 CC(=O)N[C@@H](C(=O)O)C 1P003T5A [0,0,1,0,0,0|0,0,0]=1 544 B8R0.23 CC(=O)N[C@H](C(=O)O)C 1P003T5O [0,0,1,0,0,0|0,0,0]=1 545 B8R0.23 CC(=O)OC(C(=O)C)C 1P003J9G [0,0,1,0,0,0|2,0,0]=3 546 B8R0.23 CC(=O)OC(C(=O)Cl)C 1P00CI0A [0,0,1,0,0,0|2,0,0]=3 547 B8R0.23 CC(=O)OC(C(=O)O)C 1P00IA0E [0,0,1,0,0,0|1,0,0]=2 548 B8R0.23 CC(=O)O[C@@H](C(=O)Cl)C 1P00IMT7 [0,0,1,0,0,0|2,0,0]=3 549 B8R0.23 CC(=O)O[C@@H](C(=O)O)C 1P00AC23 [0,0,1,0,0,0|1,0,0]=2 550 B8R0.23 CC(=O)O[C@H](C(=O)Cl)C 1P003CU5 [0,0,1,0,0,0|2,0,0]=3 551 B8R0.23 CC(=O)O[C@H](C(=O)O)C 1P003CU4 [0,0,1,0,0,0|1,0,0]=2 552 B8R0.23 CC(C(=O)O)CC(C)C 1P00EBFG [0,0,1,0,0,0|2,0,1]=4 553 B8R0.23 CC(C(=O)O)CC(N)C 1P02914Z [0,0,1,0,0,0|2,0,1]=4 554 B8R0.23 CC(C(=O)O)CN(C)C 1P00J2B5 [0,0,1,0,0,0|3,0,0]=4 555 B8R0.23 CC(C(=O)O)NC(C)C 1P019VK1 [0,0,1,0,0,0|1,0,1]=3 556 B8R0.23 CC(C(=O)O)OC(C)C 1P005FR1 [0,0,1,0,0,0|2,0,1]=4 557 B8R0.23 CC(C(=O)O)SC(C)C 1P019NSY [0,0,1,0,0,0|2,0,1]=4 558 B8R0.23 CS(=O)CC(C(=O)O)C 1P01BF3I [0,0,1,0,0,0|2,0,0]=3 559 B8R0.23 CS(=O)C[C@@H](C(=O)O)N 1P00FABU [0,0,1,0,0,0|3,0,0]=4 560 B8R0.23 C[S@](=O)C[C@@H](C(=O)O)N 1P00CNZI [0,0,1,0,0,0|3,0,0]=4 561 B8R0.23 NC(=O)CC(C(=O)O)C 1P01B9DC [0,0,1,0,0,0|2,0,0]=3 562 B8R0.23 NC(=O)CC(C(=O)O)N 1P003Q9E [0,0,1,0,0,0|3,0,0]=4 563 B8R0.23 NC(=O)C[C@@H](C(=O)O)N 1P0035JS [0,0,1,0,0,0|3,0,0]=4 564 B8R0.23 NC(=O)C[C@@H](C(=O)O)N 1P00IARL [0,0,1,0,0,0|3,0,0]=4 565 B8R0.23 NC(=O)C[C@@H](C(=O)O)O 1P01I6GV [0,0,1,0,0,0|3,0,0]=4 566 B8R0.23 NC(=O)C[C@@H](C(=O)O)[15NH2] 1P00CG1O [0,0,1,0,0,0|3,0,0]=4 567 B8R0.23 NC(=O)C[C@H](C(=O)O)N 1P002AUA [0,0,1,0,0,0|3,0,0]=4 568 B8R0.23 NC(=O)C[C@H](C(=O)O)N 1P003RAT [0,0,1,0,0,0|3,0,0]=4 569 B8R0.23 NC(=O)C[C@H](C(=O)O)O 1P028HNM [0,0,1,0,0,0|3,0,0]=4 570 B8R0.23 NC(=O)NC(C(=O)O)C 1P00G40I [0,0,1,0,0,0|1,0,0]=2 571 B8R0.23 NC(=O)N[C@H](C(=O)O)C 1P00I1WN [0,0,1,0,0,0|1,0,0]=2 572 B8R0.23 OC(=O)CC(C(=O)C)C 1P003ON2 [0,0,1,0,0,0|3,0,0]=4 573 B8R0.23 OC(=O)CC(C(=O)N)C 1P01A53J [0,0,1,0,0,0|3,0,0]=4 574 B8R0.23 OC(=O)CC(C(=O)O)Br 1P003P1G [0,0,1,0,0,0|3,0,0]=4 575 B8R0.23 OC(=O)CC(C(=O)O)C 1P0032QP [0,0,1,0,0,0|2,0,0]=3 576 B8R0.23 OC(=O)CC(C(=O)O)N 1P00IBDD [0,0,1,0,0,0|3,0,0]=4 577 B8R0.23 OC(=O)CC(C(=O)O)O 1P003A2K [0,0,1,0,0,0|3,0,0]=4 578 B8R0.23 OC(=O)CC(C(=O)O)O 1P00DCO2 [0,0,1,0,0,0|3,0,0]=4 579 B8R0.23 OC(=O)CC(C(=O)O)O 1P01DQIV [0,0,1,0,0,0|3,0,0]=4 580 B8R0.23 OC(=O)CC(C(=O)O)S 1P003RXN [0,0,1,0,0,0|3,0,0]=4 581 B8R0.23 OC(=O)C[C@@H](C(=O)O)Br 1P002K98 [0,0,1,0,0,0|3,0,0]=4 582 B8R0.23 OC(=O)C[C@@H](C(=O)O)C 1P003CUV [0,0,1,0,0,0|2,0,0]=3 583 B8R0.23 OC(=O)C[C@@H](C(=O)O)F 1P01FM1V [0,0,1,0,0,0|3,0,0]=4 584 B8R0.23 OC(=O)C[C@@H](C(=O)O)N 1P002J5V [0,0,1,0,0,0|3,0,0]=4 585 B8R0.23 OC(=O)C[C@@H](C(=O)O)N 1P0035JU [0,0,1,0,0,0|3,0,0]=4 586 B8R0.23 OC(=O)C[C@@H](C(=O)O)N 1P00BCQS [0,0,1,0,0,0|3,0,0]=4 587 B8R0.23 OC(=O)C[C@@H](C(=O)O)N 1P00BGEE [0,0,1,0,0,0|3,0,0]=4 588 B8R0.23 OC(=O)C[C@@H](C(=O)O)N 1P00I7X8 [0,0,1,0,0,0|3,0,0]=4 589 B8R0.23 OC(=O)C[C@@H](C(=O)O)O 1P003RN5 [0,0,1,0,0,0|3,0,0]=4 590 B8R0.23 OC(=O)C[C@@H](C(=O)O)[15NH2] 1P003ROV [0,0,1,0,0,0|3,0,0]=4 591 B8R0.23 OC(=O)C[C@H](C(=O)O)C 1P003CMN [0,0,1,0,0,0|2,0,0]=3 592 B8R0.23 OC(=O)C[C@H](C(=O)O)N 1P0026EB [0,0,1,0,0,0|3,0,0]=4 593 B8R0.23 OC(=O)C[C@H](C(=O)O)O 1P0032W0 [0,0,1,0,0,0|3,0,0]=4 594 B8R0.23 OC(=O)\C=C(/C(=O)O)\C 1P003I6D [0,0,1,0,0,0|2,0,1]=4 595 B8R0.23 OC(=O)\C=C(/C(=O)O)\C 1P01JGLL [0,0,1,0,0,0|2,0,1]=4 596 B8R0.23 OC(=O)\C=C(\C(=O)O)/C 1P003RXR [0,0,1,0,0,0|2,0,1]=4 597 B8R0.23 [O-]C(=O)CC(C(=O)O)N 1P006L6H [0,0,1,0,0,0|3,0,0]=4 598 B8R0.28 CC(=C)CCCC(=O)O 1P00DCNZ [0,0,1,0,0,0|2,0,0]=3 599 B8R0.28 CC(=C)COCC(=O)O 1P0002E6 [0,0,1,0,0,0|3,0,0]=4 600 B8R0.28 CC(=O)CCCC(=O)C 1P00700E [0,0,1,0,0,0|2,0,0]=3 601 B8R0.28 CC(=O)CCCC(=O)O 1P003NES [0,0,1,0,0,0|1,0,0]=2 602 B8R0.28 CC(=O)CCOC(=O)C 1P00054J [0,0,1,0,0,0|3,0,0]=4 603 B8R0.28 CC(CCCC(=O)O)N 1P01A3UJ [0,0,1,0,0,0|1,0,1]=3 604 B8R0.28 CC(CCCC(=O)O)O 1P003N9B [0,0,1,0,0,0|1,0,2]=4 605 B8R0.28 CC(COCC(=O)O)N 1P028TSW [0,0,1,0,0,0|2,0,1]=4 606 B8R0.28 CN(CCCC(=O)O)C 1P0034HC [0,0,1,0,0,0|3,0,0]=4 607 B8R0.28 CN(CCCC(=O)O)C 1P0034HD [0,0,1,0,0,0|3,0,0]=4 608 B8R0.28 ClC(=O)CCCC(=O)Cl 1P000YGY [0,0,1,0,0,0|2,0,0]=3 609 B8R0.28 ClC(=O)CCSC(=O)C 1P01BACI [0,0,1,0,0,0|3,0,0]=4 610 B8R0.28 ClC(=O)COCC(=O)Cl 1P002LCO [0,0,1,0,0,0|3,0,0]=4 611 B8R0.28 FC(CCCC(=O)O)F 1P01AM1G [0,0,1,0,0,0|2,0,1]=4 612 B8R0.28 NC(=N)NCCC(=O)O 1P00I7GY [0,0,1,0,0,0|2,0,0]=3 613 B8R0.28 NC(=N)NOCC(=O)O 1P027UQI [0,0,1,0,0,0|3,0,0]=4 614 B8R0.28 NC(=O)CCCC(=O)N 1P003U2U [0,0,1,0,0,0|1,0,0]=2 615 B8R0.28 NC(=O)CCCC(=O)O 1P00BHF1 [0,0,1,0,0,0|0,0,0]=1 616 B8R0.28 NC(=O)CNCC(=O)N 1P007P7Q [0,0,1,0,0,0|2,0,0]=3 617 B8R0.28 NC(=O)CNCC(=O)O 1P028IIA [0,0,1,0,0,0|1,0,0]=2 618 B8R0.28 NC(=O)COCC(=O)O 1P007QEZ [0,0,1,0,0,0|1,0,0]=2 619 B8R0.28 NC(=O)CONC(=O)C 1P0290SC [0,0,1,0,0,0|3,0,0]=4 620 B8R0.28 NC(=O)CSCC(=O)O 1P00151K [0,0,1,0,0,0|1,0,0]=2 621 B8R0.28 OC(=O)CC=CC(=O)O 1P003R8C [0,0,1,0,0,0|1,0,2]=4 622 B8R0.28 OC(=O)CCC=C(C)C 1P00EDMO [0,0,1,0,0,0|2,0,1]=4 623 B8R0.28 OC(=O)CCCC(=O)O 1P003R8G [0,0,1,0,0,0|1,0,0]=2 624 B8R0.28 OC(=O)CCNC(=O)C 1P002ZTO [0,0,1,0,0,0|2,0,0]=3 625 B8R0.28 OC(=O)CCNC(=O)N 1P003KDU [0,0,1,0,0,0|1,0,0]=2 626 B8R0.28 OC(=O)CCOC(=O)C 1P019UFL [0,0,1,0,0,0|2,0,0]=3 627 B8R0.28 OC(=O)CCSC(=O)C 1P003IMM [0,0,1,0,0,0|2,0,0]=3 628 B8R0.28 OC(=O)CNCC(=O)O 1P0035HA [0,0,1,0,0,0|2,0,0]=3 629 B8R0.28 OC(=O)CNCC(=O)O 1P00BHE4 [0,0,1,0,0,0|2,0,0]=3 630 B8R0.28 OC(=O)COCC(=O)O 1P003FT6 [0,0,1,0,0,0|2,0,0]=3 631 B8R0.28 OC(=O)CSCC(=O)O 1P000KEA [0,0,1,0,0,0|2,0,0]=3 632 B8R0.28 OC(=O)C\C=C\C(=O)O 1P003R8D [0,0,1,0,0,0|1,0,2]=4 633 B8R0.28 SC(=N)NCCC(=O)O 1P003K2U [0,0,1,0,0,0|1,1,1]=4 634 B8R0.28 [O-]C(=O)CNCC(=O)O 1P0021RM [0,0,1,0,0,0|2,0,0]=3 635 B8R0.28 [O-]C(=O)CNCC(=O)[O-] 1P003Q82 [0,0,1,0,0,0|2,0,1]=4 636 B8R0.28 [O-]C(=O)CSCC(=O)C 1P019YXQ [0,0,1,0,0,0|2,0,1]=4 637 B8R0.28 [O-][N+](=O)CCCC(=O)N 1P00B5ID [0,0,1,0,0,0|1,0,1]=3 638 B8R0.28 [O-][N+](=O)CCCC(=O)O 1P001VKG [0,0,1,0,0,0|2,0,0]=3 639 B10R2.14 O=C1CCC(N1)C2CC2 1P004T7O [0,0,0,1,0,0|2,0,1]=4 640 B10R2.60 BrC1CC2CC1OC2=O 1P00K92X [0,0,0,1,0,0|2,0,1]=4 641 B10R2.60 C=C1C[C@@H]2C[C@H]1CC2=O 1P028JCL [0,0,0,1,0,0|3,0,0]=4 642 B10R2.60 O=C1CC2CC1CC2=O 1P01DF90 [0,0,0,1,0,0|2,0,0]=3 643 B10R2.60 O[C@@H]1C[C@H]2C[C@@H]1CC2=O 1P028OSO [0,0,0,1,0,0|2,0,1]=4 644 B10R2.178 O=C1CCC2NC1CC2 1P002DGY [0,0,0,1,0,0|2,0,1]=4 645 B10R2.178 O=C1NCC2NC1CC2 1P00BPY5 [0,0,0,1,0,0|2,0,1]=4 646 B10R2.178 O=C1NCC2NC1CC2 1P01JVF5 [0,0,0,1,0,0|2,0,1]=4 647 B10R2.178 O=C1NC[C@@H]2N[C@H]1CC2 1P0276IS [0,0,0,1,0,0|2,0,1]=4 648 B10R2.178 O=C1NC[C@H]2N[C@@H]1CC2 1P00AFR1 [0,0,0,1,0,0|2,0,1]=4 649 B10R2.178 O=C1NC[C@H]2N[C@@H]1CC2 1P0285D2 [0,0,0,1,0,0|2,0,1]=4 650 B10R2.308 Br[C@@H]1C[C@@]2([C@H]1C2)C(=O)O 1P028MY2 [0,0,0,1,0,0|2,0,1]=4 651 B10R2.308 C[C@@H]1C[C@@]2([C@H]1C2)C(=O)O 1P028OJS [0,0,0,1,0,0|2,0,1]=4 652 B10R2.308 C[C@@H]1C[C@]2([C@@H]1C2)C(=O)O 1P028O73 [0,0,0,1,0,0|2,0,1]=4 653 B10R2.308 F[C@@H]1C[C@@]2([C@H]1C2)C(=O)O 1P028CX7 [0,0,0,1,0,0|2,0,1]=4 654 B10R2.308 N[C@@H]1C[C@@]2([C@H]1C2)C(=O)O 1P028U9I [0,0,0,1,0,0|2,0,1]=4 655 B10R2.308 N[C@@H]1C[C@]2([C@@H]1C2)C(=O)O 1P028TVD [0,0,0,1,0,0|2,0,1]=4 656 B10R2.308 O[C@@H]1C[C@@]2([C@H]1C2)C(=O)O 1P0206LZ [0,0,0,1,0,0|1,0,2]=4 657 B10R2.308 O[C@@H]1C[C@]2([C@@H]1C2)C(=O)O 1P0206DX [0,0,0,1,0,0|1,0,2]=4 658 B10R2.348 OC(=O)C12CCC(C1)C2 1P01JVLB [0,0,0,1,0,0|2,0,1]=4 659 B10R2.355 OC(=O)[C@@H]1CC[C@H]2[C@@H]1C2 1P028NWD [0,0,0,1,0,0|2,0,1]=4 660 B10R2.357 NC(=O)[C@@H]1C[C@@H]2[C@H](N1)C2 1P01EJPZ [0,0,0,1,0,0|2,0,1]=4 661 B10R2.357 NC(=O)[C@@H]1C[C@H]2[C@@H](N1)C2 1P003AL8 [0,0,0,1,0,0|2,0,1]=4 662 B10R2.357 NC(=O)[C@@H]1C[C@H]2[C@@H](N1)C2 1P00CL59 [0,0,0,1,0,0|2,0,1]=4 663 B10R2.357 NC(=O)[C@@H]1C[C@H]2[C@@H](N1)C2 1P00FCPU [0,0,0,1,0,0|2,0,1]=4 664 B10R2.357 OC(=O)C1CC2C(C1)C2 1P0071O1 [0,0,0,1,0,0|2,0,1]=4 665 B10R2.357 OC(=O)[C@@H]1C[C@@H]2[C@H](C1)C2 1P028R38 [0,0,0,1,0,0|2,0,1]=4 666 B10R2.357 OC(=O)[C@@H]1C[C@@H]2[C@H](N1)C2 1P01XCUF [0,0,0,1,0,0|1,0,1]=3 667 B10R2.357 OC(=O)[C@@H]1C[C@H]2[C@@H](C1)C2 1P01B7CY [0,0,0,1,0,0|2,0,1]=4 668 B10R2.357 OC(=O)[C@@H]1C[C@H]2[C@@H](N1)C2 1P007R1G [0,0,0,1,0,0|1,0,1]=3 669 B10R2.357 OC(=O)[C@@H]1C[C@H]2[C@@H](N1)C2 1P024KO4 [0,0,0,1,0,0|1,0,1]=3 670 B10R2.357 OC(=O)[C@H]1C[C@@H]2[C@H](N1)C2 1P00ILAL [0,0,0,1,0,0|1,0,1]=3 671 B8R1.23 BrC1CC(C1)C(=O)O 1P01EBTW [0,0,0,0,1,0|2,0,1]=4 672 B8R1.23 Br[C@@H]1C[C@@H](C1)C(=O)O 1P0209B2 [0,0,0,0,1,0|2,0,1]=4 673 B8R1.23 Br[C@@H]1C[C@H](C1)C(=O)O 1P01EBTD [0,0,0,0,1,0|2,0,1]=4 674 B8R1.23 CC(C1CC(=O)N1)C 1P00GFT6 [0,0,0,0,1,0|2,0,1]=4 675 B8R1.23 CC1CC(C1)C(=O)O 1P00380T [0,0,0,0,1,0|2,0,1]=4 676 B8R1.23 CC1CC(N1)C(=O)O 1P01DZCF [0,0,0,0,1,0|1,0,1]=3 677 B8R1.23 CN1CC(C1)C(=O)O 1P004S1X [0,0,0,0,1,0|3,0,0]=4 678 B8R1.23 C[C@@H]1C[C@@H](C1)C(=O)O 1P00H3P5 [0,0,0,0,1,0|2,0,1]=4 679 B8R1.23 C[C@@H]1C[C@@H](N1)C(=O)O 1P02074D [0,0,0,0,1,0|1,0,1]=3 680 B8R1.23 C[C@@H]1C[C@H](C1)C(=O)O 1P00IF9M [0,0,0,0,1,0|2,0,1]=4 681 B8R1.23 C[C@H]1C[C@@H](N1)C(=O)O 1P02074N [0,0,0,0,1,0|1,0,1]=3 682 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O 1P00PLYX [0,0,0,0,1,0|1,0,1]=3 683 B8R1.23 ClC1CC(C1)C(=O)O 1P007FK6 [0,0,0,0,1,0|2,0,1]=4 684 B8R1.23 Cl[C@@H]1C[C@H](C1)C(=O)O 1P00I7FY [0,0,0,0,1,0|2,0,1]=4 685 B8R1.23 FC1CC(C1)C(=O)O 1P009B1H [0,0,0,0,1,0|2,0,1]=4 686 B8R1.23 F[C@@H]1C[C@@H](C1)C(=O)O 1P000LL1 [0,0,0,0,1,0|2,0,1]=4 687 B8R1.23 F[C@@H]1C[C@H](C1)C(=O)O 1P000LL0 [0,0,0,0,1,0|2,0,1]=4 688 B8R1.23 IC1CC(C1)C(=O)O 1P0285A2 [0,0,0,0,1,0|2,0,1]=4 689 B8R1.23 NC1CC(C1)C(=O)O 1P000QSP [0,0,0,0,1,0|2,0,1]=4 690 B8R1.23 N[C@@H]1C[C@@H](C1)C(=O)O 1P003A1D [0,0,0,0,1,0|2,0,1]=4 691 B8R1.23 N[C@@H]1C[C@@H](C1)C(=O)O 1P005YM8 [0,0,0,0,1,0|2,0,1]=4 692 B8R1.23 N[C@@H]1C[C@H](C1)C(=O)O 1P005YMF [0,0,0,0,1,0|2,0,1]=4 693 B8R1.23 N[C@@H]1C[C@H](C1)C(=O)O 1P008H8O [0,0,0,0,1,0|2,0,1]=4 694 B8R1.23 O=C1CC(C1)C(=O)N 1P0291I1 [0,0,0,0,1,0|2,0,0]=3 695 B8R1.23 O=C1CC(C1)C(=O)O 1P00348L [0,0,0,0,1,0|1,0,0]=2 696 B8R1.23 O=C1CC(N1)C(=O)O 1P00H73C [0,0,0,0,1,0|0,0,0]=1 697 B8R1.23 O=C1CN(C1)C(=O)C 1P00ARA6 [0,0,0,0,1,0|3,0,0]=4 698 B8R1.23 O=C1CN(C1)C(=O)Cl 1P028VLT [0,0,0,0,1,0|3,0,0]=4 699 B8R1.23 O=C1C[C@@H](N1)C(=O)O 1P00IBK7 [0,0,0,0,1,0|0,0,0]=1 700 B8R1.23 O=C1C[C@H](N1)C(=O)O 1P001V2H [0,0,0,0,1,0|0,0,0]=1 701 B8R1.23 O=S1CC(C1)C(=O)O 1P027R6C [0,0,0,0,1,0|2,0,0]=3 702 B8R1.23 OC(=O)C1CC(=C)C1 1P001Q08 [0,0,0,0,1,0|2,0,0]=3 703 B8R1.23 OC1CC(C1)C(=O)O 1P0074YT [0,0,0,0,1,0|1,0,2]=4 704 B8R1.23 O[C@@H]1C[C@@H](C1)C(=O)O 1P00DGWW [0,0,0,0,1,0|1,0,2]=4 705 B8R1.23 O[C@@H]1C[C@H](C1)C(=O)O 1P000TTS [0,0,0,0,1,0|1,0,2]=4 706 B8R1.23 SC1CC(C1)C(=O)O 1P028CJZ [0,0,0,0,1,0|1,1,1]=4 707 B8R1.23 S[C@@H]1C[C@H](C1)C(=O)O 1P0284TI [0,0,0,0,1,0|1,1,1]=4 708 B8R1.31 CC(C1CCC1=O)C 1P01BACW [0,0,0,0,1,0|2,0,1]=4 709 B8R1.31 CC1CCC1C(=O)O 1P0037P5 [0,0,0,0,1,0|1,0,1]=3 710 B8R1.31 CC1NCC1C(=O)O 1P00HZI9 [0,0,0,0,1,0|2,0,1]=4 711 B8R1.31 CN1CCC1C(=O)O 1P01DYNI [0,0,0,0,1,0|2,0,0]=3 712 B8R1.31 CN1CC[C@@H]1C(=O)O 1P00I5CE [0,0,0,0,1,0|2,0,0]=3 713 B8R1.31 CN1CC[C@H]1C(=O)O 1P00I5CC [0,0,0,0,1,0|2,0,0]=3 714 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O 1P00I3DK [0,0,0,0,1,0|2,0,1]=4 715 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O 1P028NBG [0,0,0,0,1,0|2,0,1]=4 716 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O 1P027KVO [0,0,0,0,1,0|2,0,1]=4 717 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O 1P0023NG [0,0,0,0,1,0|1,0,1]=3 718 B8R1.31 N[C@H]1CC[C@H]1C(=O)O 1P00IL5S [0,0,0,0,1,0|1,0,1]=3 719 B8R1.31 OC(=O)C1=C(CC1)Cl 1P028NUC [0,0,0,0,1,0|1,0,1]=3 720 B8R1.31 OC(=O)C1CCC1F 1P01BAOK [0,0,0,0,1,0|1,0,1]=3 721 B8R1.31 OC(=O)[C@@H]1CC[C@@H]1F 1P0289HT [0,0,0,0,1,0|1,0,1]=3 722 B8R1.31 O[C@H]1CC[C@@H]1C(=O)O 1P01X055 [0,0,0,0,1,0|0,0,2]=3 723 B10R1.13 CC1=CCC(CC1)C(=O)C 1P0039HB [0,0,0,0,0,1|3,0,0]=4 724 B10R1.13 CC1=CCC(CC1)C(=O)O 1P00DFK5 [0,0,0,0,0,1|2,0,0]=3 725 B10R1.13 CC1=CC[C@H](CC1)C(=O)O 1P028RVY [0,0,0,0,0,1|2,0,0]=3 726 B10R1.13 CC1CCC(CC1)C(=O)O 1P003M8G [0,0,0,0,0,1|2,0,1]=4 727 B10R1.13 CC1CCC(CN1)C(=O)N 1P00H4XX [0,0,0,0,0,1|2,0,1]=4 728 B10R1.13 CC1CCC(CN1)C(=O)O 1P000C6X [0,0,0,0,0,1|1,0,1]=3 729 B10R1.13 CC1CCC(CN1)C(=O)O 1P01ELTM [0,0,0,0,0,1|1,0,1]=3 730 B10R1.13 CC1CCC(NC1)C(=O)O 1P01EM08 [0,0,0,0,0,1|1,0,1]=3 731 B10R1.13 CC1COC(CN1)C(=O)O 1P01KKMJ [0,0,0,0,0,1|2,0,1]=4 732 B10R1.13 CN1CCC(CC1)C(=O)O 1P0033A0 [0,0,0,0,0,1|3,0,0]=4 733 B10R1.13 CN1CCC(CC1)C(=O)O 1P005OP8 [0,0,0,0,0,1|3,0,0]=4 734 B10R1.13 C[C@@H]1CC[C@@H](CC1)C(=O)O 1P01JD2Q [0,0,0,0,0,1|2,0,1]=4 735 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)N 1P0286OB [0,0,0,0,0,1|2,0,1]=4 736 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)O 1P028LH3 [0,0,0,0,0,1|1,0,1]=3 737 B10R1.13 C[C@@H]1CC[C@H](CC1)C(=O)O 1P000V7K [0,0,0,0,0,1|2,0,1]=4 738 B10R1.13 C[C@@H]1CC[C@H](CN1)C(=O)O 1P01XD3L [0,0,0,0,0,1|1,0,1]=3 739 B10R1.13 C[C@@H]1CC[C@H](NC1)C(=O)O 1P01P5SR [0,0,0,0,0,1|1,0,1]=3 740 B10R1.13 C[C@@H]1CN[C@@H](CO1)C(=O)O 1P028Q4F [0,0,0,0,0,1|2,0,1]=4 741 B10R1.13 C[C@@H]1CN[C@H](CO1)C(=O)O 1P01BSBP [0,0,0,0,0,1|2,0,1]=4 742 B10R1.13 C[C@H]1CN[C@@H](CO1)C(=O)O 1P01AM05 [0,0,0,0,0,1|2,0,1]=4 743 B10R1.13 C[C@H]1CN[C@H](CO1)C(=O)O 1P01AM07 [0,0,0,0,0,1|2,0,1]=4 744 B10R1.13 FC1CCC(CC1)C(=O)O 1P006P00 [0,0,0,0,0,1|2,0,1]=4 745 B10R1.13 F[C@@H]1CC[C@@H](CC1)C(=O)O 1P00ILL4 [0,0,0,0,0,1|2,0,1]=4 746 B10R1.13 F[C@@H]1CC[C@H](CC1)C(=O)O 1P0020EU [0,0,0,0,0,1|2,0,1]=4 747 B10R1.13 F[C@@H]1CC[C@H](NC1)C(=O)O 1P020KXP [0,0,0,0,0,1|1,0,1]=3 748 B10R1.13 NC1CCC(CC1)C(=O)O 1P0025VN [0,0,0,0,0,1|2,0,1]=4 749 B10R1.13 NC1CCC(CC1)C(=O)O 1P019E52 [0,0,0,0,0,1|2,0,1]=4 750 B10R1.13 N[C@@H]1CC[C@@H](CC1)C(=O)O 1P00785H [0,0,0,0,0,1|2,0,1]=4 751 B10R1.13 N[C@@H]1CC[C@H](CC1)C(=O)O 1P00366H [0,0,0,0,0,1|2,0,1]=4 752 B10R1.13 N[C@@H]1CC[C@H](CC1)C(=O)O 1P003VEE [0,0,0,0,0,1|2,0,1]=4 753 B10R1.13 O=C1CC=C(N=N1)C(=O)O 1P00IJD3 [0,0,0,0,0,1|0,0,3]=4 754 B10R1.13 O=C1CCC(=NN1)C(=O)O 1P0034U6 [0,0,0,0,0,1|0,0,1]=2 755 B10R1.13 O=C1CCC(CC1)C(=O)N 1P0029QV [0,0,0,0,0,1|2,0,0]=3 756 B10R1.13 O=C1CCC(CC1)C(=O)O 1P003MET [0,0,0,0,0,1|1,0,0]=2 757 B10R1.13 O=C1CCC(CC1)[N+](=O)[O-] 1P0288CQ [0,0,0,0,0,1|2,0,1]=4 758 B10R1.13 O=C1CCC(CN1)C(=O)O 1P006Y20 [0,0,0,0,0,1|0,0,0]=1 759 B10R1.13 O=C1CCC(NC1)C(=O)O 1P00IKTS [0,0,0,0,0,1|0,0,0]=1 760 B10R1.13 O=C1CCN(CC1)C(=O)C 1P003T58 [0,0,0,0,0,1|3,0,0]=4 761 B10R1.13 O=C1CCN(CC1)C(=O)Cl 1P00CG5P [0,0,0,0,0,1|3,0,0]=4 762 B10R1.13 O=C1CCN(CC1)C(=O)N 1P0031G4 [0,0,0,0,0,1|3,0,0]=4 763 B10R1.13 O=C1CC[C@@H](CN1)C(=O)O 1P01DY8H [0,0,0,0,0,1|0,0,0]=1 764 B10R1.13 O=C1CC[C@H](CN1)C(=O)O 1P01DYFM [0,0,0,0,0,1|0,0,0]=1 765 B10R1.13 O=C1CNC(CN1)C(=O)N 1P01FKUA [0,0,0,0,0,1|2,0,0]=3 766 B10R1.13 O=C1CNC(CN1)C(=O)O 1P00BZEW [0,0,0,0,0,1|1,0,0]=2 767 B10R1.13 O=C1CNC(CN1)C(=O)O 1P01K1AT [0,0,0,0,0,1|1,0,0]=2 768 B10R1.13 O=C1NCC(CN1)C(=O)O 1P018I24 [0,0,0,0,0,1|1,0,0]=2 769 B10R1.13 OC(=O)C1CCC(=C)CC1 1P006329 [0,0,0,0,0,1|2,0,0]=3 770 B10R1.13 OC(=O)C1CCC(=NC1)N 1P01C4CC [0,0,0,0,0,1|1,0,1]=3 771 B10R1.13 OC(=O)C1CNC(=NC1)N 1P01C4SI [0,0,0,0,0,1|2,0,0]=3 772 B10R1.13 OC(=O)c1c[nH]c(=O)cn1 1P005PT2 [0,0,0,0,0,1|1,0,2]=4 773 B10R1.13 OC(=O)c1ccc(=O)[nH]c1 1P003NPH [0,0,0,0,0,1|0,0,3]=4 774 B10R1.13 OC1CCC(CC1)C(=O)O 1P003M02 [0,0,0,0,0,1|1,0,2]=4 775 B10R1.13 OC1CCC(NC1)C(=O)O 1P000VN5 [0,0,0,0,0,1|0,0,2]=3 776 B10R1.13 O[C@@H]1CC[C@@H](CC1)C(=O)O 1P00BYXU [0,0,0,0,0,1|1,0,2]=4 777 B10R1.13 O[C@@H]1CC[C@H](CC1)C(=O)O 1P00366K [0,0,0,0,0,1|1,0,2]=4 778 B10R1.13 O[C@@H]1CC[C@H](NC1)C(=O)O 1P003AHS [0,0,0,0,0,1|0,0,2]=3 779 B10R1.13 O[C@H]1CC[C@H](NC1)C(=O)O 1P00AO48 [0,0,0,0,0,1|0,0,2]=3 780 B10R1.13 O[C@H]1CC[C@H](NC1)C(=O)O 1P00HZUJ [0,0,0,0,0,1|0,0,2]=3 781 B10R1.54 CC(=O)CC1CCC(=O)N1 1P01BCKO [0,0,0,0,0,1|1,0,0]=2 782 B10R1.54 CC1=NN(CC1)CC(=O)O 1P008VQJ [0,0,0,0,0,1|2,0,1]=4 783 B10R1.54 CC1CCC(C1)CC(=O)O 1P019ZWI [0,0,0,0,0,1|2,0,1]=4 784 B10R1.54 CC1CCC(O1)CC(=O)O 1P01B5ES [0,0,0,0,0,1|2,0,1]=4 785 B10R1.54 CN1CCC(C1)CC(=O)O 1P0006ST [0,0,0,0,0,1|3,0,0]=4 786 B10R1.54 CN1CCC(C1)CC(=O)O 1P007TVF [0,0,0,0,0,1|3,0,0]=4 787 B10R1.54 OC(=O)CC1CCC(=O)C1 1P007I8T [0,0,0,0,0,1|1,0,0]=2 788 B10R1.54 OC(=O)CC1CCC(=O)N1 1P00EIT0 [0,0,0,0,0,1|0,0,0]=1 789 B10R1.54 OC(=O)CC1CCC(=O)O1 1P00EZ8E [0,0,0,0,0,1|1,0,0]=2 790 B10R1.54 OC(=O)CC1CNC(=O)C1 1P01FM1U [0,0,0,0,0,1|2,0,0]=3 791 B10R1.54 OC(=O)CC1CNC(=O)O1 1P028FQ4 [0,0,0,0,0,1|2,0,0]=3 792 B10R1.54 OC(=O)C[C@@H]1CCC(=O)N1 1P00IBEA [0,0,0,0,0,1|0,0,0]=1 793 B10R1.54 OC(=O)C[C@@H]1CNC(=O)C1 1P01CAN1 [0,0,0,0,0,1|2,0,0]=3 794 B10R1.54 OC(=O)C[C@@H]1CNC(=O)O1 1P000FXY [0,0,0,0,0,1|2,0,0]=3 795 B10R1.54 OC(=O)C[C@H]1CCC(=O)N1 1P00J3DO [0,0,0,0,0,1|0,0,0]=1 796 B10R1.54 OC(=O)C[C@H]1CNC(=O)O1 1P028G3N [0,0,0,0,0,1|2,0,0]=3 797 B10R1.54 OC(=O)C[C@H]1COC(=O)N1 1P01DXMI [0,0,0,0,0,1|1,0,0]=2 798 B10R1.54 OC(=O)Cn1nnc(=O)[nH]1 1P028D7M [0,0,0,0,0,1|3,0,0]=4 799 B10R1.54 OC1CCC(C1)CC(=O)O 1P01DN5B [0,0,0,0,0,1|1,0,2]=4 800 B10R1.54 O[C@H]1CC[C@H](C1)CC(=O)O 1P01DY60 [0,0,0,0,0,1|1,0,2]=4 801 B10R1.54 [O-][N+](=O)CC1CCC(=O)C1 1P004Z64 [0,0,0,0,0,1|2,0,1]=4 802 B10R1.113 CC(C1CNCC(=O)N1)C 1P028JUX [0,0,0,0,0,1|2,0,1]=4 803 B10R1.113 CC(C1COCC(=O)N1)C 1P000Q8V [0,0,0,0,0,1|2,0,1]=4 804 B10R1.113 CC([C@@H]1COCC(=O)N1)C 1P000359 [0,0,0,0,0,1|2,0,1]=4 805 B10R1.113 CC([C@H]1COCC(=O)N1)C 1P000Y2N [0,0,0,0,0,1|2,0,1]=4 806 B10R1.113 CC1CC(CNC1)C(=O)O 1P01A269 [0,0,0,0,0,1|2,0,1]=4 807 B10R1.113 CC1CC(NCC1)C(=O)O 1P019TJM [0,0,0,0,0,1|2,0,1]=4 808 B10R1.113 CC1CCCC(C1)C(=O)O 1P0011VL [0,0,0,0,0,1|2,0,1]=4 809 B10R1.113 CC1CCCC(N1)C(=O)O 1P00IKRU [0,0,0,0,0,1|1,0,1]=3 810 B10R1.113 CC1CCCC(N1)C(=O)O 1P01ADM0 [0,0,0,0,0,1|1,0,1]=3 811 B10R1.113 CC1CNCC(O1)C(=O)O 1P01BAMQ [0,0,0,0,0,1|2,0,1]=4 812 B10R1.113 CC1COCC(N1)C(=O)O 1P01ADML [0,0,0,0,0,1|1,0,1]=3 813 B10R1.113 CC1COCC(O1)C(=O)O 1P0283PZ [0,0,0,0,0,1|2,0,1]=4 814 B10R1.113 CC1CSCC(N1)C(=O)O 1P01FIWT [0,0,0,0,0,1|1,0,1]=3 815 B10R1.113 CC1OCCC(C1)C(=O)O 1P004BUT [0,0,0,0,0,1|2,0,1]=4 816 B10R1.113 CC1SCCC(C1)C(=O)O 1P021K28 [0,0,0,0,0,1|2,0,1]=4 817 B10R1.113 CN1CC(OCC1)C(=O)O 1P008HE2 [0,0,0,0,0,1|3,0,0]=4 818 B10R1.113 CN1CC(OCC1)C(=O)O 1P00G8OD [0,0,0,0,0,1|3,0,0]=4 819 B10R1.113 CN1CCCC(C1)C(=O)O 1P002CYP [0,0,0,0,0,1|3,0,0]=4 820 B10R1.113 CN1CCCC(C1)C(=O)O 1P00EA82 [0,0,0,0,0,1|3,0,0]=4 821 B10R1.113 CN1CCC[C@@H](C1)C(=O)O 1P001DQ7 [0,0,0,0,0,1|3,0,0]=4 822 B10R1.113 CN1CCC[C@@H](C1)C(=O)O 1P02902H [0,0,0,0,0,1|3,0,0]=4 823 B10R1.113 CN1CCC[C@H](C1)C(=O)O 1P01DXS8 [0,0,0,0,0,1|3,0,0]=4 824 B10R1.113 CN1CCC[C@H](C1)C(=O)O 1P028QTM [0,0,0,0,0,1|3,0,0]=4 825 B10R1.113 CN1CCNC(C1)C(=O)O 1P005HJ4 [0,0,0,0,0,1|3,0,0]=4 826 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O 1P01B5EE [0,0,0,0,0,1|1,0,1]=3 827 B10R1.113 C[C@@H]1CCC[C@@H](O1)C(=O)O 1P0284SP [0,0,0,0,0,1|2,0,1]=4 828 B10R1.113 C[C@@H]1CNC[C@@H](O1)C(=O)O 1P01C66T [0,0,0,0,0,1|2,0,1]=4 829 B10R1.113 C[C@@H]1COC[C@@H](N1)C(=O)O 1P021XIM [0,0,0,0,0,1|1,0,1]=3 830 B10R1.113 C[C@H]1COC[C@H](N1)C(=O)N 1P021XJW [0,0,0,0,0,1|2,0,1]=4 831 B10R1.113 C[C@H]1COC[C@H](N1)C(=O)O 1P01B8O1 [0,0,0,0,0,1|1,0,1]=3 832 B10R1.113 C[C@H]1C[C@@H](NCC1)C(=O)O 1P005H2L [0,0,0,0,0,1|2,0,1]=4 833 B10R1.113 C[C@H]1C[C@H](CNC1)C(=O)O 1P029042 [0,0,0,0,0,1|2,0,1]=4 834 B10R1.113 C[C@H]1C[C@H](NCC1)C(=O)O 1P027UHX [0,0,0,0,0,1|2,0,1]=4 835 B10R1.113 C[C@H]1NCC[C@H](C1)C(=O)O 1P01BY7C [0,0,0,0,0,1|2,0,1]=4 836 B10R1.113 C[C@H]1OCC[C@@H](C1)C(=O)O 1P027VZ2 [0,0,0,0,0,1|2,0,1]=4 837 B10R1.113 ClC1CCCC(C1)C(=O)O 1P028ZF8 [0,0,0,0,0,1|2,0,1]=4 838 B10R1.113 FC1CCCC(C1)C(=O)O 1P01BBPQ [0,0,0,0,0,1|2,0,1]=4 839 B10R1.113 NC1CC(OCC1)C(=O)O 1P01FITU [0,0,0,0,0,1|2,0,1]=4 840 B10R1.113 NC1CC(OCC1)C(=O)O 1P028ZMT [0,0,0,0,0,1|2,0,1]=4 841 B10R1.113 NC1CCCC(C1)C(=O)O 1P002RHG [0,0,0,0,0,1|2,0,1]=4 842 B10R1.113 NN1CCCC(C1)C(=O)O 1P0282B9 [0,0,0,0,0,1|3,0,0]=4 843 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O 1P00G2RU [0,0,0,0,0,1|2,0,1]=4 844 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O 1P024HFF [0,0,0,0,0,1|2,0,1]=4 845 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O 1P00CIT7 [0,0,0,0,0,1|2,0,1]=4 846 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O 1P00H24X [0,0,0,0,0,1|2,0,1]=4 847 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O 1P001X52 [0,0,0,0,0,1|2,0,1]=4 848 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O 1P00ILE8 [0,0,0,0,0,1|2,0,1]=4 849 B10R1.113 N[C@H]1C[C@@H](NCC1)C(=O)O 1P021VL8 [0,0,0,0,0,1|2,0,1]=4 850 B10R1.113 N[C@H]1C[C@H](COC1)C(=O)O 1P027WBN [0,0,0,0,0,1|2,0,1]=4 851 B10R1.113 O=C1C=CCC(C1)C(=O)O 1P006X3X [0,0,0,0,0,1|1,0,1]=3 852 B10R1.113 O=C1CCCC(C1)C(=O)N 1P01B8OW [0,0,0,0,0,1|2,0,0]=3 853 B10R1.113 O=C1CCCC(C1)C(=O)O 1P001T5N [0,0,0,0,0,1|1,0,0]=2 854 B10R1.113 O=C1CCCC(N1)C(=O)O 1P00BZX3 [0,0,0,0,0,1|0,0,0]=1 855 B10R1.113 O=C1CCCC(N1)C(C)C 1P0201A4 [0,0,0,0,0,1|2,0,1]=4 856 B10R1.113 O=C1CCCC(O1)C(=O)O 1P028WFW [0,0,0,0,0,1|1,0,0]=2 857 B10R1.113 O=C1CCCN(C1)C(=O)Cl 1P028R7R [0,0,0,0,0,1|3,0,0]=4 858 B10R1.113 O=C1CCC[C@@H](C1)C(=O)O 1P01KAEN [0,0,0,0,0,1|1,0,0]=2 859 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O 1P005ES3 [0,0,0,0,0,1|0,0,0]=1 860 B10R1.113 O=C1CCC[C@H](C1)C(=O)O 1P01G74C [0,0,0,0,0,1|1,0,0]=2 861 B10R1.113 O=C1CCC[C@H](N1)C(=O)O 1P003D1Y [0,0,0,0,0,1|0,0,0]=1 862 B10R1.113 O=C1CCNC(C1)C(=O)O 1P00IKTR [0,0,0,0,0,1|1,0,0]=2 863 B10R1.113 O=C1CCOC(C1)C(=O)O 1P01B8MB [0,0,0,0,0,1|1,0,0]=2 864 B10R1.113 O=C1CSCC(N1)C(=O)O 1P001IJ5 [0,0,0,0,0,1|0,0,0]=1 865 B10R1.113 O=C1CSC[C@H](N1)C(=O)O 1P00F5U9 [0,0,0,0,0,1|0,0,0]=1 866 B10R1.113 O=C1NCCC(C1)C(=N)N 1P028G4N [0,0,0,0,0,1|3,0,0]=4 867 B10R1.113 O=C1NCCC(C1)C(=O)O 1P002OXK [0,0,0,0,0,1|1,0,0]=2 868 B10R1.113 O=C1NCCC(C1)C(O)C 1P01BECZ [0,0,0,0,0,1|2,0,1]=4 869 B10R1.113 O=C1NCCN(C1)C(=O)C 1P00264J [0,0,0,0,0,1|3,0,0]=4 870 B10R1.113 O=C1NNCC(C1)C(=O)O 1P024UOT [0,0,0,0,0,1|2,0,0]=3 871 B10R1.113 O=C1OCCC(N1)C(=O)O 1P01C2KY [0,0,0,0,0,1|0,0,0]=1 872 B10R1.113 O=C1OCC[C@@H](N1)C(=O)O 1P028YQR [0,0,0,0,0,1|0,0,0]=1 873 B10R1.113 O=C1OCC[C@H](N1)C(=O)O 1P02409S [0,0,0,0,0,1|0,0,0]=1 874 B10R1.113 O=S1CCCC(=C1)C(=O)O 1P006A1T [0,0,0,0,0,1|2,0,1]=4 875 B10R1.113 O=S1CCNC(C1)C(=O)O 1P01ADBN [0,0,0,0,0,1|2,0,0]=3 876 B10R1.113 O=[C@]([C@H]1C[C@@H](N)CCC1)O 1P01KIMO [0,0,0,0,0,1|2,0,1]=4 877 B10R1.113 OC(=O)C1CC(=C)CCN1 1P0293IO [0,0,0,0,0,1|2,0,0]=3 878 B10R1.113 OC(=O)[C@@H]1CCN=C(N1)C 1P006Q2M [0,0,0,0,0,1|1,0,0]=2 879 B10R1.113 OC(=O)[C@@H]1C[C@H](F)CCN1 1P027VP8 [0,0,0,0,0,1|2,0,1]=4 880 B10R1.113 OC(=O)c1cccc(=O)[nH]1 1P003NP5 [0,0,0,0,0,1|0,0,3]=4 881 B10R1.113 OC(=O)c1ccnc(=O)[nH]1 1P0069K5 [0,0,0,0,0,1|0,0,3]=4 882 B10R1.113 OC(=O)c1cncc(=O)[nH]1 1P001B0Z [0,0,0,0,0,1|0,0,3]=4 883 B10R1.113 OC1CCCC(C1)C(=O)O 1P00392M [0,0,0,0,0,1|1,0,2]=4 884 B10R1.113 OC1CCOC(C1)C(=O)O 1P028VNN [0,0,0,0,0,1|1,0,2]=4 885 B10R1.113 OC1CNCC(C1)C(=O)O 1P000EA0 [0,0,0,0,0,1|1,0,2]=4 886 B10R1.113 O[C@@H]1CCC[C@@H](C1)C(=O)O 1P00ILIO [0,0,0,0,0,1|1,0,2]=4 887 B10R1.113 O[C@@H]1CCC[C@H](C1)C(=O)O 1P002NGG [0,0,0,0,0,1|1,0,2]=4 888 B10R1.113 O[C@@H]1CCN[C@@H](C1)C(=O)O 1P00952I [0,0,0,0,0,1|1,0,2]=4 889 B10R1.113 O[C@@H]1CCN[C@H](C1)C(=O)O 1P00HTFS [0,0,0,0,0,1|1,0,2]=4 890 B10R1.113 O[C@H]1CCC[C@@H](C1)C(=O)O 1P01JUJX [0,0,0,0,0,1|1,0,2]=4 891 B10R1.113 O[C@H]1CCC[C@H](C1)C(=O)O 1P0071FI [0,0,0,0,0,1|1,0,2]=4 892 B10R1.113 O[C@H]1CCN[C@H](C1)C(=O)O 1P0021KY [0,0,0,0,0,1|1,0,2]=4 893 B7R0.3 C=CCCC(C=O)C 1P01DW2X [1,0,1,0,0,0|2,0,0]=4 894 B7R0.3 CCC(=O)CCC=C 1P01A9QQ [1,0,1,0,0,0|2,0,0]=4 895 B7R0.3 CCC(=O)NCC#C 1P01A44S [1,0,1,0,0,0|1,0,1]=4 896 B7R0.3 CCCNC(=O)CC 1P00CZT8 [1,0,1,0,0,0|1,0,1]=4 897 B7R0.3 CNC(=O)NCCO 1P00EE24 [1,0,1,0,0,0|1,0,1]=4 898 B7R0.3 COC(=O)CCC=O 1P0036KR [1,0,1,0,0,0|2,0,0]=4 899 B7R0.3 COC(=O)NCCO 1P01AK5W [1,0,1,0,0,0|1,0,1]=4 900 B7R0.3 ClCC(=O)NCC=C 1P0011HW [1,0,1,0,0,0|2,0,0]=4 901 B7R0.3 NC(CO)CCC=C 1P003YA9 [1,0,1,0,0,0|1,0,1]=4 902 B7R0.3 NCC(=O)NCC=C 1P01A5GU [1,0,1,0,0,0|2,0,0]=4 903 B7R0.3 NCCNC(=O)CC 1P01DTQO [1,0,1,0,0,0|1,0,1]=4 904 B7R0.3 NCCNC(=O)CC 1P01XCPR [1,0,1,0,0,0|1,0,1]=4 905 B7R0.3 OCC(=O)NCC=C 1P01B8FI [1,0,1,0,0,0|2,0,0]=4 906 B7R0.3 OCCNC(=O)CC 1P0024IT [1,0,1,0,0,0|0,0,1]=3 907 B7R0.3 OCCNC(=O)CN 1P008OS2 [1,0,1,0,0,0|1,0,1]=4 908 B7R0.3 OCCNC(=O)CO 1P007ESF [1,0,1,0,0,0|1,0,1]=4 909 B7R0.3 OCCOC(=O)CC 1P002P1Q [1,0,1,0,0,0|1,0,1]=4 910 B7R0.4 BrCCCCC(=O)O 1P002J3W [1,0,1,0,0,0|1,0,1]=4 911 B7R0.4 C#CCCCC(=O)O 1P0034QU [1,0,1,0,0,0|1,0,1]=4 912 B7R0.4 C=CCCCC(=O)O 1P001Q42 [1,0,1,0,0,0|1,0,0]=3 913 B7R0.4 C=CCNCC(=O)O 1P00C070 [1,0,1,0,0,0|2,0,0]=4 914 B7R0.4 C=CCOCC(=O)O 1P00OS4H [1,0,1,0,0,0|2,0,0]=4 915 B7R0.4 C=CCSCC(=O)O 1P002AX8 [1,0,1,0,0,0|2,0,0]=4 916 B7R0.4 CCC#CCC(=O)O 1P00269H [1,0,1,0,0,0|1,0,1]=4 917 B7R0.4 CCCCCC(=O)N 1P003RDF [1,0,1,0,0,0|1,0,1]=4 918 B7R0.4 CCCCCC(=O)O 1P0035GM [1,0,1,0,0,0|1,0,1]=4 919 B7R0.4 CCCNCC(=O)N 1P01AM1O [1,0,1,0,0,0|1,0,1]=4 920 B7R0.4 CCCNCC(=O)O 1P019WR9 [1,0,1,0,0,0|0,0,1]=3 921 B7R0.4 CCCOCC(=O)O 1P00DDPU [1,0,1,0,0,0|1,0,1]=4 922 B7R0.4 CCCSCC(=O)O 1P002AXA [1,0,1,0,0,0|1,0,1]=4 923 B7R0.4 CCNCCC(=O)O 1P019WSK [1,0,1,0,0,0|2,0,0]=4 924 B7R0.4 CCOCCC(=O)O 1P003JUP [1,0,1,0,0,0|2,0,0]=4 925 B7R0.4 CCSCCC(=O)O 1P00FDIY [1,0,1,0,0,0|2,0,0]=4 926 B7R0.4 CC\C=C/CC(=O)O 1P0025TN [1,0,1,0,0,0|1,0,0]=3 927 B7R0.4 CC\C=C\CC(=O)O 1P001Q45 [1,0,1,0,0,0|1,0,0]=3 928 B7R0.4 CNCCCC(=O)O 1P0034AB [1,0,1,0,0,0|2,0,0]=4 929 B7R0.4 CNCCCC(=O)O 1P007DUH [1,0,1,0,0,0|2,0,0]=4 930 B7R0.4 COCCCC(=O)N 1P027LNZ [1,0,1,0,0,0|2,0,0]=4 931 B7R0.4 COCCCC(=O)O 1P002VN5 [1,0,1,0,0,0|2,0,0]=4 932 B7R0.4 CSCCCC(=O)N 1P028VPN [1,0,1,0,0,0|2,0,0]=4 933 B7R0.4 CSCCCC(=O)O 1P00MDZI [1,0,1,0,0,0|2,0,0]=4 934 B7R0.4 ClCCCCC(=O)N 1P019Y9G [1,0,1,0,0,0|1,0,1]=4 935 B7R0.4 ClCCCCC(=O)O 1P0034Q2 [1,0,1,0,0,0|1,0,1]=4 936 B7R0.4 ICCCCC(=O)O 1P027L56 [1,0,1,0,0,0|1,0,1]=4 937 B7R0.4 N#CCCCC(=O)O 1P0076GP [1,0,1,0,0,0|0,0,2]=4 938 B7R0.4 NC(=O)NCCCO 1P01AJ40 [1,0,1,0,0,0|1,0,1]=4 939 B7R0.4 NCCCCC(=O)N 1P01A4SH [1,0,1,0,0,0|1,0,1]=4 940 B7R0.4 NCCCCC(=O)O 1P00390H [1,0,1,0,0,0|0,0,1]=3 941 B7R0.4 NCCCCC(=O)O 1P003MVH [1,0,1,0,0,0|0,0,1]=3 942 B7R0.4 NCCCCC(=O)O 1P00HZV1 [1,0,1,0,0,0|0,0,1]=3 943 B7R0.4 NCCCCC(=O)O 1P01FNTV [1,0,1,0,0,0|0,0,1]=3 944 B7R0.4 NCCNCC(=O)O 1P003SPC [1,0,1,0,0,0|1,0,1]=4 945 B7R0.4 NCCNCC(=O)O 1P01DWQH [1,0,1,0,0,0|1,0,1]=4 946 B7R0.4 NCCOCC(=O)O 1P01A76U [1,0,1,0,0,0|1,0,1]=4 947 B7R0.4 NCCSCC(=O)O 1P00VUW5 [1,0,1,0,0,0|1,0,1]=4 948 B7R0.4 NOCCCC(=O)O 1P0032I9 [1,0,1,0,0,0|1,0,0]=3 949 B7R0.4 O=CCCCC(=C)C 1P024PL7 [1,0,1,0,0,0|2,0,0]=4 950 B7R0.4 O=CCCCC(=O)O 1P00EKL9 [1,0,1,0,0,0|0,0,0]=2 951 B7R0.4 OC(=O)CC=CCS 1P019UIY [1,0,1,0,0,0|2,0,0]=4 952 B7R0.4 OC(=O)CC\C=C\Br 1P00491G [1,0,1,0,0,0|1,0,1]=4 953 B7R0.4 OCCCCC(=O)C 1P00BGAI [1,0,1,0,0,0|1,0,1]=4 954 B7R0.4 OCCCCC(=O)N 1P002ZKN [1,0,1,0,0,0|0,0,1]=3 955 B7R0.4 OCCCCC(=O)[O-] 1P003ALZ [1,0,1,0,0,0|1,0,1]=4 956 B7R0.4 OCCCCC(=O)[O-] 1P01AA46 [1,0,1,0,0,0|1,0,1]=4 957 B7R0.4 OCCNCC(=O)O 1P00EFJ5 [1,0,1,0,0,0|1,0,1]=4 958 B7R0.4 OCCOCC(=O)N 1P000KEF [1,0,1,0,0,0|1,0,1]=4 959 B7R0.4 SCCCCC(=O)O 1P002ZTK [1,0,1,0,0,0|0,1,1]=4 960 B7R0.5 CC(C(=O)N)NCC 1P00J2EF [1,0,1,0,0,0|1,0,1]=4 961 B7R0.5 CC(C(=O)O)CC=C 1P001PYS [1,0,1,0,0,0|1,0,1]=4 962 B7R0.5 CC(C(=O)O)CCC 1P0033V6 [1,0,1,0,0,0|1,0,1]=4 963 B7R0.5 CC(C(=O)O)CCN 1P007QFU [1,0,1,0,0,0|2,0,0]=4 964 B7R0.5 CC(C(=O)O)CNC 1P00J2Y9 [1,0,1,0,0,0|2,0,0]=4 965 B7R0.5 CC(C(=O)O)COC 1P007XM3 [1,0,1,0,0,0|2,0,0]=4 966 B7R0.5 CC(C(=O)O)CSC 1P00EFBG [1,0,1,0,0,0|2,0,0]=4 967 B7R0.5 CC(C(=O)O)NCC 1P01DZ09 [1,0,1,0,0,0|0,0,1]=3 968 B7R0.5 CC(C(=O)O)OCC 1P00I9Y6 [1,0,1,0,0,0|1,0,1]=4 969 B7R0.5 CC(C(=O)O)SCC 1P002A2O [1,0,1,0,0,0|1,0,1]=4 970 B7R0.5 CCCC(C(=O)N)N 1P01B51A [1,0,1,0,0,0|1,0,1]=4 971 B7R0.5 CCCC(C(=O)O)Br 1P003H9U [1,0,1,0,0,0|1,0,1]=4 972 B7R0.5 CCCC(C(=O)O)F 1P00B18T [1,0,1,0,0,0|1,0,1]=4 973 B7R0.5 CCCC(C(=O)O)N 1P0036YR [1,0,1,0,0,0|0,0,1]=3 974 B7R0.5 CCCC(C(=O)O)O 1P00EBYM [1,0,1,0,0,0|1,0,1]=4 975 B7R0.5 CCCC(C(=O)O)S 1P00KF9S [1,0,1,0,0,0|1,0,1]=4 976 B7R0.5 CCC[C@@H](C(=O)N)N 1P0006EZ [1,0,1,0,0,0|1,0,1]=4 977 B7R0.5 CCC[C@@H](C(=O)O)Br 1P00C8EN [1,0,1,0,0,0|1,0,1]=4 978 B7R0.5 CCC[C@@H](C(=O)O)N 1P003RTO [1,0,1,0,0,0|0,0,1]=3 979 B7R0.5 CCC[C@@H](C(=O)O)O 1P00C8CR [1,0,1,0,0,0|1,0,1]=4 980 B7R0.5 CCC[C@H](C(=O)O)Br 1P01HPLB [1,0,1,0,0,0|1,0,1]=4 981 B7R0.5 CCC[C@H](C(=O)O)N 1P002DST [1,0,1,0,0,0|0,0,1]=3 982 B7R0.5 CCC[C@H](C(=O)O)O 1P00CDG2 [1,0,1,0,0,0|1,0,1]=4 983 B7R0.5 CNC[C@@H](C(=O)O)N 1P001S54 [1,0,1,0,0,0|1,0,1]=4 984 B7R0.5 CNC[C@@H](C(=O)O)N 1P0290I6 [1,0,1,0,0,0|1,0,1]=4 985 B7R0.5 COCC(C(=O)O)N 1P00I6NY [1,0,1,0,0,0|1,0,1]=4 986 B7R0.5 COCC(C(=O)O)N 1P01A5C9 [1,0,1,0,0,0|1,0,1]=4 987 B7R0.5 COC[C@@H](C(=O)O)N 1P002BNL [1,0,1,0,0,0|1,0,1]=4 988 B7R0.5 COC[C@@H](C(=O)O)N 1P0037T9 [1,0,1,0,0,0|1,0,1]=4 989 B7R0.5 COC[C@H](C(=O)O)N 1P0032VH [1,0,1,0,0,0|1,0,1]=4 990 B7R0.5 COC[C@H](C(=O)O)N 1P004LJ9 [1,0,1,0,0,0|1,0,1]=4 991 B7R0.5 CSC[C@@H](C(=O)O)N 1P003UQQ [1,0,1,0,0,0|1,0,1]=4 992 B7R0.5 C[C@@H](C(=O)O)CC=C 1P01GUL6 [1,0,1,0,0,0|1,0,1]=4 993 B7R0.5 C[C@@H](C(=O)O)COC 1P027VIC [1,0,1,0,0,0|2,0,0]=4 994 B7R0.5 C[C@@H](C(=O)O)NCC 1P00ENDL [1,0,1,0,0,0|0,0,1]=3 995 B7R0.5 C[C@H](C(=O)O)COC 1P01AG1F [1,0,1,0,0,0|2,0,0]=4 996 B7R0.5 C[C@H](C(=O)O)NCC 1P01J7GU [1,0,1,0,0,0|0,0,1]=3 997 B7R0.5 C[Se]C[C@@H](C(=O)O)N 1P002RYO [1,0,1,0,0,0|1,0,1]=4 998 B7R0.5 NC(C(=O)O)CC#C 1P001YWB [1,0,1,0,0,0|0,0,2]=4 999 B7R0.5 NC(C(=O)O)CC#C 1P0037TV [1,0,1,0,0,0|0,0,2]=4 1000 B7R0.5 NC(C(=O)O)CC=C 1P00ID8H [1,0,1,0,0,0|0,0,1]=3 1001 B7R0.5 NC(C(=O)O)CCCl 1P028VVG [1,0,1,0,0,0|1,0,0]=3 1002 B7R0.5 NC(C(=O)O)CCF 1P01B2JO [1,0,1,0,0,0|1,0,0]=3 1003 B7R0.5 NC(C(=O)O)CCN 1P0030UF [1,0,1,0,0,0|1,0,0]=3 1004 B7R0.5 NC(C(=O)O)CCS 1P00396E [1,0,1,0,0,0|0,1,0]=3 1005 B7R0.5 NCCC(C(=O)O)F 1P002TO1 [1,0,1,0,0,0|2,0,0]=4 1006 B7R0.5 NCCC(C(=O)O)N 1P003598 [1,0,1,0,0,0|1,0,0]=3 1007 B7R0.5 NCCC(C(=O)O)O 1P0039EQ [1,0,1,0,0,0|2,0,0]=4 1008 B7R0.5 NCC[C@@H](C(=O)O)N 1P002H9V [1,0,1,0,0,0|1,0,0]=3 1009 B7R0.5 NCC[C@@H](C(=O)O)O 1P003CUM [1,0,1,0,0,0|2,0,0]=4 1010 B7R0.5 NCC[C@H](C(=O)O)N 1P000XM3 [1,0,1,0,0,0|1,0,0]=3 1011 B7R0.5 NCC[C@H](C(=O)O)O 1P000EBP [1,0,1,0,0,0|2,0,0]=4 1012 B7R0.5 N[C@@H](C(=O)O)CC#C 1P002N2N [1,0,1,0,0,0|0,0,2]=4 1013 B7R0.5 N[C@@H](C(=O)O)CC#C 1P00GROI [1,0,1,0,0,0|0,0,2]=4 1014 B7R0.5 N[C@@H](C(=O)O)CC=C 1P003POY [1,0,1,0,0,0|0,0,1]=3 1015 B7R0.5 N[C@@H](C(=O)O)CC=C 1P007D56 [1,0,1,0,0,0|0,0,1]=3 1016 B7R0.5 N[C@@H](C(=O)O)CCN 1P007MVB [1,0,1,0,0,0|1,0,0]=3 1017 B7R0.5 N[C@@H](C(=O)O)CCS 1P00ECTR [1,0,1,0,0,0|0,1,0]=3 1018 B7R0.5 N[C@H](C(=O)O)CC#C 1P002C6G [1,0,1,0,0,0|0,0,2]=4 1019 B7R0.5 N[C@H](C(=O)O)CC#C 1P002N2O [1,0,1,0,0,0|0,0,2]=4 1020 B7R0.5 N[C@H](C(=O)O)CC=C 1P001UJ3 [1,0,1,0,0,0|0,0,1]=3 1021 B7R0.5 N[C@H](C(=O)O)CC=C 1P003CU8 [1,0,1,0,0,0|0,0,1]=3 1022 B7R0.5 N[C@H](C(=O)O)CCBr 1P003CX0 [1,0,1,0,0,0|1,0,0]=3 1023 B7R0.5 N[C@H](C(=O)O)CCN 1P0021O4 [1,0,1,0,0,0|1,0,0]=3 1024 B7R0.5 N[C@H](C(=O)O)CCN 1P005GDQ [1,0,1,0,0,0|1,0,0]=3 1025 B7R0.5 N[C@H](C(=O)O)CCN 1P00AKKB [1,0,1,0,0,0|1,0,0]=3 1026 B7R0.5 N[C@H](C(=O)O)CCS 1P0037WB [1,0,1,0,0,0|0,1,0]=3 1027 B7R0.5 O=CNC(C(=O)O)C 1P003THZ [1,0,1,0,0,0|0,0,0]=2 1028 B7R0.5 O=CN[C@H](C(=O)O)C 1P003TI4 [1,0,1,0,0,0|0,0,0]=2 1029 B7R0.5 OC(=O)C(CC=C)Cl 1P01BIF8 [1,0,1,0,0,0|1,0,1]=4 1030 B7R0.5 OC(=O)C(CCBr)Br 1P00IBMF [1,0,1,0,0,0|2,0,0]=4 1031 B7R0.5 OC(=O)C(CCF)Br 1P0291J0 [1,0,1,0,0,0|2,0,0]=4 1032 B7R0.5 OCC[C@@H](C(=O)O)N 1P002GON [1,0,1,0,0,0|0,0,1]=3 1033 B7R0.5 OCC[C@H](C(=O)O)N 1P00355P [1,0,1,0,0,0|0,0,1]=3 1034 B7R0.6 CC(=C)CCC(=O)O 1P0001EL [1,0,1,0,0,0|2,0,0]=4 1035 B7R0.6 CC(=O)C=CC(=O)O 1P003414 [1,0,1,0,0,0|1,0,1]=4 1036 B7R0.6 CC(=O)CCC(=O)C 1P003GHY [1,0,1,0,0,0|2,0,0]=4 1037 B7R0.6 CC(=O)CCC(=O)O 1P000KEL [1,0,1,0,0,0|1,0,0]=3 1038 B7R0.6 CC(=O)NCC(=O)C 1P0036XR [1,0,1,0,0,0|1,0,0]=3 1039 B7R0.6 CC(=O)NCC(=O)N 1P002SQ3 [1,0,1,0,0,0|1,0,0]=3 1040 B7R0.6 CC(=O)NCC(=O)O 1P0033J8 [1,0,1,0,0,0|0,0,0]=2 1041 B7R0.6 CC(=O)NNC(=O)C 1P003PRJ [1,0,1,0,0,0|2,0,0]=4 1042 B7R0.6 CC(=O)OCC(=O)C 1P003IAP [1,0,1,0,0,0|2,0,0]=4 1043 B7R0.6 CC(=O)OCC(=O)Cl 1P0018ZD [1,0,1,0,0,0|2,0,0]=4 1044 B7R0.6 CC(=O)OCC(=O)O 1P0018ZE [1,0,1,0,0,0|1,0,0]=3 1045 B7R0.6 CC(=O)SCC(=O)O 1P000PI2 [1,0,1,0,0,0|1,0,0]=3 1046 B7R0.6 CC(CNC(=O)C)O 1P00719V [1,0,1,0,0,0|1,0,1]=4 1047 B7R0.6 CC(NCC(=O)O)C 1P00C901 [1,0,1,0,0,0|1,0,1]=4 1048 B7R0.6 CC(NCC(=O)O)C 1P019MFH [1,0,1,0,0,0|1,0,1]=4 1049 B7R0.6 CS(=O)CCC(=O)O 1P001DGF [1,0,1,0,0,0|2,0,0]=4 1050 B7R0.6 NC(=N)NCC(=O)O 1P003RAC [1,0,1,0,0,0|2,0,0]=4 1051 B7R0.6 NC(=O)CCC(=O)O 1P003UWV [1,0,1,0,0,0|2,0,0]=4 1052 B7R0.6 NC(=O)NCC(=O)O 1P00D8YO [1,0,1,0,0,0|1,0,0]=3 1053 B7R0.6 OB(CNC(=O)C)O 1P01A7DI [1,0,1,0,0,0|1,0,1]=4 1054 B7R0.6 OC(=O)CC=C(C)C 1P00389R [1,0,1,0,0,0|2,0,0]=4 1055 B7R0.6 OC(=O)CCC(=O)O 1P003UWX [1,0,1,0,0,0|2,0,0]=4 1056 B7R0.6 OC(=O)CCC(=O)O 1P00BCU9 [1,0,1,0,0,0|2,0,0]=4 1057 B7R0.6 OC(=O)CCC(=O)O 1P00I4UF [1,0,1,0,0,0|2,0,0]=4 1058 B7R0.6 OC(=O)CCC(=O)O 1P00I5VN [1,0,1,0,0,0|2,0,0]=4 1059 B7R0.6 OC(=O)CNC(=S)C 1P00IN1C [1,0,1,0,0,0|0,1,0]=3 1060 B7R0.6 OC(=O)CN[N+](=O)[O-] 1P009RTK [1,0,1,0,0,0|2,0,0]=4 1061 B7R0.6 [O-]C(=O)CCC(=O)C 1P002C2S [1,0,1,0,0,0|1,0,1]=4 1062 B7R0.6 [O-]C(=O)CCC(=O)C 1P003P4T [1,0,1,0,0,0|1,0,1]=4 1063 B7R0.6 [O-]C(=O)CCC(=O)C 1P00IMYY [1,0,1,0,0,0|1,0,1]=4 1064 B7R0.6 [O-]C(=O)CCC(=O)O 1P001OMB [1,0,1,0,0,0|2,0,0]=4 1065 B7R0.12 OCC(NC=O)CO 1P028XSE [1,0,1,0,0,0|1,0,1]=4 1066 B7R0.15 CCC(C(=O)N)NC 1P009E93 [1,0,1,0,0,0|1,0,1]=4 1067 B7R0.15 CCC(C(=O)O)C#N 1P00DUKD [1,0,1,0,0,0|1,0,1]=4 1068 B7R0.15 CCC(C(=O)O)C=C 1P0280ZW [1,0,1,0,0,0|1,0,0]=3 1069 B7R0.15 CCC(C(=O)O)CC 1P003HO8 [1,0,1,0,0,0|1,0,1]=4 1070 B7R0.15 CCC(C(=O)O)CN 1P01AH6Z [1,0,1,0,0,0|1,0,1]=4 1071 B7R0.15 CCC(C(=O)O)NC 1P019XQL [1,0,1,0,0,0|0,0,1]=3 1072 B7R0.15 CCC(C(=O)O)NN 1P001ROF [1,0,1,0,0,0|1,0,0]=3 1073 B7R0.15 CCC(C(=O)O)OC 1P00EE8W [1,0,1,0,0,0|1,0,1]=4 1074 B7R0.15 CCC(C(=O)O)SC 1P01A281 [1,0,1,0,0,0|1,0,1]=4 1075 B7R0.15 CC[C@@H](C(=O)N)NC 1P01XC7N [1,0,1,0,0,0|1,0,1]=4 1076 B7R0.15 CC[C@@H](C(=O)O)NC 1P0048OD [1,0,1,0,0,0|0,0,1]=3 1077 B7R0.15 CC[C@H](C(=O)O)CN 1P00IV03 [1,0,1,0,0,0|1,0,1]=4 1078 B7R0.15 CC[C@H](C(=O)O)NC 1P028GU2 [1,0,1,0,0,0|0,0,1]=3 1079 B7R0.15 CN[C@@H](C(=O)O)CO 1P006LN1 [1,0,1,0,0,0|1,0,1]=4 1080 B7R0.15 CN[C@H](C(=O)O)CO 1P009WAM [1,0,1,0,0,0|1,0,1]=4 1081 B7R0.15 CN[C@H](C(=O)O)CS 1P009BLQ [1,0,1,0,0,0|1,0,1]=4 1082 B7R0.15 COC(C(=O)O)C=C 1P0276L0 [1,0,1,0,0,0|2,0,0]=4 1083 B7R0.15 NCC(C(=O)O)NC 1P01BI8O [1,0,1,0,0,0|1,0,1]=4 1084 B7R0.2 CC(C=C)OC(=O)C 1P003JM8 [1,0,1,0,0,0|2,0,0]=4 1085 B7R0.2 CC(NC(=O)C)CCl 1P01C49W [1,0,1,0,0,0|1,0,1]=4 1086 B7R1.1 C=CC1CCCN1 1P000NZI [2,0,0,0,0,0|1,0,1]=4 1087 B7R1.1 O=CC1CC=CC1 1P002DW5 [2,0,0,0,0,0|1,0,1]=4 1088 B7R1.1 O=CC1CCCC1 1P00354L [2,0,0,0,0,0|1,0,1]=4 1089 B7R1.1 O=CC1CCCC1 1P0035E6 [2,0,0,0,0,0|1,0,1]=4 1090 B7R1.1 O=CC1CCCO1 1P0036B1 [2,0,0,0,0,0|1,0,1]=4 1091 B7R1.1 O=CC1COCC1 1P00G5BD [2,0,0,0,0,0|2,0,0]=4 1092 B7R1.1 O=CC1CSCC1 1P01BG6V [2,0,0,0,0,0|2,0,0]=4 1093 B7R1.1 OCC1CCC=C1 1P0012O5 [2,0,0,0,0,0|1,0,1]=4 1094 B7R1.1 OCC1CCCN1 1P00D8LK [2,0,0,0,0,0|0,0,2]=4 1095 B7R1.1 OCC1CCON1 1P01EKGH [2,0,0,0,0,0|1,0,1]=4 1096 B7R1.1 OC[C@@H]1CCCN1 1P0032WM [2,0,0,0,0,0|0,0,2]=4 1097 B7R1.1 OC[C@H]1CCCN1 1P003CKM [2,0,0,0,0,0|0,0,2]=4 1098 B7R1.1 OC[C@H]1CCCN1 1P00ACI8 [2,0,0,0,0,0|0,0,2]=4 1099 B7R1.2 C=C1CCC(=O)O1 1P0001BH [2,0,0,0,0,0|1,0,1]=4 1100 B7R1.2 CC1CCC(=O)C1 1P0021LM [2,0,0,0,0,0|1,0,1]=4 1101 B7R1.2 CC1CCC(=O)N1 1P0034RL [2,0,0,0,0,0|0,0,1]=3 1102 B7R1.2 CC1CCC(=O)O1 1P0035FE [2,0,0,0,0,0|1,0,1]=4 1103 B7R1.2 CC1COC(=O)N1 1P001SNQ [2,0,0,0,0,0|1,0,1]=4 1104 B7R1.2 CN1CCC(=O)N1 1P0007PB [2,0,0,0,0,0|1,0,1]=4 1105 B7R1.2 C[C@@H]1CCC(=O)C1 1P003CMA [2,0,0,0,0,0|1,0,1]=4 1106 B7R1.2 C[C@@H]1CCC(=O)N1 1P00731A [2,0,0,0,0,0|0,0,1]=3 1107 B7R1.2 C[C@@H]1CCC(=O)O1 1P00IAXM [2,0,0,0,0,0|1,0,1]=4 1108 B7R1.2 C[C@@H]1COC(=O)N1 1P0073E0 [2,0,0,0,0,0|1,0,1]=4 1109 B7R1.2 C[C@H]1CCC(=O)C1 1P00H79H [2,0,0,0,0,0|1,0,1]=4 1110 B7R1.2 C[C@H]1CCC(=O)N1 1P001OOA [2,0,0,0,0,0|0,0,1]=3 1111 B7R1.2 C[C@H]1CCC(=O)O1 1P01A6OX [2,0,0,0,0,0|1,0,1]=4 1112 B7R1.2 C[C@H]1COC(=O)N1 1P00BYK8 [2,0,0,0,0,0|1,0,1]=4 1113 B7R1.2 O=C1CCC(=O)C1 1P003322 [2,0,0,0,0,0|1,0,1]=4 1114 B7R1.2 O=C1CCC(=O)N1 1P000KDP [2,0,0,0,0,0|0,0,1]=3 1115 B7R1.2 O=C1CCC(=O)O1 1P003636 [2,0,0,0,0,0|1,0,1]=4 1116 B7R1.2 O=C1NCC(=O)N1 1P003RF2 [2,0,0,0,0,0|1,0,1]=4 1117 B7R1.2 O=C1SCC(=O)N1 1P002M4B [2,0,0,0,0,0|1,0,1]=4 1118 B7R1.2 OC1=CC(=O)CC1 1P00EEEL [2,0,0,0,0,0|1,0,1]=4 1119 B7R1.2 OC1CC(=O)NC1 1P00BFR9 [2,0,0,0,0,0|2,0,0]=4 1120 B7R1.2 OC1CC(=O)OC1 1P003BUD [2,0,0,0,0,0|2,0,0]=4 1121 B7R1.2 OC1CCC(=O)C1 1P0038LJ [2,0,0,0,0,0|1,0,0]=3 1122 B7R1.2 OC1CCC(=O)O1 1P01HSO8 [2,0,0,0,0,0|1,0,0]=3 1123 B7R1.2 O[C@@H]1CC(=O)NC1 1P003BFG [2,0,0,0,0,0|2,0,0]=4 1124 B7R1.2 O[C@@H]1CC(=O)OC1 1P003CQZ [2,0,0,0,0,0|2,0,0]=4 1125 B7R1.2 O[C@H]1CC(=O)NC1 1P0032XY [2,0,0,0,0,0|2,0,0]=4 1126 B7R1.2 O[C@H]1CC(=O)OC1 1P005F8J [2,0,0,0,0,0|2,0,0]=4 1127 B9R0.6 CC(C(C(=O)O)N)CCC 1P00EBTL [0,1,1,0,0,0|1,0,1]=4 1128 B9R0.6 CC(C(C(=O)O)N)CCC 1P0293HN [0,1,1,0,0,0|1,0,1]=4 1129 B9R0.6 CCCC(C(C(=O)O)N)O 1P01ADO4 [0,1,1,0,0,0|1,0,1]=4 1130 B9R0.6 CCCC(C(C(=O)O)N)O 1P02819B [0,1,1,0,0,0|1,0,1]=4 1131 B9R0.7 CC(=C)CC[C@H](C(=O)O)N 1P01K2MW [0,1,1,0,0,0|1,0,0]=3 1132 B9R0.7 CC(=CCC(C(=O)O)N)C 1P00CWBL [0,1,1,0,0,0|1,0,1]=4 1133 B9R0.7 CC(=CC[C@@H](C(=O)O)N)C 1P00B7JU [0,1,1,0,0,0|1,0,1]=4 1134 B9R0.7 CC(=CC[C@H](C(=O)O)N)C 1P00GORO [0,1,1,0,0,0|1,0,1]=4 1135 B9R0.7 CC(=O)CCC(C(=O)O)N 1P01A0WV [0,1,1,0,0,0|0,0,0]=2 1136 B9R0.7 CC(=O)OC[C@@H](C(=O)O)C 1P029338 [0,1,1,0,0,0|2,0,0]=4 1137 B9R0.7 CC(=O)OC[C@@H](C(=O)O)N 1P003TW5 [0,1,1,0,0,0|1,0,0]=3 1138 B9R0.7 CC(=O)OC[C@@H](C(=O)O)N 1P00DDM1 [0,1,1,0,0,0|1,0,0]=3 1139 B9R0.7 CC(=O)OC[C@H](C(=O)O)N 1P00C4VL [0,1,1,0,0,0|1,0,0]=3 1140 B9R0.7 CC(=O)SC[C@@H](C(=O)O)N 1P00FCOW [0,1,1,0,0,0|1,0,0]=3 1141 B9R0.7 CS(=O)CCC(C(=O)N)N 1P028PN9 [0,1,1,0,0,0|2,0,0]=4 1142 B9R0.7 CS(=O)CCC(C(=O)O)N 1P003QB0 [0,1,1,0,0,0|1,0,0]=3 1143 B9R0.7 CS(=O)CCC(C(=O)O)O 1P027TQ0 [0,1,1,0,0,0|2,0,0]=4 1144 B9R0.7 CS(=O)CC[C@@H](C(=O)O)N 1P00I6KX [0,1,1,0,0,0|1,0,0]=3 1145 B9R0.7 CS(=O)CC[C@H](C(=O)O)N 1P002LC9 [0,1,1,0,0,0|1,0,0]=3 1146 B9R0.7 NC(=N)NC[C@@H](C(=O)O)N 1P01FSWS [0,1,1,0,0,0|2,0,0]=4 1147 B9R0.7 NC(=O)CCC(C(=O)O)N 1P00FDCC [0,1,1,0,0,0|0,0,0]=2 1148 B9R0.7 NC(=O)CCC(C(=O)O)N 1P01DL0Z [0,1,1,0,0,0|0,0,0]=2 1149 B9R0.7 NC(=O)CC[C@@H](C(=O)N)N 1P002DSS [0,1,1,0,0,0|1,0,0]=3 1150 B9R0.7 NC(=O)CC[C@@H](C(=O)N)N 1P00BF88 [0,1,1,0,0,0|1,0,0]=3 1151 B9R0.7 NC(=O)CC[C@@H](C(=O)O)N 1P0035JK [0,1,1,0,0,0|0,0,0]=2 1152 B9R0.7 NC(=O)CC[C@H](C(=O)O)N 1P00IB1D [0,1,1,0,0,0|0,0,0]=2 1153 B9R0.7 NC(=O)NC[C@@H](C(=O)O)N 1P001G1Y [0,1,1,0,0,0|1,0,0]=3 1154 B9R0.7 NC(C(=O)O)CCC(C)C 1P00CJQB [0,1,1,0,0,0|1,0,1]=4 1155 B9R0.7 NC(C(=O)O)CCC(C)C 1P01AITT [0,1,1,0,0,0|1,0,1]=4 1156 B9R0.7 NC(C(=O)O)CCC(F)F 1P027ZHH [0,1,1,0,0,0|1,0,1]=4 1157 B9R0.7 NC(C(=O)O)CCN(C)C 1P01ALSQ [0,1,1,0,0,0|2,0,0]=4 1158 B9R0.7 NC(C(=O)O)CC[S+](C)C 1P003QAY [0,1,1,0,0,0|2,0,0]=4 1159 B9R0.7 NC(C(=O)O)CC[S+](C)C 1P01NOH7 [0,1,1,0,0,0|2,0,0]=4 1160 B9R0.7 N[C@@H](C(=O)O)CCC(C)C 1P0019XG [0,1,1,0,0,0|1,0,1]=4 1161 B9R0.7 N[C@@H](C(=O)O)CCC(C)C 1P01EM0N [0,1,1,0,0,0|1,0,1]=4 1162 B9R0.7 N[C@@H](C(=O)O)CCC(F)F 1P02900E [0,1,1,0,0,0|1,0,1]=4 1163 B9R0.7 N[C@H](C(=O)O)CCC(C)C 1P0034RK [0,1,1,0,0,0|1,0,1]=4 1164 B9R0.7 N[C@H](C(=O)O)CCC(C)C 1P00HT6X [0,1,1,0,0,0|1,0,1]=4 1165 B9R0.7 N[C@H](C(=O)O)CCC(F)F 1P028THG [0,1,1,0,0,0|1,0,1]=4 1166 B9R0.7 N[C@H](C(=O)O)CCN(C)C 1P028SYH [0,1,1,0,0,0|2,0,0]=4 1167 B9R0.7 OC(=O)CCC(=O)C(=O)O 1P003HYM [0,1,1,0,0,0|1,0,1]=4 1168 B9R0.7 OC(=O)CCC(=O)C(=O)O 1P00I9R1 [0,1,1,0,0,0|1,0,1]=4 1169 B9R0.7 OC(=O)CCC(=O)C(=O)O 1P00IKSF [0,1,1,0,0,0|1,0,1]=4 1170 B9R0.7 OC(=O)CCC(C(=O)C)C 1P024QKZ [0,1,1,0,0,0|2,0,0]=4 1171 B9R0.7 OC(=O)CCC(C(=O)O)N 1P00EW2H [0,1,1,0,0,0|0,0,0]=2 1172 B9R0.7 OC(=O)CCC(C(=O)O)[15NH2] 1P00C266 [0,1,1,0,0,0|0,0,0]=2 1173 B9R0.7 OC(=O)CC[C@@H](C(=O)N)N 1P00E9XH [0,1,1,0,0,0|1,0,0]=3 1174 B9R0.7 OC(=O)CC[C@@H](C(=O)O)N 1P002GVG [0,1,1,0,0,0|0,0,0]=2 1175 B9R0.7 OC(=O)CC[C@@H](C(=O)O)N 1P0037PA [0,1,1,0,0,0|0,0,0]=2 1176 B9R0.7 OC(=O)CC[C@@H](C(=O)O)N 1P003AI8 [0,1,1,0,0,0|0,0,0]=2 1177 B9R0.7 OC(=O)CC[C@@H](C(=O)O)O 1P000VMI [0,1,1,0,0,0|1,0,0]=3 1178 B9R0.7 OC(=O)CC[C@@H](C(=O)[O-])N 1P003RNH [0,1,1,0,0,0|0,0,1]=3 1179 B9R0.7 OC(=O)CC[C@@H](C(=O)[O-])N 1P003RQN [0,1,1,0,0,0|0,0,1]=3 1180 B9R0.7 OC(=O)CC[C@H](C(=O)N)N 1P0074V8 [0,1,1,0,0,0|1,0,0]=3 1181 B9R0.7 OC(=O)CC[C@H](C(=O)O)C 1P003CM1 [0,1,1,0,0,0|1,0,0]=3 1182 B9R0.7 OC(=O)CC[C@H](C(=O)O)N 1P003PQY [0,1,1,0,0,0|0,0,0]=2 1183 B9R0.7 OC(=O)CC[C@H](C(=O)O)O 1P009WQ7 [0,1,1,0,0,0|1,0,0]=3 1184 B9R0.7 OC(=O)CNC(C(=O)O)C 1P00C9CS [0,1,1,0,0,0|2,0,0]=4 1185 B9R0.7 OC(=O)CN[C@H](C(=O)O)C 1P00EL0F [0,1,1,0,0,0|2,0,0]=4 1186 B9R0.7 OP(=O)CC[C@@H](C(=O)O)N 1P0289LP [0,1,1,0,0,0|1,0,0]=3 1187 B9R0.7 [15NH2]C(=O)CC[C@@H](C(=O)O)[15NH2] 1P00C268 [0,1,1,0,0,0|0,0,0]=2 1188 B9R0.7 [O-]C(=O)CCC(C(=O)[O-])O 1P00CACC [0,1,1,0,0,0|1,0,1]=4 1189 B9R0.7 [O-]C(=O)CC[C@@H](C(=O)O)N 1P00HWQS [0,1,1,0,0,0|0,0,0]=2 1190 B9R0.7 [O-]C(=O)CC[C@@H](C(=O)[O-])O 1P00EFE5 [0,1,1,0,0,0|1,0,1]=4 1191 B9R0.7 [O-]C(=O)CC[C@H](C(=O)[O-])O 1P007Y40 [0,1,1,0,0,0|1,0,1]=4 1192 B9R0.8 CCCCC(C(=O)NO)N 1P0018PW [0,1,1,0,0,0|1,0,1]=4 1193 B9R0.8 CCCCC(C(=O)OC)N 1P00G2YS [0,1,1,0,0,0|1,0,1]=4 1194 B9R0.8 CCCC[C@@H](C(=O)OC)N 1P0038ET [0,1,1,0,0,0|1,0,1]=4 1195 B9R0.8 CCCC[C@H](C(=O)OC)N 1P00EE4E [0,1,1,0,0,0|1,0,1]=4 1196 B9R0.8 COC(=O)C(CCC#C)N 1P027VY8 [0,1,1,0,0,0|1,0,1]=4 1197 B9R0.8 COC(=O)C(CCC=C)N 1P01EMGA [0,1,1,0,0,0|1,0,0]=3 1198 B9R0.8 COC(=O)C(CCCF)N 1P028YDD [0,1,1,0,0,0|1,0,1]=4 1199 B9R0.8 COC(=O)[C@@H](CCC#C)N 1P028P5V [0,1,1,0,0,0|1,0,1]=4 1200 B9R0.8 COC(=O)[C@H](CCC#C)N 1P028HYP [0,1,1,0,0,0|1,0,1]=4 1201 B9R0.8 COCCC(C(=O)OC)N 1P01BCY3 [0,1,1,0,0,0|2,0,0]=4 1202 B9R0.8 CSCC[C@@H](C(=O)NO)N 1P002GJU [0,1,1,0,0,0|2,0,0]=4 1203 B9R0.8 CSCC[C@@H](C(=O)OC)N 1P001SP1 [0,1,1,0,0,0|2,0,0]=4 1204 B9R0.8 CSCC[C@H](C(=O)OC)N 1P005W50 [0,1,1,0,0,0|2,0,0]=4 1205 B9R0.8 NCCC[C@@H](C(=O)OC)N 1P0074HO [0,1,1,0,0,0|1,0,1]=4 1206 B9R0.8 [Zn+]OC(=O)[C@H](CCSC)N 1P00IAIY [0,1,1,0,0,0|2,0,0]=4 1207 B9R0.13 CCCC[C@@H](C(=O)O)NC 1P001ZCO [0,1,1,0,0,0|1,0,1]=4 1208 B9R0.13 CSCC[C@@H](C(=O)O)NC 1P0072CD [0,1,1,0,0,0|2,0,0]=4 1209 B9R0.13 NCCC[C@H](C(=O)O)NC 1P028UBV [0,1,1,0,0,0|1,0,1]=4 1210 B9R0.42 CCC(CC(C(=O)O)N)C 1P019ZGJ [0,1,1,0,0,0|1,0,1]=4 1211 B9R0.42 CCC(C[C@@H](C(=O)O)N)C 1P028FBT [0,1,1,0,0,0|1,0,1]=4 1212 B9R0.42 CCC(C[C@@H](C(=O)O)N)C 1P028UKV [0,1,1,0,0,0|1,0,1]=4 1213 B9R0.42 FC[C@H](C[C@@H](C(=O)O)N)C 1P0293LN [0,1,1,0,0,0|1,0,1]=4 1214 B9R0.42 OCC(C[C@@H](C(=O)O)N)C 1P007FA8 [0,1,1,0,0,0|0,0,2]=4 1215 B9R0.47 C#CCCCC(C(=O)O)N 1P028PZ2 [0,1,1,0,0,0|1,0,1]=4 1216 B9R0.47 C#CCCC[C@@H](C(=O)O)N 1P00G8TC [0,1,1,0,0,0|1,0,1]=4 1217 B9R0.47 C=CCCCC(C(=O)O)N 1P00GWZT [0,1,1,0,0,0|1,0,0]=3 1218 B9R0.47 C=CCCC[C@@H](C(=O)O)C 1P027U73 [0,1,1,0,0,0|2,0,0]=4 1219 B9R0.47 C=CCCC[C@@H](C(=O)O)N 1P00AMM1 [0,1,1,0,0,0|1,0,0]=3 1220 B9R0.47 C=CCCC[C@H](C(=O)O)N 1P0086LR [0,1,1,0,0,0|1,0,0]=3 1221 B9R0.47 CC(C(=O)O)OCCC=C 1P019YKX [0,1,1,0,0,0|2,0,0]=4 1222 B9R0.47 CCCCCC(C(=O)O)N 1P003H03 [0,1,1,0,0,0|1,0,1]=4 1223 B9R0.47 CCCCC[C@@H](C(=O)O)N 1P00DCUE [0,1,1,0,0,0|1,0,1]=4 1224 B9R0.47 CCCCC[C@H](C(=O)O)N 1P0037WI [0,1,1,0,0,0|1,0,1]=4 1225 B9R0.47 CCCSCC(C(=O)O)N 1P019VBS [0,1,1,0,0,0|1,0,1]=4 1226 B9R0.47 CCSCCC(C(=O)O)N 1P005QP7 [0,1,1,0,0,0|1,0,1]=4 1227 B9R0.47 CCSCC[C@@H](C(=O)O)N 1P000VD0 [0,1,1,0,0,0|1,0,1]=4 1228 B9R0.47 CCSCC[C@H](C(=O)O)N 1P003PQH [0,1,1,0,0,0|1,0,1]=4 1229 B9R0.47 CC[Se]CCC(C(=O)O)N 1P00C2XO [0,1,1,0,0,0|1,0,1]=4 1230 B9R0.47 COCCCC(C(=O)O)N 1P01A0OO [0,1,1,0,0,0|0,0,2]=4 1231 B9R0.47 CSCCCC(C(=O)O)N 1P028FLE [0,1,1,0,0,0|0,1,1]=4 1232 B9R0.47 CSCSC[C@@H](C(=O)O)N 1P01ELWG [0,1,1,0,0,0|2,0,0]=4 1233 B9R0.47 NCCCCC(C(=O)O)N 1P003QAT [0,1,1,0,0,0|1,0,1]=4 1234 B9R0.47 NCCCCC(C(=O)O)N 1P003QAU [0,1,1,0,0,0|1,0,1]=4 1235 B9R0.47 NCCCCC(C(=O)O)N 1P005IL6 [0,1,1,0,0,0|1,0,1]=4 1236 B9R0.47 NCCCC[C@@H](C(=O)O)N 1P002CX7 [0,1,1,0,0,0|1,0,1]=4 1237 B9R0.47 NCCCC[C@@H](C(=O)O)N 1P0032XE [0,1,1,0,0,0|1,0,1]=4 1238 B9R0.47 NCCCC[C@@H](C(=O)O)N 1P003RTC [0,1,1,0,0,0|1,0,1]=4 1239 B9R0.47 NCCCC[C@@H](C(=O)O)N 1P003RTF [0,1,1,0,0,0|1,0,1]=4 1240 B9R0.47 NCCCC[C@@H](C(=O)O)N 1P00I5NB [0,1,1,0,0,0|1,0,1]=4 1241 B9R0.47 NCCCC[C@@H](C(=O)O)N 1P00IBZD [0,1,1,0,0,0|1,0,1]=4 1242 B9R0.47 NCCCC[C@H](C(=O)O)N 1P003QBH [0,1,1,0,0,0|1,0,1]=4 1243 B9R0.47 NCCCC[C@H](C(=O)O)N 1P003QBI [0,1,1,0,0,0|1,0,1]=4 1244 B9R0.47 NOCCC[C@@H](C(=O)O)N 1P01A5W3 [0,1,1,0,0,0|0,0,2]=4 1245 B9R0.47 N[C@@H](C(=O)O)CSCC=C 1P005EWC [0,1,1,0,0,0|1,0,0]=3 1246 B9R0.47 N[C@H](C(=O)O)CNC=NN 1P001FZP [0,1,1,0,0,0|2,0,0]=4 1247 B9R0.47 N[C@H](C(=O)O)COCCN 1P008SXM [0,1,1,0,0,0|1,0,1]=4 1248 B9R0.47 N[C@H](C(=O)O)CSCC#C 1P003CPH [0,1,1,0,0,0|1,0,1]=4 1249 B9R0.47 N[C@H](C(=O)O)CSCC=C 1P00361E [0,1,1,0,0,0|1,0,0]=3 1250 B9R0.47 N[C@H](C(=O)O)CSCCN 1P00C15N [0,1,1,0,0,0|1,0,1]=4 1251 B9R0.47 OCCCC[C@H](C(=O)O)N 1P01B5HC [0,1,1,0,0,0|0,0,2]=4 1252 B9R0.47 ONCCC[C@@H](C(=O)O)N 1P01FN0V [0,1,1,0,0,0|0,0,2]=4 1253 B9R0.47 [N-]=[N+]=NCC[C@@H](C(=O)O)N 1P000QNQ [0,1,1,0,0,0|2,0,0]=4 1254 B9R0.47 [N-]=[N+]=NCC[C@@H](C(=O)O)N 1P00GVPP [0,1,1,0,0,0|2,0,0]=4 1255 B9R0.51 C=CCCC(C(=O)O)(C)C 1P00EBFA [0,1,1,0,0,0|2,0,0]=4 1256 B9R0.51 C=CCCC(C(=O)O)(F)F 1P028ENJ [0,1,1,0,0,0|2,0,0]=4 1257 B9R0.51 CC(C(=O)O)(CCCC)N 1P028TIU [0,1,1,0,0,0|1,0,1]=4 1258 B9R0.23 CC(C(=O)OC)CC(=O)O 1P01A0JP [0,1,1,0,0,0|2,0,0]=4 1259 B9R0.23 CN(C(=O)C=C)CC(=O)O 1P01BG7D [0,1,1,0,0,0|0,0,2]=4 1260 B9R0.23 CN(C(=O)CN)CC(=O)O 1P00BDRD [0,1,1,0,0,0|1,0,0]=3 1261 B9R0.23 CN(C(=O)OC)CC(=O)O 1P019NG3 [0,1,1,0,0,0|1,0,0]=3 1262 B9R0.23 COC(=O)C(=C)CC(=O)O 1P019TQA [0,1,1,0,0,0|2,0,0]=4 1263 B9R0.23 COC(=O)C(CC(=O)O)Br 1P01BBUO [0,1,1,0,0,0|2,0,0]=4 1264 B9R0.23 COC(=O)C(CC(=O)O)N 1P006RMB [0,1,1,0,0,0|2,0,0]=4 1265 B9R0.23 COC(=O)[C@@H](CC(=O)O)N 1P00ECMP [0,1,1,0,0,0|2,0,0]=4 1266 B9R0.23 COC(=O)[C@@H](CC(=O)O)O 1P004VIL [0,1,1,0,0,0|2,0,0]=4 1267 B9R0.23 COC(=O)[C@H](CC(=O)O)O 1P00FE7L [0,1,1,0,0,0|2,0,0]=4 1268 B9R0.24 BrCC(=O)CCC(=O)OC 1P00DMCL [0,1,1,0,0,0|2,0,0]=4 1269 B9R0.24 CCC(=O)CCC(=O)CC 1P002Z6N [0,1,1,0,0,0|2,0,0]=4 1270 B9R0.24 CCC(=O)CCC(=O)OC 1P002Z6O [0,1,1,0,0,0|1,0,0]=3 1271 B9R0.24 CCC(=O)CNC(=O)CCl 1P01A6VR [0,1,1,0,0,0|2,0,0]=4 1272 B9R0.24 CCC(NCC(=O)OC)C 1P01A2BK [0,1,1,0,0,0|1,0,1]=4 1273 B9R0.24 COC(=O)CCC(=O)OC 1P003580 [0,1,1,0,0,0|2,0,0]=4 1274 B9R0.24 ClCC(=O)CCC(=O)OC 1P01BG0S [0,1,1,0,0,0|2,0,0]=4 1275 B9R0.24 ClCC(=O)NCC(=O)NC 1P004A5S [0,1,1,0,0,0|2,0,0]=4 1276 B9R0.24 ClCC(=O)NCC(=O)OC 1P005S40 [0,1,1,0,0,0|1,0,0]=3 1277 B9R0.24 NCC(=O)CCC(=O)OC 1P0036XD [0,1,1,0,0,0|2,0,0]=4 1278 B9R0.24 NCC(=O)NCC(=O)NC 1P00K0LB [0,1,1,0,0,0|2,0,0]=4 1279 B9R0.24 NCC(=O)NCC(=O)OC 1P002V5M [0,1,1,0,0,0|1,0,0]=3 1280 B9R0.24 NNC(=O)NCC(=O)OC 1P01A5SN [0,1,1,0,0,0|2,0,0]=4 1281 B9R0.24 OCC(=O)CCC(=O)OC 1P028ZPH [0,1,1,0,0,0|2,0,0]=4 1282 B9R0.48 CCCC(=O)CCC(=O)C 1P00399S [0,1,1,0,0,0|2,0,0]=4 1283 B9R0.48 CCCC(=O)CCC(=O)O 1P0065J5 [0,1,1,0,0,0|1,0,0]=3 1284 B9R0.48 CCCC(=O)NCC(=O)N 1P01DWZP [0,1,1,0,0,0|1,0,0]=3 1285 B9R0.48 CCCC(=O)NCC(=O)O 1P0028IS [0,1,1,0,0,0|0,0,0]=2 1286 B9R0.48 CCNC(=O)CCC(=O)O 1P01AB1G [0,1,1,0,0,0|1,0,0]=3 1287 B9R0.48 CCNC(=S)NCC(=O)O 1P00AH7Q [0,1,1,0,0,0|0,1,0]=3 1288 B9R0.48 CCOC(=O)CCC(=O)C 1P0035D3 [0,1,1,0,0,0|2,0,0]=4 1289 B9R0.48 CCOC(=O)CCC(=O)N 1P00D9KH [0,1,1,0,0,0|2,0,0]=4 1290 B9R0.48 CCOC(=O)CCC(=O)O 1P0035QH [0,1,1,0,0,0|1,0,0]=3 1291 B9R0.48 CCOC(=O)NCC(=O)O 1P019N08 [0,1,1,0,0,0|0,0,0]=2 1292 B9R0.48 CCOC(=O)\C=C/C(=O)O 1P003SM8 [0,1,1,0,0,0|1,0,1]=4 1293 B9R0.48 CCOC(=O)\C=C\C(=O)O 1P002P5C [0,1,1,0,0,0|1,0,1]=4 1294 B9R0.48 COCC(NCC(=O)O)C 1P01ABIZ [0,1,1,0,0,0|1,0,1]=4 1295 B9R0.48 NCCC(=O)NCC(=O)O 1P01BG3Y [0,1,1,0,0,0|0,0,0]=2 1296 B9R0.64 CCS(=O)(=O)NCC(=O)O 1P00GUWM [0,1,1,0,0,0|1,0,0]=3 1297 B9R0.64 CNS(=O)(=O)NCC(=O)O 1P01AEUO [0,1,1,0,0,0|2,0,0]=4 1298 B9R0.12 CCNC(C(=O)OC)CC 1P01EJHM [0,1,1,0,0,0|1,0,1]=4 1299 B9R0.15 CCCC(C(=O)O)CC=C 1P001PYT [0,1,1,0,0,0|2,0,0]=4 1300 B9R0.29 CCN(C(C(=O)O)CC)C 1P00J2BH [0,1,1,0,0,0|1,0,1]=4 1301 B9R0.33 C=CCC(C(=O)O)C(C)C 1P02020B [0,1,1,0,0,0|2,0,0]=4 1302 B9R0.33 CCNC(C(=O)O)C(C)C 1P01AAZK [0,1,1,0,0,0|1,0,1]=4 1303 B9R0.39 CCC(C(=O)Cl)CC(=O)Cl 1P003QQQ [0,1,1,0,0,0|2,0,0]=4 1304 B9R0.39 CCC(C(=O)O)CC(=O)O 1P003917 [0,1,1,0,0,0|1,0,0]=3 1305 B9R0.39 CCC(C(=O)O)NC(=O)C 1P003T5D [0,1,1,0,0,0|0,0,0]=2 1306 B9R0.39 CCC(C(=O)O)NC(=O)N 1P00DA9X [0,1,1,0,0,0|0,0,0]=2 1307 B9R0.39 CCC(C(=O)O)NC(C)C 1P01B202 [0,1,1,0,0,0|1,0,1]=4 1308 B9R0.39 CC[C@H](C(=O)O)NC(=O)C 1P00C8CK [0,1,1,0,0,0|0,0,0]=2 1309 B9R0.39 CC\C(=C/C(=O)O)\C(=O)O 1P0282XS [0,1,1,0,0,0|1,0,1]=4 1310 B9R0.39 CNC(C(=O)O)CC(=O)O 1P00BIDR [0,1,1,0,0,0|2,0,0]=4 1311 B9R0.39 CN[C@@H](C(=O)O)CC(=O)O 1P003TNX [0,1,1,0,0,0|2,0,0]=4 1312 B9R0.39 CN[C@H](C(=O)O)CC(=O)N 1P0062X5 [0,1,1,0,0,0|2,0,0]=4 1313 B9R0.39 CN[C@H](C(=O)O)CC(=O)O 1P0026EU [0,1,1,0,0,0|2,0,0]=4 1314 B9R0.39 COC(C(=O)O)CC(=O)O 1P01HCXD [0,1,1,0,0,0|2,0,0]=4 1315 B9R0.39 NCC(C(=O)O)CC(=O)O 1P00VW4U [0,1,1,0,0,0|2,0,0]=4 1316 B9R0.39 OCC(C(=O)O)NC(=O)C 1P006O7I [0,1,1,0,0,0|1,0,0]=3 1317 B9R0.39 OCC(C(=O)O)NC(=O)N 1P019K7Q [0,1,1,0,0,0|1,0,0]=3 1318 B9R0.39 OC[C@@H](C(=O)O)NC(=O)C 1P001UOS [0,1,1,0,0,0|1,0,0]=3 1319 B9R0.39 SCC(C(=O)O)NC(=O)C 1P0036IX [0,1,1,0,0,0|1,0,0]=3 1320 B9R0.39 SC[C@@H](C(=O)N)NC(=O)C 1P0036OZ [0,1,1,0,0,0|2,0,0]=4 1321 B9R0.39 SC[C@@H](C(=O)O)NC(=O)C 1P0035SO [0,1,1,0,0,0|1,0,0]=3 1322 B9R0.39 SC[C@H](C(=O)O)NC(=O)C 1P002S73 [0,1,1,0,0,0|1,0,0]=3 1323 B9R0.74 CC(C(=O)O)(CC)CC=C 1P028AA3 [0,1,1,0,0,0|2,0,0]=4 1324 B9R0.11 CC(=O)CC(C(=O)O)(C)C 1P00DZW2 [0,1,1,0,0,0|1,0,0]=3 1325 B9R0.11 CC(=O)NC(C(=O)O)(C)C 1P00DL9X [0,1,1,0,0,0|0,0,0]=2 1326 B9R0.11 CC(=O)OC(C(=O)Br)(C)C 1P003GRB [0,1,1,0,0,0|2,0,0]=4 1327 B9R0.11 CC(=O)OC(C(=O)Cl)(C)C 1P003EP7 [0,1,1,0,0,0|2,0,0]=4 1328 B9R0.11 CC(=O)OC(C(=O)O)(C)C 1P01AG9J [0,1,1,0,0,0|1,0,0]=3 1329 B9R0.11 OC(=O)CC(C(=O)O)(C)C 1P003FSH [0,1,1,0,0,0|2,0,0]=4 1330 B9R0.11 OC(=O)C[C@@](C(=O)O)(N)C 1P007K6T [0,1,1,0,0,0|2,0,0]=4 1331 B9R0.11 OC(=O)C[C@](C(=O)O)(O)C 1P003PO5 [0,1,1,0,0,0|2,0,0]=4 1332 B9R0.57 CC(C(=O)O)NC(C)(C)C 1P023JD4 [0,1,1,0,0,0|1,0,1]=4 1333 B9R0.57 OC(=O)C(CS(=O)(=O)C)C 1P019TYK [0,1,1,0,0,0|2,0,0]=4 1334 B9R0.57 OC(=O)C(NS(=O)(=O)C)C 1P00GW4O [0,1,1,0,0,0|1,0,0]=3 1335 B9R0.57 OC(=O)[C@@H](OS(=O)(=O)C)C 1P006MFY [0,1,1,0,0,0|2,0,0]=4 1336 B9R0.79 C[C@H]([C@@H](C(=O)O)C)C(=O)O 1P00ED8C [0,1,1,0,0,0|2,0,0]=4 1337 B9R0.79 OC(=O)C(C(C(=O)O)C)O 1P00VV54 [0,1,1,0,0,0|2,0,0]=4 1338 B9R0.79 OC(=O)[C@H](C(C(=O)O)C)N 1P002Z6M [0,1,1,0,0,0|2,0,0]=4 1339 B9R0.79 OC(=O)[C@H]([C@H](C(=O)O)C)O 1P01DX6B [0,1,1,0,0,0|2,0,0]=4 1340 B9R0.1 CNC(=O)CCCC(=O)[O-] 1P01A5ZQ [0,1,1,0,0,0|0,0,1]=3 1341 B9R0.1 CNC(=O)COCC(=O)O 1P01KI8J [0,1,1,0,0,0|1,0,0]=3 1342 B9R0.1 CNC(=O)NCCC(=O)O 1P01AAEE [0,1,1,0,0,0|1,0,0]=3 1343 B9R0.1 COC(=O)CCCC(=C)C 1P00CL9U [0,1,1,0,0,0|2,0,0]=4 1344 B9R0.1 COC(=O)CCCC(=O)C 1P009DOV [0,1,1,0,0,0|1,0,0]=3 1345 B9R0.1 COC(=O)CCCC(=O)Cl 1P003R8I [0,1,1,0,0,0|1,0,0]=3 1346 B9R0.1 COC(=O)CCCC(=O)[O-] 1P001MSQ [0,1,1,0,0,0|1,0,0]=3 1347 B9R0.1 COC(=O)CCCC(=S)N 1P01B92W [0,1,1,0,0,0|0,1,0]=3 1348 B9R0.1 COC(=O)CCCS(=O)C 1P01AHGE [0,1,1,0,0,0|2,0,0]=4 1349 B9R0.1 COC(=O)CCC[N+](=O)[O-] 1P000UIY [0,1,1,0,0,0|2,0,0]=4 1350 B9R0.1 COC(=O)CCNC(=O)N 1P01CAKT [0,1,1,0,0,0|1,0,0]=3 1351 B9R0.1 COC(=O)COCC(=O)C 1P00F5DE [0,1,1,0,0,0|2,0,0]=4 1352 B9R0.1 COC(=O)COCC(=O)O 1P01BA2Y [0,1,1,0,0,0|2,0,0]=4 1353 B9R0.1 COC(=O)CSCC(=O)O 1P01A7GI [0,1,1,0,0,0|2,0,0]=4 1354 B9R0.1 COC(=O)NCCC(=O)O 1P01ABX5 [0,1,1,0,0,0|2,0,0]=4 1355 B9R0.1 COC(=O)NOCC(=O)N 1P028CP6 [0,1,1,0,0,0|2,0,0]=4 1356 B9R0.1 NCC(=O)CCCC(=O)O 1P01EI7Y [0,1,1,0,0,0|0,0,0]=2 1357 B9R0.1 NNC(=O)CCCC(=O)O 1P027UB5 [0,1,1,0,0,0|0,0,0]=2 1358 B9R0.1 O=NN(CCCC(=O)O)C 1P00EFEN [0,1,1,0,0,0|2,0,0]=4 1359 B9R0.1 OC(=O)CCNC(=O)CBr 1P00415Q [0,1,1,0,0,0|2,0,0]=4 1360 B9R0.1 OC(=O)CCNC(=O)CCl 1P00DA4D [0,1,1,0,0,0|2,0,0]=4 1361 B9R0.1 OC(=O)CCOC(=O)C=C 1P002P99 [0,1,1,0,0,0|2,0,0]=4 1362 B9R0.53 CC(CC(=O)O)CC(=O)O 1P003K80 [0,1,1,0,0,0|1,0,0]=3 1363 B9R0.53 CN(CC(=O)O)CC(=O)O 1P0035V4 [0,1,1,0,0,0|2,0,0]=4 1364 B9R0.53 ClC(CC(=O)Cl)CC(=O)Cl 1P0292LZ [0,1,1,0,0,0|2,0,0]=4 1365 B9R0.53 NC(CC(=O)O)CC(=O)O 1P0074YD [0,1,1,0,0,0|1,0,0]=3 1366 B9R0.53 NC(CC(=O)O)CC(=O)O 1P007DZD [0,1,1,0,0,0|1,0,0]=3 1367 B9R0.53 O=C(CC(=O)O)CC(=O)O 1P00331V [0,1,1,0,0,0|1,0,1]=4 1368 B9R0.53 OC(=O)CC(NC(=O)C)C 1P0012TC [0,1,1,0,0,0|2,0,0]=4 1369 B9R0.53 OC(=O)CC(NC(=O)N)C 1P01B2PT [0,1,1,0,0,0|1,0,0]=3 1370 B9R0.53 OC(=O)CS(=O)CC(=O)O 1P00C0I9 [0,1,1,0,0,0|2,0,0]=4 1371 B9R0.53 OC(CC(=O)O)CC(=O)O 1P00EC3A [0,1,1,0,0,0|1,0,0]=3 1372 B9R0.56 OC(=O)CCCP(=O)(O)O 1P00DCFG [0,1,1,0,0,0|2,0,0]=4 1373 B9R0.56 OC(=O)CCCS(=O)(=O)C 1P00VUWA [0,1,1,0,0,0|2,0,0]=4 1374 B9R0.56 OC(=O)CCCS(=O)(=O)N 1P00I051 [0,1,1,0,0,0|1,0,0]=3 1375 B9R0.56 OC(=O)CCCS(=O)(=O)O 1P01GR6F [0,1,1,0,0,0|2,0,0]=4 1376 B9R1.7 C(C#N)C1CCC(=O)N1 1P00J3VJ [1,1,0,0,0,0|1,0,1]=4 1377 B9R1.7 C(C#N)[C@@H]1CCC(=O)N1 1P00FGZB [1,1,0,0,0,0|1,0,1]=4 1378 B9R1.7 C(C#N)[C@H]1CCC(=O)N1 1P009W2G [1,1,0,0,0,0|1,0,1]=4 1379 B9R1.7 C=CCC1CCC(=O)C1 1P01C4ZI [1,1,0,0,0,0|2,0,0]=4 1380 B9R1.7 C=CCC1CCC(=O)N1 1P02828T [1,1,0,0,0,0|1,0,0]=3 1381 B9R1.7 CCOC1CCC(=O)N1 1P00CHT4 [1,1,0,0,0,0|1,0,1]=4 1382 B9R1.7 CNCC1CCC(=O)N1 1P019QOM [1,1,0,0,0,0|1,0,1]=4 1383 B9R1.7 CNC[C@@H]1CCC(=O)N1 1P01C5EO [1,1,0,0,0,0|1,0,1]=4 1384 B9R1.7 CNC[C@@H]1CCC(=O)N1 1P01EICC [1,1,0,0,0,0|1,0,1]=4 1385 B9R1.7 NCCC1CCC(=O)N1 1P01BA44 [1,1,0,0,0,0|1,0,1]=4 1386 B9R1.7 NCCC1CCC(=O)N1 1P01BA45 [1,1,0,0,0,0|1,0,1]=4 1387 B9R1.7 NCC[C@@H]1CCC(=O)N1 1P01C5CZ [1,1,0,0,0,0|1,0,1]=4 1388 B9R1.7 NCC[C@@H]1CCC(=O)N1 1P01C5D0 [1,1,0,0,0,0|1,0,1]=4 1389 B9R1.7 NCC[C@H]1CCC(=O)N1 1P0289O2 [1,1,0,0,0,0|1,0,1]=4 1390 B9R1.7 OCCC1CCC(=O)N1 1P001M5D [1,1,0,0,0,0|0,0,1]=3 1391 B9R1.7 OCC[C@@H]1CCC(=O)N1 1P005J5U [1,1,0,0,0,0|0,0,1]=3 1392 B9R1.21 O=CC1CCC(C1)C=O 1P01C849 [1,1,0,0,0,0|1,0,1]=4 1393 B9R1.22 OC[C@H]1OC(=O)C[C@@H]1O 1P00C16R [1,1,0,0,0,0|1,0,1]=4 1394 B9R1.23 CCC1NC(=O)C(C1)C 1P019TH7 [1,1,0,0,0,0|1,0,1]=4 1395 B9R1.23 C[C@@H]1C[C@@H](NC1=O)CO 1P028O09 [1,1,0,0,0,0|0,0,1]=3 1396 B9R1.23 C[C@H]1C[C@@H](NC1=O)CO 1P028NU2 [1,1,0,0,0,0|0,0,1]=3 1397 B9R1.23 N[C@@H]1C[C@@H](NC1=O)CO 1P028G1C [1,1,0,0,0,0|0,0,1]=3 1398 B9R1.23 N[C@@H]1C[C@H](NC1=O)CO 1P0287XM [1,1,0,0,0,0|0,0,1]=3 1399 B9R1.23 N[C@H]1C[C@@H](NC1=O)CO 1P028YRV [1,1,0,0,0,0|0,0,1]=3 1400 B9R1.23 N[C@H]1C[C@H](NC1=O)CO 1P0206AR [1,1,0,0,0,0|0,0,1]=3 1401 B9R1.23 OC[C@@H]1C[C@H](C(=O)N1)F 1P028721 [1,1,0,0,0,0|0,0,1]=3 1402 B9R1.23 OC[C@@H]1OC(=O)[C@@H](C1)O 1P027X1N [1,1,0,0,0,0|1,0,1]=4 1403 B9R1.125 CC1(CC)CCC(=O)N1 1P028W3Z [1,1,0,0,0,0|1,0,1]=4 1404 B9R1.125 CC1(CCC(=O)N1)C#N 1P004KA3 [1,1,0,0,0,0|1,0,1]=4 1405 B9R1.125 CC1(CCC(=O)O1)C=C 1P003B29 [1,1,0,0,0,0|2,0,0]=4 1406 B9R1.125 CC1(CN)CCC(=O)N1 1P01C2U6 [1,1,0,0,0,0|1,0,1]=4 1407 B9R1.125 CC1(CO)CCC(=O)N1 1P00HDN8 [1,1,0,0,0,0|0,0,1]=3 1408 B9R1.125 CC1(CO)COC(=O)N1 1P006O0R [1,1,0,0,0,0|1,0,1]=4 1409 B9R1.132 CN1C(CBr)CCC1=O 1P01FMDW [1,1,0,0,0,0|1,0,1]=4 1410 B9R1.132 CN1C(CCC1=O)OC 1P005TAV [1,1,0,0,0,0|2,0,0]=4 1411 B9R1.132 CN1C(CCl)CCC1=O 1P01E0MV [1,1,0,0,0,0|1,0,1]=4 1412 B9R1.132 CN1C(CN)CCC1=O 1P00FDP2 [1,1,0,0,0,0|1,0,1]=4 1413 B9R1.132 CN1C(CO)CCC1=O 1P003AUL [1,1,0,0,0,0|0,0,1]=3 1414 B9R1.132 CN1[C@@H](CO)CCC1=O 1P01JUJC [1,1,0,0,0,0|0,0,1]=3 1415 B9R1.132 CN1[C@H](CN)CCC1=O 1P01XH87 [1,1,0,0,0,0|1,0,1]=4 1416 B9R1.132 CN1[C@H](CO)CCC1=O 1P01JUJO [1,1,0,0,0,0|0,0,1]=3 1417 B9R1.132 NCC1CCC(=O)N1C 1P00J3VZ [1,1,0,0,0,0|1,0,1]=4 1418 B9R1.132 O=C1N(C)[C@@H](CN)CC1 1P01H8I5 [1,1,0,0,0,0|1,0,1]=4 1419 B9R1.132 O=CC1CCC(=O)N1C 1P01C3AG [1,1,0,0,0,0|0,0,0]=2 1420 B9R1.133 OCC1CCS(=O)(=O)N1 1P01C9QD [1,1,0,0,0,0|1,0,1]=4 1421 B9R1.133 OC[C@@H]1CCS(=O)(=O)N1 1P0292WU [1,1,0,0,0,0|1,0,1]=4 1422 B9R1.11 CCC(=O)[C@@H]1CCCN1 1P01C2EY [1,1,0,0,0,0|1,0,1]=4 1423 B9R1.11 CNC(=O)C1CCCN1 1P019VH8 [1,1,0,0,0,0|1,0,1]=4 1424 B9R1.11 CNC(=O)[C@@H]1CCCN1 1P00C66X [1,1,0,0,0,0|1,0,1]=4 1425 B9R1.11 CNC(=O)[C@@H]1CCCN1 1P00DKAX [1,1,0,0,0,0|1,0,1]=4 1426 B9R1.11 COC(=O)C1CC=CC1 1P003S8R [1,1,0,0,0,0|1,0,1]=4 1427 B9R1.11 COC(=O)C1CCC=C1 1P006Y0C [1,1,0,0,0,0|1,0,0]=3 1428 B9R1.11 COC(=O)C1CCCC1 1P003973 [1,1,0,0,0,0|1,0,1]=4 1429 B9R1.11 COC(=O)C1CCCN1 1P00DFHC [1,1,0,0,0,0|0,0,1]=3 1430 B9R1.11 COC(=O)C1CCCN1 1P00G418 [1,1,0,0,0,0|0,0,1]=3 1431 B9R1.11 COC(=O)C1CCCO1 1P003SJB [1,1,0,0,0,0|1,0,1]=4 1432 B9R1.11 COC(=O)C1CCNO1 1P01FJN1 [1,1,0,0,0,0|2,0,0]=4 1433 B9R1.11 COC(=O)C1CCSS1 1P028QBT [1,1,0,0,0,0|2,0,0]=4 1434 B9R1.11 COC(=O)C1CNC=N1 1P01A1HA [1,1,0,0,0,0|1,0,1]=4 1435 B9R1.11 COC(=O)C1CNCC1 1P002CAX [1,1,0,0,0,0|2,0,0]=4 1436 B9R1.11 COC(=O)C1CNCC1 1P006RNZ [1,1,0,0,0,0|2,0,0]=4 1437 B9R1.11 COC(=O)C1COCC1 1P003A8O [1,1,0,0,0,0|2,0,0]=4 1438 B9R1.11 COC(=O)C1CSCN1 1P00C8SP [1,1,0,0,0,0|1,0,1]=4 1439 B9R1.11 COC(=O)C1NCC=C1 1P00DSTT [1,1,0,0,0,0|2,0,0]=4 1440 B9R1.11 COC(=O)C1NCCS1 1P003SJE [1,1,0,0,0,0|1,0,1]=4 1441 B9R1.11 COC(=O)C1SCC=C1 1P028CP7 [1,1,0,0,0,0|2,0,0]=4 1442 B9R1.11 COC(=O)[C@@H]1CCCN1 1P0039CV [1,1,0,0,0,0|0,0,1]=3 1443 B9R1.11 COC(=O)[C@@H]1CNCC1 1P0038SW [1,1,0,0,0,0|2,0,0]=4 1444 B9R1.11 COC(=O)[C@@H]1COCC1 1P001WPT [1,1,0,0,0,0|2,0,0]=4 1445 B9R1.11 COC(=O)[C@H]1CCCN1 1P003QCV [1,1,0,0,0,0|0,0,1]=3 1446 B9R1.11 COC(=O)[C@H]1CNCC1 1P008COF [1,1,0,0,0,0|2,0,0]=4 1447 B9R1.11 COC(=O)[C@H]1CNCC1 1P00HYFM [1,1,0,0,0,0|2,0,0]=4 1448 B9R1.11 COC(=O)[C@H]1COCC1 1P002FMR [1,1,0,0,0,0|2,0,0]=4 1449 B9R1.11 COC(=O)[C@H]1NCC=C1 1P007SWR [1,1,0,0,0,0|2,0,0]=4 1450 B9R1.11 ONC(=O)C1CCCC1 1P01AHDY [1,1,0,0,0,0|1,0,1]=4 1451 B9R1.11 ONC(=O)C1CCCN1 1P01BGWG [1,1,0,0,0,0|0,0,1]=3 1452 B9R1.41 CC1=CCSC1C(=O)O 1P02818M [1,1,0,0,0,0|2,0,0]=4 1453 B9R1.41 CC1CCCC1C(=O)O 1P00DC0Z [1,1,0,0,0,0|1,0,1]=4 1454 B9R1.41 CC1CCNC1C(=O)N 1P01ACSF [1,1,0,0,0,0|1,0,1]=4 1455 B9R1.41 CC1CCNC1C(=O)O 1P01ACYG [1,1,0,0,0,0|0,0,1]=3 1456 B9R1.41 CC1CCSC1C(=O)O 1P01FJHO [1,1,0,0,0,0|1,0,1]=4 1457 B9R1.41 CC1CNCC1C(=O)O 1P00IFPF [1,1,0,0,0,0|2,0,0]=4 1458 B9R1.41 CC1NCCC1C(=O)O 1P01B9EQ [1,1,0,0,0,0|2,0,0]=4 1459 B9R1.41 CC1OCCC1C(=O)O 1P019YUS [1,1,0,0,0,0|2,0,0]=4 1460 B9R1.41 CN1CC=CC1C(=O)O 1P00J2DU [1,1,0,0,0,0|2,0,0]=4 1461 B9R1.41 CN1CCCC1C(=O)N 1P01F9VV [1,1,0,0,0,0|1,0,1]=4 1462 B9R1.41 CN1CCCC1C(=O)O 1P0031J0 [1,1,0,0,0,0|0,0,1]=3 1463 B9R1.41 CN1CCCC1C(=O)O 1P00FBW6 [1,1,0,0,0,0|0,0,1]=3 1464 B9R1.41 CN1CCC[C@@H]1C(=O)N 1P022323 [1,1,0,0,0,0|1,0,1]=4 1465 B9R1.41 CN1CCC[C@@H]1C(=O)N 1P027XUW [1,1,0,0,0,0|1,0,1]=4 1466 B9R1.41 CN1CCC[C@@H]1C(=O)O 1P00165T [1,1,0,0,0,0|0,0,1]=3 1467 B9R1.41 CN1CCC[C@@H]1C(=O)O 1P003TOA [1,1,0,0,0,0|0,0,1]=3 1468 B9R1.41 CN1CCC[C@@H]1C(=O)O 1P00EKNA [1,1,0,0,0,0|0,0,1]=3 1469 B9R1.41 CN1CCC[C@H]1C(=O)N 1P01JJ2E [1,1,0,0,0,0|1,0,1]=4 1470 B9R1.41 CN1CCC[C@H]1C(=O)O 1P002CWB [1,1,0,0,0,0|0,0,1]=3 1471 B9R1.41 CN1CCC[C@H]1C(=O)O 1P003TOJ [1,1,0,0,0,0|0,0,1]=3 1472 B9R1.41 CN1CCC[C@H]1C(=O)O 1P00J2FD [1,1,0,0,0,0|0,0,1]=3 1473 B9R1.41 CN1CSCC1C(=O)O 1P024VSE [1,1,0,0,0,0|1,0,1]=4 1474 B9R1.41 CN1CSC[C@@H]1C(=O)O 1P00848L [1,1,0,0,0,0|1,0,1]=4 1475 B9R1.41 CN1CSC[C@H]1C(=O)O 1P00EEHV [1,1,0,0,0,0|1,0,1]=4 1476 B9R1.41 CN1CSC[C@H]1C(=O)O 1P00J2NQ [1,1,0,0,0,0|1,0,1]=4 1477 B9R1.41 C[C@@H]1CCO[C@@H]1C(=O)O 1P01AV63 [1,1,0,0,0,0|1,0,1]=4 1478 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O 1P01C684 [1,1,0,0,0,0|2,0,0]=4 1479 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O 1P00IBDN [1,1,0,0,0,0|2,0,0]=4 1480 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O 1P0085TL [1,1,0,0,0,0|0,0,1]=3 1481 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O 1P01JUUK [1,1,0,0,0,0|2,0,0]=4 1482 B9R1.41 FC1CCNC1C(=O)O 1P01A3G9 [1,1,0,0,0,0|0,0,1]=3 1483 B9R1.41 FC1CCOC1C(=O)O 1P0286FO [1,1,0,0,0,0|1,0,1]=4 1484 B9R1.41 F[C@@H]1CCN[C@H]1C(=O)O 1P028KQ9 [1,1,0,0,0,0|0,0,1]=3 1485 B9R1.41 F[C@H]1CCN[C@@H]1C(=O)O 1P01JULF [1,1,0,0,0,0|0,0,1]=3 1486 B9R1.41 F[C@H]1CCN[C@H]1C(=O)O 1P01JUL1 [1,1,0,0,0,0|0,0,1]=3 1487 B9R1.41 NC1CCCC1C(=O)O 1P000Q69 [1,1,0,0,0,0|1,0,1]=4 1488 B9R1.41 NN1CCC[C@@H]1C(=O)O 1P0004UD [1,1,0,0,0,0|0,0,1]=3 1489 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O 1P000Y63 [1,1,0,0,0,0|1,0,1]=4 1490 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O 1P019E17 [1,1,0,0,0,0|1,0,1]=4 1491 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O 1P001QMO [1,1,0,0,0,0|1,0,1]=4 1492 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)O 1P0289XM [1,1,0,0,0,0|1,0,1]=4 1493 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O 1P0039JU [1,1,0,0,0,0|1,0,1]=4 1494 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O 1P00ECRB [1,1,0,0,0,0|1,0,1]=4 1495 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 1P00182K [1,1,0,0,0,0|1,0,1]=4 1496 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 1P00ACEC [1,1,0,0,0,0|1,0,1]=4 1497 B9R1.41 N[C@H]1CNC[C@@H]1C(=O)O 1P028RT3 [1,1,0,0,0,0|2,0,0]=4 1498 B9R1.41 OC(=O)C1CCNC1=O 1P00IKC5 [1,1,0,0,0,0|2,0,0]=4 1499 B9R1.41 OC(=O)C1CNCC1F 1P01FIX0 [1,1,0,0,0,0|2,0,0]=4 1500 B9R1.41 OC(=O)[C@@H]1CNC[C@H]1F 1P028R1X [1,1,0,0,0,0|2,0,0]=4 1501 B9R1.41 OC1CCCC1C(=O)O 1P01AL3N [1,1,0,0,0,0|1,0,1]=4 1502 B9R1.41 OC1CCNC1C(=O)O 1P00EZ92 [1,1,0,0,0,0|0,0,1]=3 1503 B9R1.41 OC1CNCC1C(=O)O 1P00I0BD [1,1,0,0,0,0|2,0,0]=4 1504 B9R1.41 OC1COCC1C(=O)O 1P028X9V [1,1,0,0,0,0|2,0,0]=4 1505 B9R1.41 O[C@@H]1CCC[C@@H]1C(=O)O 1P01FLSN [1,1,0,0,0,0|1,0,1]=4 1506 B9R1.41 O[C@@H]1CCC[C@H]1C(=O)O 1P002HAD [1,1,0,0,0,0|1,0,1]=4 1507 B9R1.41 O[C@@H]1CCN[C@@H]1C(=O)O 1P00ECSY [1,1,0,0,0,0|0,0,1]=3 1508 B9R1.41 O[C@@H]1CCN[C@@H]1C(=O)O 1P01JVFB [1,1,0,0,0,0|0,0,1]=3 1509 B9R1.41 O[C@@H]1CCN[C@H]1C(=O)O 1P000PW4 [1,1,0,0,0,0|0,0,1]=3 1510 B9R1.41 O[C@@H]1CNC[C@H]1C(=O)O 1P027UI9 [1,1,0,0,0,0|2,0,0]=4 1511 B9R1.41 O[C@H]1CCC[C@@H]1C(=O)O 1P0200WK [1,1,0,0,0,0|1,0,1]=4 1512 B9R1.41 O[C@H]1CCC[C@H]1C(=O)O 1P0020L2 [1,1,0,0,0,0|1,0,1]=4 1513 B9R1.41 O[C@H]1CCN[C@@H]1C(=O)O 1P0039JX [1,1,0,0,0,0|0,0,1]=3 1514 B9R1.41 O[C@H]1CCN[C@H]1C(=O)O 1P0026T1 [1,1,0,0,0,0|0,0,1]=3 1515 B9R1.41 O[C@H]1CCN[C@H]1C(=O)O 1P00935N [1,1,0,0,0,0|0,0,1]=3 1516 B9R1.41 O[C@H]1CCN[C@H]1C(=O)O 1P00DIGA [1,1,0,0,0,0|0,0,1]=3 1517 B9R1.41 SC1CCCC1C(=O)O 1P007UL0 [1,1,0,0,0,0|1,0,1]=4 1518 B9R1.163 CC1(CCC=C1)C(=O)O 1P01AC1R [1,1,0,0,0,0|1,0,0]=3 1519 B9R1.163 CC1(NCC=C1)C(=O)O 1P02882V [1,1,0,0,0,0|2,0,0]=4 1520 B9R1.163 NC(=O)[C@]1(C)CCCN1 1P0010VJ [1,1,0,0,0,0|1,0,1]=4 1521 B9R1.163 NC(=O)[C@]1(C)CCCN1 1P01EJJ6 [1,1,0,0,0,0|1,0,1]=4 1522 B9R1.163 OC(=O)C1(Br)CCCC1 1P019YUI [1,1,0,0,0,0|1,0,1]=4 1523 B9R1.163 OC(=O)C1(C)CC=CC1 1P01A3DJ [1,1,0,0,0,0|1,0,1]=4 1524 B9R1.163 OC(=O)C1(C)CCCN1 1P00J2T3 [1,1,0,0,0,0|0,0,1]=3 1525 B9R1.163 OC(=O)C1(C)CCCO1 1P003I7E [1,1,0,0,0,0|1,0,1]=4 1526 B9R1.163 OC(=O)C1(C)CCCS1 1P019SZF [1,1,0,0,0,0|1,0,1]=4 1527 B9R1.163 OC(=O)C1(C)CNCC1 1P004C2F [1,1,0,0,0,0|2,0,0]=4 1528 B9R1.163 OC(=O)C1(C)CNCC1 1P019ZV2 [1,1,0,0,0,0|2,0,0]=4 1529 B9R1.163 OC(=O)C1(C)COCC1 1P000HHE [1,1,0,0,0,0|2,0,0]=4 1530 B9R1.163 OC(=O)C1(F)CC=CC1 1P028JR1 [1,1,0,0,0,0|1,0,1]=4 1531 B9R1.163 OC(=O)C1(F)CCCC1 1P001OLT [1,1,0,0,0,0|1,0,1]=4 1532 B9R1.163 OC(=O)C1(F)CNCC1 1P000K3D [1,1,0,0,0,0|2,0,0]=4 1533 B9R1.163 OC(=O)C1(F)CNCC1 1P01KJO6 [1,1,0,0,0,0|2,0,0]=4 1534 B9R1.163 OC(=O)C1(F)COCC1 1P01BGA5 [1,1,0,0,0,0|2,0,0]=4 1535 B9R1.163 OC(=O)C1(N)CC=CC1 1P02212S [1,1,0,0,0,0|1,0,1]=4 1536 B9R1.163 OC(=O)C1(N)CCCC1 1P00354G [1,1,0,0,0,0|1,0,1]=4 1537 B9R1.163 OC(=O)C1(N)CNCC1 1P008MRQ [1,1,0,0,0,0|2,0,0]=4 1538 B9R1.163 OC(=O)C1(N)COCC1 1P000NT7 [1,1,0,0,0,0|2,0,0]=4 1539 B9R1.163 OC(=O)C1(N)COCC1 1P00692S [1,1,0,0,0,0|2,0,0]=4 1540 B9R1.163 OC(=O)C1(N)CSCC1 1P007H07 [1,1,0,0,0,0|2,0,0]=4 1541 B9R1.163 OC(=O)C1(O)CCCC1 1P001YIZ [1,1,0,0,0,0|1,0,1]=4 1542 B9R1.163 OC(=O)C1(O)CNCC1 1P00GGKQ [1,1,0,0,0,0|2,0,0]=4 1543 B9R1.163 OC(=O)C1(O)CNCC1 1P01C5W7 [1,1,0,0,0,0|2,0,0]=4 1544 B9R1.163 OC(=O)C1(O)COCC1 1P01AEQ9 [1,1,0,0,0,0|2,0,0]=4 1545 B9R1.163 OC(=O)C1(O)CSCC1 1P01A41Y [1,1,0,0,0,0|2,0,0]=4 1546 B9R1.163 OC(=O)[C@@]1(C)CCCN1 1P000KH5 [1,1,0,0,0,0|0,0,1]=3 1547 B9R1.163 OC(=O)[C@@]1(C)CCCN1 1P00E91S [1,1,0,0,0,0|0,0,1]=3 1548 B9R1.163 OC(=O)[C@@]1(C)CCCO1 1P01HS9N [1,1,0,0,0,0|1,0,1]=4 1549 B9R1.163 OC(=O)[C@@]1(C)CNCC1 1P001GAV [1,1,0,0,0,0|2,0,0]=4 1550 B9R1.163 OC(=O)[C@@]1(N)COCC1 1P01DL2L [1,1,0,0,0,0|2,0,0]=4 1551 B9R1.163 OC(=O)[C@]1(C)CCCN1 1P001NC4 [1,1,0,0,0,0|0,0,1]=3 1552 B9R1.163 OC(=O)[C@]1(C)CCCN1 1P001TVX [1,1,0,0,0,0|0,0,1]=3 1553 B9R1.163 OC(=O)[C@]1(C)CCCO1 1P01GMXJ [1,1,0,0,0,0|1,0,1]=4 1554 B9R1.163 OC(=O)[C@]1(C)CNCC1 1P009KGH [1,1,0,0,0,0|2,0,0]=4 1555 B9R1.163 OC(=O)[C@]1(N)COCC1 1P00HT0K [1,1,0,0,0,0|2,0,0]=4 1556 B9R1.82 COC(=O)C1=CC(=O)C1 1P02863B [0,1,0,0,1,0|1,0,1]=4 1557 B9R1.82 COC(=O)C1CC(=C)C1 1P001RPF [0,1,0,0,1,0|2,0,0]=4 1558 B9R1.82 COC(=O)C1CC(=C1)Br 1P0287YC [0,1,0,0,1,0|2,0,0]=4 1559 B9R1.82 COC(=O)C1CC(=O)C1 1P0036H0 [0,1,0,0,1,0|1,0,0]=3 1560 B9R1.82 COC(=O)C1CC(N1)C 1P028N1D [0,1,0,0,1,0|1,0,1]=4 1561 B9R1.82 COC(=O)N1CC(=O)C1 1P009LOV [0,1,0,0,1,0|2,0,0]=4 1562 B9R1.82 COC(=O)[C@@H]1CC(=O)N1 1P0001ML [0,1,0,0,1,0|0,0,0]=2 1563 B9R1.82 ClCC(=O)C1CC(=O)C1 1P028UXV [0,1,0,0,1,0|2,0,0]=4 1564 B9R1.95 O=NN1CC(C1)C(=O)O 1P00K44O [0,1,0,0,1,0|2,0,0]=4 1565 B9R1.152 O=C1CC(C1)(C)C(=O)O 1P002WEW [0,1,0,0,1,0|1,0,0]=3 1566 B9R1.152 O=C1CC(C1)(N)C(=O)O 1P028HXS [0,1,0,0,1,0|1,0,0]=3 1567 B9R1.152 OC(=O)C1(C)CC(=C)C1 1P002WEX [0,1,0,0,1,0|2,0,0]=4 1568 B9R1.152 OC(=O)C1(N)CC(=C)C1 1P028TM0 [0,1,0,0,1,0|2,0,0]=4 1569 B9R1.152 OC(=O)C1(O)CC(=C)C1 1P01JV9L [0,1,0,0,1,0|2,0,0]=4 1570 B9R1.164 OC(=O)C1CP(=O)(C1)O 1P01BTZN [0,1,0,0,1,0|2,0,0]=4 1571 B9R1.164 OC(=O)C1CS(=O)(=O)C1 1P000WBY [0,1,0,0,1,0|2,0,0]=4 1572 B9R1.52 C[C@@H]1CN([C@@H]1C(=O)O)C 1P024TQO [0,1,0,0,1,0|2,0,0]=4 1573 B9R1.68 O=C1CCC1S(=O)(=O)C 1P028ZQM [0,1,0,0,1,0|1,0,1]=4 1574 B9R1.81 COC(=O)C1CCN1C 1P01BUO3 [0,1,0,0,1,0|2,0,0]=4 1575 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N 1P0022SB [0,1,0,0,1,0|1,0,1]=4 1576 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N 1P00HBE2 [0,1,0,0,1,0|1,0,1]=4 1577 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N 1P028RTS [0,1,0,0,1,0|1,0,1]=4 1578 B9R1.96 C=C[C@@H]1CC[C@H]1C(=O)O 1P0289DM [0,1,0,0,1,0|1,0,1]=4 1579 B9R1.96 CCC1CCC1C(=O)O 1P01DXWD [0,1,0,0,1,0|1,0,1]=4 1580 B9R1.96 CCN1CCC1C(=O)O 1P01BV6E [0,1,0,0,1,0|2,0,0]=4 1581 B9R1.96 FC[C@@H]1CC[C@H]1C(=O)O 1P028HEX [0,1,0,0,1,0|1,0,1]=4 1582 B9R1.96 N#CC1CCC1C(=O)O 1P001NCQ [0,1,0,0,1,0|1,0,1]=4 1583 B9R1.96 N#C[C@@H]1CC[C@H]1C(=O)O 1P027U88 [0,1,0,0,1,0|1,0,1]=4 1584 B9R1.96 OCC1CCC1C(=O)O 1P022365 [0,1,0,0,1,0|0,0,2]=4 1585 B9R1.166 OC(=O)C1CCC1(C)C 1P01A2E9 [0,1,0,0,1,0|1,0,1]=4 1586 B9R1.166 OC(=O)C1CCC1(F)F 1P00HDEI [0,1,0,0,1,0|1,0,1]=4 1587 B9R1.166 OC(=O)C1CCS1(=O)=O 1P01DZF6 [0,1,0,0,1,0|1,0,0]=3 1588 B11R1.3 CCC1CCC(CN1)C(=O)O 1P027XQK [0,1,0,0,0,1|1,0,1]=4 1589 B11R1.3 CCC1CCC(NC1)C(=O)O 1P028FSJ [0,1,0,0,0,1|1,0,1]=4 1590 B11R1.3 O=CC1=CNC(CC1)C(=O)O 1P02877Q [0,1,0,0,0,1|0,0,0]=2 1591 B11R1.3 O=CN1CCC(CC1)C(=O)O 1P003ET5 [0,1,0,0,0,1|2,0,0]=4 1592 B11R1.3 O=C[C@@H]1CC[C@H](CC1)C(=O)O 1P023PY9 [0,1,0,0,0,1|1,0,1]=4 1593 B11R1.21 CC1CCC(NC1C)C(=O)O 1P01C4CS [0,1,0,0,0,1|1,0,1]=4 1594 B11R1.21 CC1CNC(CC1C)C(=O)O 1P0286QG [0,1,0,0,0,1|1,0,1]=4 1595 B11R1.21 CC1NCC(CC1C)C(=O)O 1P028UG3 [0,1,0,0,0,1|1,0,1]=4 1596 B11R1.21 C[C@@H]1CN[C@@H](C[C@@H]1C)C(=O)O 1P028I1V [0,1,0,0,0,1|1,0,1]=4 1597 B11R1.21 O=C1CCC(=NN1C)C(=O)N 1P00C46X [0,1,0,0,0,1|1,0,1]=4 1598 B11R1.21 O=C1CCC(=NN1C)C(=O)O 1P00C76T [0,1,0,0,0,1|0,0,1]=3 1599 B11R1.21 OC(=O)C1CCC(=C(C1)C)C 1P002MXO [0,1,0,0,0,1|2,0,0]=4 1600 B11R1.21 OC(=O)C1CCC(=O)C(C1)C 1P00H9YL [0,1,0,0,0,1|1,0,0]=3 1601 B11R1.21 OC(=O)C1CCC(=O)N(C1)C 1P00CCDV [0,1,0,0,0,1|0,0,0]=2 1602 B11R1.21 OC(=O)C1NCC(=O)N(C1)C 1P01FIWC [0,1,0,0,0,1|1,0,0]=3 1603 B11R1.21 OC(=O)[C@@H]1CCC(=O)N(C1)C 1P00PQ8N [0,1,0,0,0,1|0,0,0]=2 1604 B11R1.21 OC(=O)[C@H]1CCC(=O)N(C1)C 1P0209CF [0,1,0,0,0,1|0,0,0]=2 1605 B11R1.22 COC(=O)C1CCC(=C)CC1 1P027K0B [0,1,0,0,0,1|2,0,0]=4 1606 B11R1.22 COC(=O)C1CCC(=NC1)N 1P01C5AP [0,1,0,0,0,1|1,0,1]=4 1607 B11R1.22 COC(=O)C1CCC(=O)CC1 1P00E9SQ [0,1,0,0,0,1|1,0,0]=3 1608 B11R1.22 COC(=O)C1CCC(=O)NC1 1P006APR [0,1,0,0,0,1|0,0,0]=2 1609 B11R1.22 COC(=O)C1CCC(CN1)C 1P01FK2Y [0,1,0,0,0,1|1,0,1]=4 1610 B11R1.22 COC(=O)C1CCC(CN1)F 1P028RMP [0,1,0,0,0,1|1,0,1]=4 1611 B11R1.22 COC(=O)C1CCC(CN1)O 1P028DDO [0,1,0,0,0,1|0,0,2]=4 1612 B11R1.22 COC(=O)C1CCC(NC1)C 1P0003P8 [0,1,0,0,0,1|1,0,1]=4 1613 B11R1.22 COC(=O)C1CCC(NC1)C 1P00IGRL [0,1,0,0,0,1|1,0,1]=4 1614 B11R1.22 COC(=O)C1CNC(=O)CN1 1P018SOP [0,1,0,0,0,1|1,0,0]=3 1615 B11R1.22 COC(=O)N1CCC(=O)C=C1 1P01AN6L [0,1,0,0,0,1|2,0,0]=4 1616 B11R1.22 COC(=O)N1CCC(=O)CC1 1P007KEB [0,1,0,0,0,1|2,0,0]=4 1617 B11R1.22 COC(=O)[C@@H]1CCC(=O)NC1 1P01XABE [0,1,0,0,0,1|0,0,0]=2 1618 B11R1.22 COC(=O)[C@@H]1CC[C@@H](NC1)C 1P0003P5 [0,1,0,0,0,1|1,0,1]=4 1619 B11R1.22 COC(=O)[C@@H]1CC[C@@H](NC1)C 1P01CDBH [0,1,0,0,0,1|1,0,1]=4 1620 B11R1.22 COC(=O)[C@@H]1CC[C@H](CN1)F 1P028PAS [0,1,0,0,0,1|1,0,1]=4 1621 B11R1.22 COC(=O)[C@@H]1CC[C@H](NC1)C 1P0003PZ [0,1,0,0,0,1|1,0,1]=4 1622 B11R1.22 COC(=O)[C@@H]1CC[C@H](NC1)C 1P0003Q0 [0,1,0,0,0,1|1,0,1]=4 1623 B11R1.22 COC(=O)[C@@H]1CNC(=O)CN1 1P000IQY [0,1,0,0,0,1|1,0,0]=3 1624 B11R1.22 COC(=O)[C@H]1CCC(=O)NC1 1P01XAB8 [0,1,0,0,0,1|0,0,0]=2 1625 B11R1.22 COC(=O)[C@H]1CC[C@@H](NC1)C 1P01LQJI [0,1,0,0,0,1|1,0,1]=4 1626 B11R1.22 COC(=O)[C@H]1CC[C@H](NC1)C 1P0003P6 [0,1,0,0,0,1|1,0,1]=4 1627 B11R1.22 COC(=O)[C@H]1CC[C@H](NC1)C 1P009COK [0,1,0,0,0,1|1,0,1]=4 1628 B11R1.22 COC(=O)[C@H]1CC[C@H](NC1)C 1P00H9UH [0,1,0,0,0,1|1,0,1]=4 1629 B11R1.22 COC(=O)[C@H]1CC[C@H](NC1)C 1P00H9UI [0,1,0,0,0,1|1,0,1]=4 1630 B11R1.166 CC1CC(C)NCC1C(=O)O 1P01FITF [0,1,0,0,0,1|1,0,1]=4 1631 B11R1.166 CC1CCC(C(=O)N1)C(=O)O 1P028WVZ [0,1,0,0,0,1|1,0,1]=4 1632 B11R1.166 CC1CNC(C(C1)C)C(=O)O 1P01FIWB [0,1,0,0,0,1|1,0,1]=4 1633 B11R1.166 CC1NC(C)CCC1C(=O)O 1P01C2WL [0,1,0,0,0,1|1,0,1]=4 1634 B11R1.166 CC1NC(C)CCC1C(=O)O 1P01C4RZ [0,1,0,0,0,1|1,0,1]=4 1635 B11R1.166 C[C@@H]1N[C@H](C)CC[C@@H]1C(=O)O 1P028IO9 [0,1,0,0,0,1|1,0,1]=4 1636 B11R1.166 NC1CCC(N(C1)C)C(=O)O 1P0288LS [0,1,0,0,0,1|1,0,1]=4 1637 B11R1.166 O=C1CCC(C(C1)C)C(=O)O 1P01A3K8 [0,1,0,0,0,1|1,0,0]=3 1638 B11R1.166 O=C1NCC(C(C1)C)C(=O)O 1P02919T [0,1,0,0,0,1|0,0,0]=2 1639 B11R1.166 OC1CCC(N(C1)C)C(=O)O 1P027V2F [0,1,0,0,0,1|0,0,2]=4 1640 B11R1.220 CC1=CCC(CC1)(C)C(=O)O 1P001XIU [0,1,0,0,0,1|2,0,0]=4 1641 B11R1.220 O=C1CCC(CC1)(C)C(=O)O 1P00BGL5 [0,1,0,0,0,1|1,0,0]=3 1642 B11R1.220 O=C1CCC(CC1)(F)C(=O)O 1P0209IB [0,1,0,0,0,1|1,0,0]=3 1643 B11R1.220 O=C1CCC(CC1)(N)C(=O)O 1P002W9E [0,1,0,0,0,1|1,0,0]=3 1644 B11R1.220 O=C1CCC(CN1)(C)C(=O)O 1P01BI0N [0,1,0,0,0,1|0,0,0]=2 1645 B11R1.220 O=C1OCC(CO1)(C)C(=O)O 1P00DVZ2 [0,1,0,0,0,1|2,0,0]=4 1646 B11R1.727 OC(=O)C1CCC(CN1)(C)C 1P01FIWJ [0,1,0,0,0,1|1,0,1]=4 1647 B11R1.727 OC(=O)C1CCC(CN1)(F)F 1P000OCK [0,1,0,0,0,1|1,0,1]=4 1648 B11R1.727 OC(=O)C1CCC(NC1)(C)C 1P028X2U [0,1,0,0,0,1|1,0,1]=4 1649 B11R1.727 OC(=O)C1CCS(=N)(=O)CC1 1P01FJGG [0,1,0,0,0,1|2,0,0]=4 1650 B11R1.727 OC(=O)C1CCS(=O)(=O)CC1 1P00EAZF [0,1,0,0,0,1|2,0,0]=4 1651 B11R1.727 OC(=O)C1CCS(=O)(=O)CN1 1P028QJ6 [0,1,0,0,0,1|1,0,0]=3 1652 B11R1.39 COC(=O)CC1CCC(=O)C1 1P00C73N [0,1,0,0,0,1|1,0,0]=3 1653 B11R1.39 COC(=O)CC1CCC(N1)C 1P01AFPV [0,1,0,0,0,1|1,0,1]=4 1654 B11R1.39 COC(=O)CC1CNC(=O)C1 1P01FM06 [0,1,0,0,0,1|2,0,0]=4 1655 B11R1.39 COC(=O)C[C@@H]1CCC(=O)C1 1P00G3TQ [0,1,0,0,0,1|1,0,0]=3 1656 B11R1.39 COC(=O)C[C@H]1CCC(=O)C1 1P002T3H [0,1,0,0,0,1|1,0,0]=3 1657 B11R1.80 OC(=O)CC1CC(=O)N(C1)C 1P01FM1L [0,1,0,0,0,1|2,0,0]=4 1658 B11R1.313 OC(=O)CC1CCC(=O)N1C 1P00JBBS [0,1,0,0,0,1|0,0,0]=2 1659 B11R1.313 OC(=O)C[C@H]1CCC(=O)[C@@H]1C 1P028F9T [0,1,0,0,0,1|1,0,0]=3 1660 B11R1.313 OC(=O)\C=C\1/SCC(=O)N1C 1P002TG7 [0,1,0,0,0,1|1,0,1]=4 1661 B11R1.314 O=C1CCC(N1)C(C(=O)O)C 1P01C2HY [0,1,0,0,0,1|0,0,0]=2 1662 B11R1.645 OC(=O)CC1NC(=O)NC1=O 1P003RF3 [0,1,0,0,0,1|1,0,1]=4 1663 B11R1.710 OC(=O)CC1CCS(=O)(=O)C1 1P00DD4M [0,1,0,0,0,1|2,0,0]=4 1664 B11R1.23 COC(=O)C1=CC(=O)CCC1 1P00D9N3 [0,1,0,0,0,1|1,0,1]=4 1665 B11R1.23 COC(=O)C1CC(=C)CCN1 1P0293UT [0,1,0,0,0,1|2,0,0]=4 1666 B11R1.23 COC(=O)C1CC(=O)CCO1 1P00FSHI [0,1,0,0,0,1|1,0,0]=3 1667 B11R1.23 COC(=O)C1CC=CC(=O)C1 1P01B6M1 [0,1,0,0,0,1|1,0,1]=4 1668 B11R1.23 COC(=O)C1CCCC(=O)C1 1P000WQO [0,1,0,0,0,1|1,0,0]=3 1669 B11R1.23 COC(=O)C1CCCC(=O)N1 1P00931X [0,1,0,0,0,1|0,0,0]=2 1670 B11R1.23 COC(=O)C1CCN=C(C1)N 1P01C4R9 [0,1,0,0,0,1|2,0,0]=4 1671 B11R1.23 COC(=O)C1CCNC(=O)C1 1P00BJ4S [0,1,0,0,0,1|1,0,0]=3 1672 B11R1.23 COC(=O)C1CNCC(=O)N1 1P002NLK [0,1,0,0,0,1|0,0,0]=2 1673 B11R1.23 COC(=O)C1CNNC(=O)C1 1P00AL48 [0,1,0,0,0,1|2,0,0]=4 1674 B11R1.23 COC(=O)C1COCC(=O)C1 1P00ILXD [0,1,0,0,0,1|1,0,0]=3 1675 B11R1.23 COC(=O)N1CCCC(=O)C1 1P003F3P [0,1,0,0,0,1|2,0,0]=4 1676 B11R1.23 COC(=O)[C@@H]1CCCC(=O)C1 1P00M7UK [0,1,0,0,0,1|1,0,0]=3 1677 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 1P002NLJ [0,1,0,0,0,1|0,0,0]=2 1678 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 1P028DOM [0,1,0,0,0,1|0,0,0]=2 1679 B11R1.23 COC(=O)[C@@H]1COC[C@@H](N1)C 1P0282KQ [0,1,0,0,0,1|1,0,1]=4 1680 B11R1.23 COC(=O)[C@H]1CCCC(=O)N1 1P00ANZ1 [0,1,0,0,0,1|0,0,0]=2 1681 B11R1.23 COC(=O)[C@H]1CNCC(=O)N1 1P000T43 [0,1,0,0,0,1|0,0,0]=2 1682 B11R1.23 COC(=O)[C@H]1CNCC(=O)N1 1P028GR7 [0,1,0,0,0,1|0,0,0]=2 1683 B11R1.23 COC(=O)[C@H]1COC[C@H](N1)C 1P028AK1 [0,1,0,0,0,1|1,0,1]=4 1684 B11R1.23 NNC(=O)C1CCCC(=O)N1 1P004CMK [0,1,0,0,0,1|1,0,0]=3 1685 B11R1.74 CC1CS(=O)CC(N1)C(=O)O 1P028V05 [0,1,0,0,0,1|1,0,1]=4 1686 B11R1.74 C[C@@H]1C[C@H](NC(=S)N1)C(=O)O 1P00J3WN [0,1,0,0,0,1|0,1,0]=3 1687 B11R1.74 C[C@H]1CC(=O)N[C@H](C1)C(=O)O 1P01BSK0 [0,1,0,0,0,1|0,0,0]=2 1688 B11R1.74 C[C@H]1C[C@@H](C)N[C@H](C1)C(=O)O 1P01B9OY [0,1,0,0,0,1|1,0,1]=4 1689 B11R1.74 C[C@H]1NC(=O)C[C@H](C1)C(=O)O 1P028KHP [0,1,0,0,0,1|1,0,0]=3 1690 B11R1.74 C[C@H]1NC(=O)C[C@H](C1)C(=O)O 1P028UZH [0,1,0,0,0,1|1,0,0]=3 1691 B11R1.74 O=C1CC(=O)CC(C1)C(=O)O 1P00BY8K [0,1,0,0,0,1|1,0,0]=3 1692 B11R1.74 O=C1CC(=O)N[C@@H](C1)C(=O)O 1P028YV3 [0,1,0,0,0,1|0,0,0]=2 1693 B11R1.74 O=C1NC(=O)CC(C1)C(=O)O 1P005UT4 [0,1,0,0,0,1|1,0,1]=4 1694 B11R1.74 O=C1NC(=O)N[C@@H](C1)C(=O)O 1P00IB37 [0,1,0,0,0,1|0,0,1]=3 1695 B11R1.74 O=C1NC(=O)N[C@H](C1)C(=O)O 1P00ED85 [0,1,0,0,0,1|0,0,1]=3 1696 B11R1.74 O=C1NC(=S)C[C@H](N1)C(=O)O 1P000JAL [0,1,0,0,0,1|0,0,1]=3 1697 B11R1.159 OC(=O)C1=C(C)C(=O)CCC1 1P006RB3 [0,1,0,0,0,1|1,0,1]=4 1698 B11R1.159 OC(=O)C1CCCC(=O)N1C 1P01BYEY [0,1,0,0,0,1|0,0,0]=2 1699 B11R1.167 CC1CCC(C(N1)C(=O)O)C 1P028FXY [0,1,0,0,0,1|1,0,1]=4 1700 B11R1.167 O[C@H]1CNC(=N[C@@H]1C(=O)O)C 1P001WOG [0,1,0,0,0,1|1,0,1]=4 1701 B11R1.266 CCC1=N[C@@H](CCN1)C(=O)O 1P027ZOK [0,1,0,0,0,1|1,0,1]=4 1702 B11R1.266 CCC1CCCC(N1)C(=O)O 1P01DVED [0,1,0,0,0,1|1,0,1]=4 1703 B11R1.266 CCC1SCCC(N1)C(=O)O 1P01A7C0 [0,1,0,0,0,1|1,0,1]=4 1704 B11R1.266 CC[C@@H]1COC[C@@H](N1)C(=O)O 1P0287SK [0,1,0,0,0,1|1,0,1]=4 1705 B11R1.667 O=C1CCCC(N1)(C)C(=S)N 1P028AUD [0,1,0,0,0,1|1,1,0]=4 1706 B11R1.667 O=C1NCCC(C1)(C)C(=O)O 1P01BVZX [0,1,0,0,0,1|1,0,0]=3 1707 B11R1.730 OC(=O)C1CCCS(=O)(=O)C1 1P00ADJM [0,1,0,0,0,1|2,0,0]=4 1708 B11R1.730 OC(=O)C1CCCS(=O)(=O)N1 1P02497Z [0,1,0,0,0,1|1,0,0]=3 1709 B11R1.730 OC(=O)C1COCC(N1)(C)C 1P01AGAE [0,1,0,0,0,1|1,0,1]=4 1710 B11R1.730 OC(=O)C1NCCS(=O)(=O)C1 1P01ACJ8 [0,1,0,0,0,1|2,0,0]=4 1711 B11R1.730 OC(=O)C1OCCS(=O)(=O)C1 1P0281G3 [0,1,0,0,0,1|2,0,0]=4 1712 B11R1.15 CCOC(=O)C1CC(=O)CO1 1P022468 [0,2,0,0,0,0|2,0,0]=4 1713 B11R1.15 CCOC(=O)C1CCC(=O)C1 1P003QP5 [0,2,0,0,0,0|1,0,0]=3 1714 B11R1.15 CCOC(=O)C1CCC(=O)N1 1P00FCPE [0,2,0,0,0,0|0,0,0]=2 1715 B11R1.15 CCOC(=O)C1CCC(=O)O1 1P009M28 [0,2,0,0,0,0|1,0,0]=3 1716 B11R1.15 CCOC(=O)C1CNC(=O)C1 1P0035CF [0,2,0,0,0,0|2,0,0]=4 1717 B11R1.15 CCOC(=O)C1COC(=O)C1 1P01A0EN [0,2,0,0,0,0|2,0,0]=4 1718 B11R1.15 CCOC(=O)C1CSC(=O)N1 1P028Y7C [0,2,0,0,0,0|1,0,0]=3 1719 B11R1.15 CCOC(=O)N1CCC(=O)C1 1P001LQP [0,2,0,0,0,0|2,0,0]=4 1720 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 1P0035AG [0,2,0,0,0,0|0,0,0]=2 1721 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 1P00ICBX [0,2,0,0,0,0|0,0,0]=2 1722 B11R1.44 COC(=O)C1CCC(N1)C#C 1P0280X1 [0,2,0,0,0,0|1,0,1]=4 1723 B11R1.44 COC(=O)[C@@H]1CCC(=N1)SC 1P00IH88 [0,2,0,0,0,0|0,1,1]=4 1724 B11R1.44 O=NN1CCC(C1)C(=O)OC 1P0284ZI [0,2,0,0,0,0|2,0,0]=4 1725 B11R1.226 COC(=O)C1CC(=O)N(C1)C 1P003S1B [0,2,0,0,0,0|2,0,0]=4 1726 B11R1.226 COC(=O)[C@@H]1C[C@@H](C(=O)N1)O 1P00DWB1 [0,2,0,0,0,0|0,0,0]=2 1727 B11R1.226 COC(=O)[C@@H]1C[C@H](C(=O)N1)O 1P00BB29 [0,2,0,0,0,0|0,0,0]=2 1728 B11R1.865 CN1[C@@H](CCC1=O)C(=O)OC 1P002F9T [0,2,0,0,0,0|0,0,0]=2 1729 B11R1.865 CN1[C@H](CCC1=O)C(=O)OC 1P000JQ6 [0,2,0,0,0,0|0,0,0]=2 1730 B11R1.866 COC(=O)C1CCC(N1)(C)C 1P0290DB [0,2,0,0,0,0|1,0,1]=4 1731 B11R1.866 COC(=O)C1CCS(=O)(=O)N1 1P01C49T [0,2,0,0,0,0|1,0,0]=3 1732 B11R1.866 COC(=O)[C@@H]1COS(=O)(=O)N1 1P01EJ4J [0,2,0,0,0,0|2,0,0]=4 1733 B11R1.885 CC1(COC(=O)N1)C(=O)OC 1P028AIZ [0,2,0,0,0,0|1,0,0]=3 1734 B11R1.885 COC(=O)C1(C)CCC(=O)C1 1P00ILNE [0,2,0,0,0,0|1,0,0]=3 1735 B11R1.885 COC(=O)C1(F)CCC(=C)C1 1P027Y9E [0,2,0,0,0,0|2,0,0]=4 1736 B11R1.48 CCN1CC(CC1=O)C(=O)O 1P00D8L9 [0,2,0,0,0,0|2,0,0]=4 1737 B11R1.48 CCN1CC(NC1=O)C(=O)O 1P0281ZJ [0,2,0,0,0,0|1,0,0]=3 1738 B11R1.48 CON1CC(CC1=O)C(=O)O 1P0284QJ [0,2,0,0,0,0|2,0,0]=4 1739 B11R1.124 COC[C@@H]1CC[C@@H](N1)C(=O)O 1P01BVWQ [0,2,0,0,0,0|0,0,2]=4 1740 B11R1.175 CC([C@@H]1CC[C@H](N1)C(=O)O)C 1P0292XN [0,2,0,0,0,0|1,0,1]=4 1741 B11R1.175 NC(=O)[C@@H]1CC[C@@H](C1)C(=O)O 1P002F04 [0,2,0,0,0,0|1,0,1]=4 1742 B11R1.175 NC(=O)[C@@H]1CC[C@@H](O1)C(=O)O 1P01BVVE [0,2,0,0,0,0|1,0,1]=4 1743 B11R1.175 OC(=O)C1CCC(C1)C(=O)O 1P0076YD [0,2,0,0,0,0|1,0,1]=4 1744 B11R1.175 OC(=O)C1CCC(O1)C(=O)O 1P00ED7O [0,2,0,0,0,0|1,0,1]=4 1745 B11R1.175 OC(=O)C1CCN(C1)C(=O)C 1P00FYEU [0,2,0,0,0,0|2,0,0]=4 1746 B11R1.175 OC(=O)C1SCC(N1)C(=O)O 1P003V8L [0,2,0,0,0,0|1,0,1]=4 1747 B11R1.175 OC(=O)[C@@H]1CC[C@@H](C1)C(=O)O 1P0038UJ [0,2,0,0,0,0|1,0,1]=4 1748 B11R1.175 OC(=O)[C@@H]1CC[C@@H](O1)C(=O)O 1P00BFX6 [0,2,0,0,0,0|1,0,1]=4 1749 B11R1.175 OC(=O)[C@H]1CC[C@@H](C1)C(=O)O 1P01E8ON [0,2,0,0,0,0|1,0,1]=4 1750 B11R1.487 O=C1CC(CN1C)(C)C(=O)O 1P028P3K [0,2,0,0,0,0|2,0,0]=4 1751 B11R1.672 OC(=O)[C@@H]1C[C@H](C(=O)N1C)F 1P028VVI [0,2,0,0,0,0|0,0,0]=2 1752 B11R1.489 O=C1CC(C(N1)(C)C)C(=O)O 1P018IBV [0,2,0,0,0,0|2,0,0]=4 1753 B11R1.489 O=C1CC(C(O1)(C)C)C(=O)O 1P003UZ2 [0,2,0,0,0,0|2,0,0]=4 1754 B11R1.489 O=C1NC(C(C1)(C)C)C(=O)O 1P00AA4Y [0,2,0,0,0,0|0,0,0]=2 1755 B11R1.489 O=C1N[C@@H](C(O1)(C)C)C(=O)O 1P029053 [0,2,0,0,0,0|1,0,0]=3 1756 B11R1.489 O=C1N[C@H](C(O1)(C)C)C(=O)O 1P02830S [0,2,0,0,0,0|1,0,0]=3 1757 B11R1.64 CCN1C(=O)CCC1C(=O)O 1P01C8F1 [0,2,0,0,0,0|0,0,0]=2 1758 B11R1.515 OC(=O)C1CCS(=O)(=O)N1C 1P02914D [0,2,0,0,0,0|1,0,0]=3 1759 B11R1.1270 O=C1CCC(N1C)(C)C(=S)N 1P02884S [0,2,0,0,0,0|1,1,0]=4 1760 B11R1.1270 O=C1OCC(N1C)(C)C(=O)O 1P028R4N [0,2,0,0,0,0|1,0,0]=3 1761 B11R1.738 OC(=O)C1(F)CCS(=O)(=O)C1 1P01BV6Y [0,2,0,0,0,0|2,0,0]=4 1762 B11R1.738 OC(=O)C1(N)CCS(=O)(=O)C1 1P00COSG [0,2,0,0,0,0|2,0,0]=4 1763 B11R1.738 OC(=O)C1(N)CCS(=O)(=O)C1 1P01BA40 [0,2,0,0,0,0|2,0,0]=4 1764 B11R1.738 OC(=O)[C@]1([2H])CCC(N1)([2H])[2H] 1P00FHMQ [0,2,0,0,0,0|1,0,1]=4 1765 B11R1.416 CCC1(CNC(=O)C1)C(=O)O 1P0291ZX [0,2,0,0,0,0|2,0,0]=4 1766 B9R1.6 OC(=O)C1CC=CCN1 1P01SOEB [0,0,1,1,0,0|1,0,1]=4 1767 B9R1.6 OC(=O)C1CCC=CC1 1P00345H [0,0,1,1,0,0|2,0,0]=4 1768 B9R1.6 OC(=O)C1CCCCN1 1P001QUT [0,0,1,1,0,0|1,0,1]=4 1769 B9R1.6 OC(=O)C1CCCCN1 1P0032UQ [0,0,1,1,0,0|1,0,1]=4 1770 B9R1.6 OC(=O)C1CCCNN1 1P0202D4 [0,0,1,1,0,0|1,0,1]=4 1771 B9R1.6 OC(=O)C1CCOCN1 1P0281IO [0,0,1,1,0,0|2,0,0]=4 1772 B9R1.6 OC(=O)C1CCSCN1 1P00EEUN [0,0,1,1,0,0|2,0,0]=4 1773 B9R1.6 OC(=O)C1CCSCN1 1P00J29I [0,0,1,1,0,0|2,0,0]=4 1774 B9R1.6 OC(=O)[C@@H]1CCC=CC1 1P003822 [0,0,1,1,0,0|2,0,0]=4 1775 B9R1.6 OC(=O)[C@@H]1CCCCN1 1P0032HJ [0,0,1,1,0,0|1,0,1]=4 1776 B9R1.6 OC(=O)[C@@H]1CCCCN1 1P0073ED [0,0,1,1,0,0|1,0,1]=4 1777 B9R1.6 OC(=O)[C@@H]1CCCNN1 1P01DN52 [0,0,1,1,0,0|1,0,1]=4 1778 B9R1.6 OC(=O)[C@H]1CCC=CC1 1P00393M [0,0,1,1,0,0|2,0,0]=4 1779 B9R1.6 OC(=O)[C@H]1CCCCN1 1P00C087 [0,0,1,1,0,0|1,0,1]=4 1780 B9R1.45 CC1CC1C(C(=O)O)N 1P028YY8 [0,0,1,1,0,0|1,0,1]=4 1781 B9R1.69 BrC1CCC(=O)NC1=O 1P00ELFS [0,0,1,1,0,0|2,0,0]=4 1782 B9R1.69 CC1CCC(=O)NC1=O 1P002Z75 [0,0,1,1,0,0|2,0,0]=4 1783 B9R1.69 CC1SCC(=O)OC1=O 1P00IQJ0 [0,0,1,1,0,0|2,0,0]=4 1784 B9R1.69 NC1CCC(=O)NC1=O 1P002O2G [0,0,1,1,0,0|1,0,0]=3 1785 B9R1.69 NC1CCC(=O)NC1=O 1P002PGM [0,0,1,1,0,0|1,0,0]=3 1786 B9R1.69 NC1CCC(=O)NC1=O 1P01ENGU [0,0,1,1,0,0|1,0,0]=3 1787 B9R1.69 N[C@@H]1CCC(=O)NC1=O 1P00AO1K [0,0,1,1,0,0|1,0,0]=3 1788 B9R1.69 N[C@H]1CCC(=O)NC1=O 1P00BI8U [0,0,1,1,0,0|1,0,0]=3 1789 B9R1.93 CC[C@@H]1C[C@]1(N)C(=O)O 1P028WI1 [0,0,1,1,0,0|1,0,1]=4 1790 B9R1.110 NC(C(=O)O)C1CCC1 1P009D24 [0,0,1,1,0,0|1,0,1]=4 1791 B9R1.110 NC(C(=O)O)C1CCC1 1P00BFOT [0,0,1,1,0,0|1,0,1]=4 1792 B9R1.110 NC(C(=O)O)C1COC1 1P000WZV [0,0,1,1,0,0|2,0,0]=4 1793 B9R1.110 N[C@@H](C(=O)O)C1CCC1 1P00396C [0,0,1,1,0,0|1,0,1]=4 1794 B9R1.110 N[C@@H](C(=O)O)C1COC1 1P00I885 [0,0,1,1,0,0|2,0,0]=4 1795 B9R1.110 N[C@H](C(=O)O)C1CCC1 1P00I9BR [0,0,1,1,0,0|1,0,1]=4 1796 B9R1.112 NC(C(=O)O)CC1CC1 1P001Q81 [0,0,1,1,0,0|1,0,1]=4 1797 B9R1.112 NC(C(=O)O)CC1CC1 1P0022DY [0,0,1,1,0,0|1,0,1]=4 1798 B9R1.112 N[C@@H](C(=O)O)CC1CC1 1P0016I4 [0,0,1,1,0,0|1,0,1]=4 1799 B9R1.112 N[C@H](C(=O)O)CC1CC1 1P0008PS [0,0,1,1,0,0|1,0,1]=4 1800 B9R1.10 O=C1CCC(CN1)(C)O 1P00DLGK [0,0,1,1,0,0|1,0,1]=4 1801 B9R1.49 O=C1CCNC(=O)CC1 1P00CLG3 [0,0,1,1,0,0|2,0,0]=4 1802 B9R1.49 OC1CCCC(=O)NC1 1P000ZGL [0,0,1,1,0,0|1,0,1]=4 1803 B9R1.67 CC1CCN1CC(=O)O 1P01ALIX [0,0,1,1,0,0|1,0,1]=4 1804 B9R1.67 OC(=O)CC1CCC1=O 1P0281PY [0,0,1,1,0,0|1,0,0]=3 1805 B9R1.67 [O-]C(=O)CN1CCC1=O 1P028DP2 [0,0,1,1,0,0|0,0,1]=3 1806 B9R1.84 OC(=O)CNC1CCC1 1P0284CG [0,0,1,1,0,0|1,0,1]=4 1807 B9R1.33 C=CCC1CCOC1=O 1P007GIM [0,0,1,1,0,0|2,0,0]=4 1808 B9R1.33 O=C=N[C@H]1CCOC1=O 1P0289LG [0,0,1,1,0,0|0,0,2]=4 1809 B9R1.33 O=CCC1CCOC1=O 1P028G5I [0,0,1,1,0,0|1,0,0]=3 1810 B9R1.33 O=CN[C@H]1CCNC1=O 1P02867B [0,0,1,1,0,0|1,0,0]=3 1811 B9R1.179 C=CCC1(CC1)C(=O)O 1P005MRF [0,0,1,1,0,0|2,0,0]=4 1812 B9R1.161 NC(=O)C1CC1C(=O)O 1P00ICNA [0,0,1,1,0,0|2,0,0]=4 1813 B9R1.161 NC(=O)[C@H]1C[C@H]1C(=O)O 1P01EEOM [0,0,1,1,0,0|2,0,0]=4 1814 B9R1.161 OC(=O)C1CC1C(=O)O 1P001LR3 [0,0,1,1,0,0|2,0,0]=4 1815 B9R1.161 OC(=O)[C@@H]1C[C@@H]1C(=O)O 1P00FGRG [0,0,1,1,0,0|2,0,0]=4 1816 B9R1.161 OC(=O)[C@@H]1C[C@H]1C(=O)O 1P00FHN8 [0,0,1,1,0,0|2,0,0]=4 1817 B9R1.161 OC(=O)[C@H]1C[C@@H]1C(=O)O 1P001DYO [0,0,1,1,0,0|2,0,0]=4 1818 B9R1.53 CC(=O)CC1CC(=O)N1 1P00FKYT [0,0,1,1,0,0|1,0,0]=3 1819 B9R1.53 NC1CC(C1)CC(=O)O 1P001DAW [0,0,1,1,0,0|1,0,1]=4 1820 B9R1.53 NC1CC(C1)CC(=O)O 1P01E84R [0,0,1,1,0,0|1,0,1]=4 1821 B9R1.53 N[C@@H]1C[C@@H](C1)CC(=O)O 1P00HYGR [0,0,1,1,0,0|1,0,1]=4 1822 B9R1.53 N[C@@H]1C[C@H](C1)CC(=O)O 1P01JP7C [0,0,1,1,0,0|1,0,1]=4 1823 B9R1.53 O=C1CC(N1)OC(=O)C 1P002W6B [0,0,1,1,0,0|2,0,0]=4 1824 B9R1.53 OC(=O)CC1CC(=C)C1 1P028OBH [0,0,1,1,0,0|2,0,0]=4 1825 B9R1.53 OC(=O)CC1CC(=O)C1 1P00HZ3I [0,0,1,1,0,0|1,0,0]=3 1826 B9R1.66 O=C1CCCS(=O)(=O)N1 1P00GTTS [0,0,1,1,0,0|1,0,1]=4 1827 B9R2.20 O=C1CCC2C1C=C2 1P01G2UZ [1,0,0,1,0,0|2,0,0]=4 1828 B9R2.33 O=C1NC2C(C1)CC2 1P00BMW1 [1,0,0,1,0,0|1,0,1]=4 1829 B9R2.33 O=C1N[C@@H]2[C@H](C1)C=C2 1P028U4S [1,0,0,1,0,0|1,0,0]=3 1830 B9R2.39 C1C2C=CC1NC2=O 1P0033L9 [1,0,0,1,0,0|1,0,0]=3 1831 B9R2.39 C1[C@@H]2C=C[C@H]1NC2=O 1P000VKL [1,0,0,1,0,0|1,0,0]=3 1832 B9R2.39 C1[C@H]2C=C[C@@H]1NC2=O 1P0036DF [1,0,0,1,0,0|1,0,0]=3 1833 B9R2.39 O=C1CC2CC1C=C2 1P006CL6 [1,0,0,1,0,0|2,0,0]=4 1834 B9R2.39 O=C1CC2CC1OC2 1P028MXT [1,0,0,1,0,0|1,0,1]=4 1835 B9R2.39 O=C1C[C@@H]2C[C@H]1C=C2 1P01C3HO [1,0,0,1,0,0|2,0,0]=4 1836 B9R2.39 O=C1NC2CC1CC2 1P002PDQ [1,0,0,1,0,0|1,0,1]=4 1837 B9R2.39 O=C1NC2CC1NC2 1P027OYG [1,0,0,1,0,0|1,0,1]=4 1838 B9R2.39 O=C1N[C@@H]2C[C@H]1CC2 1P009B9C [1,0,0,1,0,0|1,0,1]=4 1839 B9R2.39 O=C1N[C@@H]2C[C@H]1NC2 1P027OK7 [1,0,0,1,0,0|1,0,1]=4 1840 B9R2.39 O=C1N[C@H]2C[C@@H]1CC2 1P01B9BU [1,0,0,1,0,0|1,0,1]=4 1841 B9R2.39 O=C1N[C@H]2C[C@@H]1NC2 1P00J3DV [1,0,0,1,0,0|1,0,1]=4 1842 B9R2.139 O=C1CCC2(N1)CC2 1P0031VV [1,0,0,1,0,0|1,0,1]=4 1843 B9R2.7 C1C2CC=CC2C1=O 1P00DLJ2 [1,0,0,1,0,0|2,0,0]=4 1844 B9R2.144 OC(=O)C12CCC1C2 1P01BU4E [1,0,0,1,0,0|1,0,1]=4 1845 B9R2.150 OC(=O)C1CC2C1C2 1P01XBSJ [1,0,0,1,0,0|1,0,1]=4 1846 B11R2.700 O=C1CC2C(C1)C2C(=O)O 1P028F7Z [0,0,0,1,0,1|1,0,0]=3 1847 B11R2.700 O=C1OC2C(O1)C2C(=O)O 1P028D05 [0,0,0,1,0,1|2,0,0]=4 1848 B11R2.700 O=C1O[C@@H]2[C@H](O1)[C@H]2C(=O)O 1P028H28 [0,0,0,1,0,1|2,0,0]=4 1849 B11R2.821 OC(=O)C1CNC2CC1C2 1P028WP1 [0,0,0,1,0,1|1,0,1]=4 1850 B11R2.1839 OC(=O)C12CCC(C1)CN2 1P01B4IB [0,0,0,1,0,1|1,0,1]=4 1851 B11R2.1839 OC(=O)C12CCC(C1)NC2 1P01B4M2 [0,0,0,1,0,1|1,0,1]=4 1852 B11R2.1839 OC(=O)C12CC[C@@H](C1)NC2 1P019RHN [0,0,0,1,0,1|1,0,1]=4 1853 B11R2.1839 OC(=O)[C@@]12CC[C@@H](C1)NC2 1P028OYO [0,0,0,1,0,1|1,0,1]=4 1854 B11R2.66 O=C1CN2C(=C1)CCC2=O 1P0009Y1 [0,0,0,1,0,1|1,0,1]=4 1855 B11R2.66 O=C1CN2C(N1)CCC2=O 1P009IAM [0,0,0,1,0,1|1,0,0]=3 1856 B11R2.66 O=C1OC2C(O1)CNC2=O 1P01FIP6 [0,0,0,1,0,1|2,0,0]=4 1857 B11R2.139 O=C1CC2C(C1)CC(=O)C2 1P00FCQ2 [0,0,0,1,0,1|2,0,0]=4 1858 B11R2.139 O=C1C[C@@H]2[C@H](C1)CC(=O)C2 1P00DCCE [0,0,0,1,0,1|2,0,0]=4 1859 B11R2.139 O=C1NC2C(N1)NC(=O)N2 1P003ABB [0,0,0,1,0,1|2,0,0]=4 1860 B11R2.530 OC(=O)C1C2C1CCC2=O 1P019UFO [0,0,0,1,0,1|1,0,0]=3 1861 B11R2.530 OC(=O)[C@H]1[C@H]2[C@@H]1CNC2=O 1P028UO0 [0,0,0,1,0,1|2,0,0]=4 1862 B11R2.747 O=C1CC2(C1)COC(=O)N2 1P028U3S [0,0,0,1,0,1|2,0,0]=4 1863 B11R2.845 OC(=O)C1CC2NC1CC2 1P01EBMS [0,0,0,1,0,1|1,0,1]=4 1864 B11R2.845 OC(=O)[C@@H]1C[C@@H]2N[C@H]1CC2 1P019G5P [0,0,0,1,0,1|1,0,1]=4 1865 B11R2.845 OC(=O)[C@H]1C[C@@H]2N[C@H]1CC2 1P00J2RE [0,0,0,1,0,1|1,0,1]=4 1866 B11R2.47 O=C1CC2CCC1CC2=O 1P0034ZF [0,0,0,1,0,1|2,0,0]=4 1867 B11R2.612 OC(=O)[C@@H]1NC(=O)[C@H]2[C@@H]1C2 1P0286T2 [0,0,0,1,0,1|0,0,0]=2 1868 B11R2.1826 OC(=O)C12CCCC(C1)N2 1P0281GQ [0,0,0,1,0,1|1,0,1]=4 1869 B11R2.60 O=C1CCC2C1CCC2=O 1P005HXF [0,1,0,1,0,0|2,0,0]=4 1870 B11R2.60 O=C1CO[C@H]2[C@@H]1OCC2=O 1P019FCW [0,1,0,1,0,0|2,0,0]=4 1871 B11R2.738 O=C1NC2CC1C(C2O)O 1P019FDA [0,1,0,1,0,0|0,0,2]=4 1872 B11R2.738 O=C1N[C@@H]2C[C@H]1[C@H]([C@H]2O)O 1P01WTQ5 [0,1,0,1,0,0|0,0,2]=4 1873 B11R2.201 O=C1NC(=O)C2NC1CC2 1P020LLQ [0,1,0,1,0,0|1,0,1]=4 1874 B11R2.201 O=C1OC(=O)C2CC1CC2 1P00EF2M [0,1,0,1,0,0|1,0,1]=4 1875 B11R2.201 O=C1OC(=O)C2OC1CC2 1P01AGF3 [0,1,0,1,0,0|1,0,1]=4 1876 B11R2.201 O=C1OC(=O)C2SC1CC2 1P01BJWN [0,1,0,1,0,0|1,0,1]=4 1877 B11R2.1868 OC(=O)C1CCC2(N1)CC2 1P028D33 [0,1,0,1,0,0|1,0,1]=4 1878 B11R2.1051 CC1NC2(CC1C2)C(=O)O 1P028U8I [0,1,0,1,0,0|1,0,1]=4 1879 B7R0.16 CC(=C(C(=O)O)C)C 1P019YZ2 [0,0,1,0,1,0|1,0,1]=4 1880 B7R0.16 CC(C(=O)C)C(=O)C 1P003K5P [0,0,1,0,1,0|1,0,0]=3 1881 B7R0.16 CC(C(=O)N)C(=O)N 1P003I6E [0,0,1,0,1,0|2,0,0]=4 1882 B7R0.16 CC(C(=O)O)C(=O)O 1P003SKU [0,0,1,0,1,0|1,0,0]=3 1883 B7R0.16 CC(C(=O)O)C(C)C 1P007ZPC [0,0,1,0,1,0|1,0,1]=4 1884 B7R0.16 CC(C(=O)O)C(N)C 1P01AV78 [0,0,1,0,1,0|1,0,1]=4 1885 B7R0.16 CC(C(=O)O)N(C)C 1P00ADBV [0,0,1,0,1,0|2,0,0]=4 1886 B7R0.16 CC(C(=O)[O-])C(=O)[O-] 1P00E37J [0,0,1,0,1,0|1,0,1]=4 1887 B7R0.16 CC(C(=O)[O-])C(=O)[O-] 1P01XCPB [0,0,1,0,1,0|1,0,1]=4 1888 B7R0.16 CC(C(C(=O)O)C)O 1P00DDYP [0,0,1,0,1,0|0,0,2]=4 1889 B7R0.16 CN(C(=O)C)C(=O)C 1P003TO0 [0,0,1,0,1,0|2,0,0]=4 1890 B7R0.16 CN(C(=O)Cl)C(=O)C 1P01ENAP [0,0,1,0,1,0|2,0,0]=4 1891 B7R0.16 CP(=O)C(C(=O)O)O 1P006ECW [0,0,1,0,1,0|2,0,0]=4 1892 B7R0.16 C[C@@H](C(=O)O)C(C)C 1P002VES [0,0,1,0,1,0|1,0,1]=4 1893 B7R0.16 C[C@@H](C(=O)O)N(C)C 1P001XKS [0,0,1,0,1,0|2,0,0]=4 1894 B7R0.16 C[C@@H](C(=O)O)N(C)C 1P00BHJU [0,0,1,0,1,0|2,0,0]=4 1895 B7R0.16 C[C@H](C(=O)O)C(C)C 1P001N9S [0,0,1,0,1,0|1,0,1]=4 1896 B7R0.16 C[C@H](C(=O)O)N(C)C 1P001PX5 [0,0,1,0,1,0|2,0,0]=4 1897 B7R0.16 C[C@H](C(=O)O)N(C)C 1P00J3DF [0,0,1,0,1,0|2,0,0]=4 1898 B7R0.16 ClC(C(=O)C)C(=O)C 1P003442 [0,0,1,0,1,0|2,0,0]=4 1899 B7R0.16 FC(C(=O)O)C(=O)O 1P00717X [0,0,1,0,1,0|2,0,0]=4 1900 B7R0.16 NC(C(=O)C)C(=O)C 1P01A8FL [0,0,1,0,1,0|2,0,0]=4 1901 B7R0.16 NC(C(=O)O)C(=O)O 1P0083BN [0,0,1,0,1,0|2,0,0]=4 1902 B7R0.16 OC(C(=O)O)C(=O)O 1P003HWB [0,0,1,0,1,0|2,0,0]=4 1903 B7R1.8 CCC1CCC1=O 1P008TOV [1,0,0,0,1,0|1,0,1]=4 1904 B7R1.8 COC1CCC1=O 1P01JVE1 [1,0,0,0,1,0|2,0,0]=4 1905 B7R1.8 CSC1CCC1=O 1P01C4DE [1,0,0,0,1,0|2,0,0]=4 1906 B7R1.8 OCC1CCC1=O 1P00I4ZH [1,0,0,0,1,0|0,0,1]=3 1907 B7R1.10 C=CC1CC(=O)C1 1P00H7U7 [1,0,0,0,1,0|2,0,0]=4 1908 B7R1.10 C=CC1CC(=O)N1 1P005H50 [1,0,0,0,1,0|1,0,0]=3 1909 B7R1.10 ICC1CC(=O)N1 1P008PV6 [1,0,0,0,1,0|1,0,1]=4 1910 B7R1.10 O=CC1CC(=C)C1 1P00925S [1,0,0,0,1,0|2,0,0]=4 1911 B7R1.10 OCC1CC(=O)C1 1P00288D [1,0,0,0,1,0|1,0,1]=4 1912 B7R1.10 OCC1CC(=O)N1 1P00FCZO [1,0,0,0,1,0|0,0,1]=3 1913 B7R1.10 OC[C@@H]1CC(=O)N1 1P01DEBM [1,0,0,0,1,0|0,0,1]=3 1914 B7R1.10 OC[C@H]1CC(=O)N1 1P01DE90 [1,0,0,0,1,0|0,0,1]=3 1915 B7R1.18 CC(=O)C1CCC1 1P003PKG [1,0,0,0,1,0|1,0,1]=4 1916 B7R1.18 CC(C1CCN1)O 1P027YMT [1,0,0,0,1,0|1,0,1]=4 1917 B7R1.18 ClC(=O)C1CCC1 1P00353Y [1,0,0,0,1,0|1,0,1]=4 1918 B7R1.18 NC(=O)C1CCC1 1P001MYW [1,0,0,0,1,0|1,0,1]=4 1919 B7R1.18 NC(=O)C1CCN1 1P000VNK [1,0,0,0,1,0|1,0,0]=3 1920 B7R1.18 NC(=O)[C@@H]1CCN1 1P01G17Q [1,0,0,0,1,0|1,0,0]=3 1921 B7R1.18 OC(=O)C1=CCC1 1P00BJ3Y [1,0,0,0,1,0|0,0,1]=3 1922 B7R1.18 OC(=O)C1CCC1 1P00353Z [1,0,0,0,1,0|0,0,1]=3 1923 B7R1.18 OC(=O)C1CCN1 1P002R80 [1,0,0,0,1,0|0,0,0]=2 1924 B7R1.18 OC(=O)C1CCO1 1P0036EM [1,0,0,0,1,0|1,0,0]=3 1925 B7R1.18 OC(=O)C1CNC1 1P0008FD [1,0,0,0,1,0|1,0,1]=4 1926 B7R1.18 OC(=O)C1CNC1 1P003429 [1,0,0,0,1,0|1,0,1]=4 1927 B7R1.18 OC(=O)C1COC1 1P000AR0 [1,0,0,0,1,0|1,0,1]=4 1928 B7R1.18 OC(=O)C1CSC1 1P005KXP [1,0,0,0,1,0|1,0,1]=4 1929 B7R1.18 OC(=O)[C@@H]1CCN1 1P003827 [1,0,0,0,1,0|0,0,0]=2 1930 B7R1.18 OC(=O)[C@@H]1CCO1 1P01JUQJ [1,0,0,0,1,0|1,0,0]=3 1931 B7R1.18 OC(=O)[C@H]1CCN1 1P005DGN [1,0,0,0,1,0|0,0,0]=2 1932 B7R1.18 OC(=O)[C@H]1CCN1 1P00EIWE [1,0,0,0,1,0|0,0,0]=2 1933 B7R1.18 OC(=O)[C@H]1CCO1 1P01JUNT [1,0,0,0,1,0|1,0,0]=3 1934 B7R1.12 CC1=CC1C(=O)O 1P01A35R [0,0,0,0,2,0|1,0,1]=4 1935 B7R1.12 CC1CC1C(=O)O 1P002Z71 [0,0,0,0,2,0|1,0,1]=4 1936 B7R1.12 CC1CC1C(=O)O 1P00EK9C [0,0,0,0,2,0|1,0,1]=4 1937 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O 1P00BJDC [0,0,0,0,2,0|1,0,1]=4 1938 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 1P00ELZP [0,0,0,0,2,0|1,0,1]=4 1939 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 1P00ARLC [0,0,0,0,2,0|1,0,1]=4 1940 B7R1.12 C[C@H]1C[C@H]1C(=O)O 1P002ZI0 [0,0,0,0,2,0|1,0,1]=4 1941 B7R1.12 F[C@H]1C[C@@H]1C(=O)O 1P009DKG [0,0,0,0,2,0|1,0,1]=4 1942 B7R1.12 F[C@H]1C[C@H]1C(=O)O 1P00HB72 [0,0,0,0,2,0|1,0,1]=4 1943 B7R1.12 OC(=O)C1CC1=C 1P01AELS [0,0,0,0,2,0|1,0,0]=3 1944 B7R1.12 OC(=O)C1CC1F 1P001PI5 [0,0,0,0,2,0|1,0,1]=4 1945 B7R1.12 OC(=O)[C@@H]1C[C@@H]1F 1P000X7B [0,0,0,0,2,0|1,0,1]=4 1946 B7R1.12 OC(=O)[C@@H]1C[C@@H]1I 1P01JUSO [0,0,0,0,2,0|1,0,1]=4 1947 B7R1.12 OC(=O)[C@@H]1C[C@H]1Cl 1P028JBO [0,0,0,0,2,0|1,0,1]=4 1948 B7R1.12 OC(=O)[C@@H]1C[C@H]1F 1P001XKM [0,0,0,0,2,0|1,0,1]=4 1949 B7R1.12 OC(=O)[C@H]1C[C@@H]1Br 1P028QME [0,0,0,0,2,0|1,0,1]=4 1950 B7R1.12 OC(=O)[C@H]1C[C@@H]1F 1P001XKL [0,0,0,0,2,0|1,0,1]=4 1951 B7R1.12 OC(=O)[C@H]1C[C@H]1F 1P000X7C [0,0,0,0,2,0|1,0,1]=4 1952 B7R1.12 OC(=O)[C@H]1C[C@H]1I 1P00182G [0,0,0,0,2,0|1,0,1]=4 1953 B9R0.4 CCCCC(CC(=O)O)N 1P003JEA [0,0,1,0,0,1|1,0,1]=4 1954 B9R0.4 CCCC[C@@H](CC(=O)O)N 1P028ZHI [0,0,1,0,0,1|1,0,1]=4 1955 B9R0.4 CCCC[C@H](CC(=O)O)N 1P01C415 [0,0,1,0,0,1|1,0,1]=4 1956 B9R0.4 CSCC[C@@H](CC(=O)O)N 1P0059MX [0,0,1,0,0,1|2,0,0]=4 1957 B9R0.4 CSCC[C@@H](CC(=O)O)N 1P00C7Q2 [0,0,1,0,0,1|2,0,0]=4 1958 B9R0.4 CSCC[C@H](CC(=O)O)N 1P01KL8J [0,0,1,0,0,1|2,0,0]=4 1959 B9R0.4 NCCCC(CC(=O)O)N 1P027RZB [0,0,1,0,0,1|1,0,1]=4 1960 B9R0.4 NCCC[C@@H](CC(=O)O)N 1P01BJRD [0,0,1,0,0,1|1,0,1]=4 1961 B9R0.55 CC(=O)CCCCC(=O)C 1P001TQG [0,0,1,0,0,1|2,0,0]=4 1962 B9R0.55 CC(=O)CCCCC(=O)O 1P0034N3 [0,0,1,0,0,1|1,0,0]=3 1963 B9R0.55 CC(CCCCC(=O)O)N 1P01AJKO [0,0,1,0,0,1|1,0,1]=4 1964 B9R0.55 ClC(=O)CCCCC(=O)Cl 1P003O5N [0,0,1,0,0,1|2,0,0]=4 1965 B9R0.55 NC(=N)NCCCC(=O)O 1P00738Q [0,0,1,0,0,1|1,0,0]=3 1966 B9R0.55 NC(=O)CCCCC(=O)N 1P003O5L [0,0,1,0,0,1|1,0,0]=3 1967 B9R0.55 NC(=O)CCCCC(=O)O 1P00CBIY [0,0,1,0,0,1|0,0,0]=2 1968 B9R0.55 NC(=O)CNCCC(=O)N 1P0282NL [0,0,1,0,0,1|1,0,0]=3 1969 B9R0.55 OC(=O)CCC=CC(=O)O 1P00DKDG [0,0,1,0,0,1|1,0,1]=4 1970 B9R0.55 OC(=O)CCCC=C(Cl)Cl 1P028UWB [0,0,1,0,0,1|2,0,0]=4 1971 B9R0.55 OC(=O)CCCCC(=O)O 1P000LTN [0,0,1,0,0,1|1,0,0]=3 1972 B9R0.55 OC(=O)CCCCC(=O)O 1P001HZW [0,0,1,0,0,1|1,0,0]=3 1973 B9R0.55 OC(=O)CCCCC(=O)O 1P005FLC [0,0,1,0,0,1|1,0,0]=3 1974 B9R0.55 OC(=O)CCCCC(=O)O 1P00BC8M [0,0,1,0,0,1|1,0,0]=3 1975 B9R0.55 OC(=O)CCCCC(=O)O 1P00I3A9 [0,0,1,0,0,1|1,0,0]=3 1976 B9R0.55 OC(=O)CCCNC(=O)C 1P002ZTN [0,0,1,0,0,1|1,0,0]=3 1977 B9R0.55 OC(=O)CCCOC(=O)C 1P01DZQ9 [0,0,1,0,0,1|1,0,0]=3 1978 B9R0.55 OC(=O)CCCSC(=O)C 1P0004X8 [0,0,1,0,0,1|1,0,0]=3 1979 B9R0.55 OC(=O)CCSCC(=O)N 1P019LVN [0,0,1,0,0,1|0,0,0]=2 1980 B9R0.55 OC(=O)CC\C=C\C(=O)O 1P01A26I [0,0,1,0,0,1|1,0,1]=4 1981 B9R0.55 OC(=O)C\C=C\CC(=O)O 1P003VCP [0,0,1,0,0,1|1,0,1]=4 1982 B9R0.55 O[13C](=O)[13CH2][13CH2][13CH2][13CH2][13C](=O)O 1P01CBY6 [0,0,1,0,0,1|1,0,0]=3 1983 B9R0.55 [O-]C(=O)CCCCC(=O)[O-] 1P003Q7X [0,0,1,0,0,1|1,0,1]=4 1984 B9R1.2 BrCC1CCCC(=O)N1 1P0287UD [1,0,0,0,0,1|1,0,1]=4 1985 B9R1.2 BrC[C@H]1CCCC(=O)N1 1P028Z8G [1,0,0,0,0,1|1,0,1]=4 1986 B9R1.2 C=CC1CCCC(=O)C1 1P001ZUS [1,0,0,0,0,1|2,0,0]=4 1987 B9R1.2 CCC1CNCC(=O)N1 1P027X50 [1,0,0,0,0,1|1,0,1]=4 1988 B9R1.2 CCC1COCC(=O)N1 1P008PA4 [1,0,0,0,0,1|1,0,1]=4 1989 B9R1.2 COC1CCCC(=O)N1 1P01BB4D [1,0,0,0,0,1|2,0,0]=4 1990 B9R1.2 ClCC1CCCC(=O)N1 1P01AJPC [1,0,0,0,0,1|1,0,1]=4 1991 B9R1.2 NCC1CCCC(=O)N1 1P00HF9Q [1,0,0,0,0,1|1,0,1]=4 1992 B9R1.2 NC[C@H]1CCCC(=O)N1 1P01FKAV [1,0,0,0,0,1|1,0,1]=4 1993 B9R1.2 O=C1N[C@@H](CC)CNC1 1P01KBCN [1,0,0,0,0,1|1,0,1]=4 1994 B9R1.2 OCC1CC(=O)CCO1 1P0222X2 [1,0,0,0,0,1|1,0,1]=4 1995 B9R1.2 OCC1CCCC(=O)N1 1P00203X [1,0,0,0,0,1|0,0,1]=3 1996 B9R1.2 OCC1CCNC(=O)C1 1P00E3Y5 [1,0,0,0,0,1|1,0,1]=4 1997 B9R1.2 OCC1CNCC(=O)N1 1P01B4N1 [1,0,0,0,0,1|0,0,1]=3 1998 B9R1.2 OCC1COCC(=O)N1 1P008ZWI [1,0,0,0,0,1|0,0,1]=3 1999 B9R1.2 OC[C@@H]1CCCC(=O)N1 1P000YT8 [1,0,0,0,0,1|0,0,1]=3 2000 B9R1.2 OC[C@@H]1CNCC(=O)N1 1P00CG5C [1,0,0,0,0,1|0,0,1]=3 2001 B9R1.2 OC[C@H]1CCCC(=O)N1 1P00734T [1,0,0,0,0,1|0,0,1]=3 2002 B9R1.2 OC[C@H]1COCC(=O)N1 1P01KKEK [1,0,0,0,0,1|0,0,1]=3 2003 B9R1.13 CC(=O)CC1CCC=C1 1P008SAV [1,0,0,0,0,1|2,0,0]=4 2004 B9R1.13 NC(=O)CC1CCCN1 1P01A4LJ [1,0,0,0,0,1|1,0,1]=4 2005 B9R1.13 NC(=O)C[C@@H]1CCCN1 1P028E6Z [1,0,0,0,0,1|1,0,1]=4 2006 B9R1.13 NC(=O)C[C@H]1CCCN1 1P0240HS [1,0,0,0,0,1|1,0,1]=4 2007 B9R1.13 OC(=O)CC1CC=CC1 1P005IZY [1,0,0,0,0,1|1,0,1]=4 2008 B9R1.13 OC(=O)CC1CCC=C1 1P0012OZ [1,0,0,0,0,1|1,0,0]=3 2009 B9R1.13 OC(=O)CC1CCCC1 1P003PNA [1,0,0,0,0,1|1,0,1]=4 2010 B9R1.13 OC(=O)CC1CCCN1 1P005ESH [1,0,0,0,0,1|0,0,1]=3 2011 B9R1.13 OC(=O)CC1CCCO1 1P00BF6B [1,0,0,0,0,1|1,0,1]=4 2012 B9R1.13 OC(=O)CC1CNCC1 1P0036QT [1,0,0,0,0,1|2,0,0]=4 2013 B9R1.13 OC(=O)CC1CNCC1 1P00G8PC [1,0,0,0,0,1|2,0,0]=4 2014 B9R1.13 OC(=O)CC1COCC1 1P0019RH [1,0,0,0,0,1|2,0,0]=4 2015 B9R1.13 OC(=O)CC1CSCC1 1P01B2MI [1,0,0,0,0,1|2,0,0]=4 2016 B9R1.13 OC(=O)C[C@@H]1CCCN1 1P0037NF [1,0,0,0,0,1|0,0,1]=3 2017 B9R1.13 OC(=O)C[C@@H]1CCCN1 1P003D1B [1,0,0,0,0,1|0,0,1]=3 2018 B9R1.13 OC(=O)C[C@@H]1COCC1 1P001EAA [1,0,0,0,0,1|2,0,0]=4 2019 B9R1.13 OC(=O)C[C@H]1CCCN1 1P0038BU [1,0,0,0,0,1|0,0,1]=3 2020 B9R1.13 OC(=O)C[C@H]1CCCN1 1P00EKFJ [1,0,0,0,0,1|0,0,1]=3 2021 B9R1.13 OC(=O)C[C@H]1CCCO1 1P01C638 [1,0,0,0,0,1|1,0,1]=4 2022 B9R1.13 OC(=O)C[C@H]1CNCC1 1P0017PI [1,0,0,0,0,1|2,0,0]=4 2023 B9R1.13 OC(=O)C[C@H]1COCC1 1P001EA9 [1,0,0,0,0,1|2,0,0]=4 2024 B11R1.20 O=C1CCC(CC1)NC(=O)C 1P002UG8 [0,0,0,0,0,2|2,0,0]=4 2025 B11R1.20 O=C1CCC(CC1)OC(=O)C 1P00CBDQ [0,0,0,0,0,2|2,0,0]=4 2026 B11R1.20 OC(=O)CC1CCC(=O)CC1 1P00DEJQ [0,0,0,0,0,2|1,0,0]=3 2027 B11R1.20 OC(=O)CC1CCC(=O)NC1 1P01C1V4 [0,0,0,0,0,2|0,0,0]=2 2028 B11R1.20 OC(=O)CN1CCC(=O)CC1 1P00BFB4 [0,0,0,0,0,2|2,0,0]=4 2029 B11R1.565 O=C1CCCC(CC1)C(=O)O 1P006PNY [0,0,0,0,0,2|1,0,0]=3 2030 B11R1.565 O=C1NCCC(CC1)C(=O)O 1P01AFMY [0,0,0,0,0,2|0,0,0]=2 2031 B11R1.565 O=C1NCCN(CC1)C(=O)C 1P01A2TL [0,0,0,0,0,2|2,0,0]=4 2032 B11R1.565 O=C1OCCC(CC1)C(=O)O 1P00E7V3 [0,0,0,0,0,2|1,0,0]=3 2033 B11R1.75 OC(=O)CCC1CCC(=O)C1 1P00CM6U [0,0,0,0,0,2|1,0,0]=3 2034 B11R1.75 OC(=O)CCC1CCC(=O)N1 1P008P8S [0,0,0,0,0,2|0,0,0]=2 2035 B11R1.75 OC(=O)CCC1CNC(=O)N1 1P0284Y4 [0,0,0,0,0,2|1,0,0]=3 2036 B11R1.157 CC(=O)CC1CCCC(=O)N1 1P01C3MM [0,0,0,0,0,2|1,0,0]=3 2037 B11R1.157 NC(=O)CC1CCCC(=O)N1 1P01AJPE [0,0,0,0,0,2|1,0,0]=3 2038 B11R1.157 O=C1OCCC(C1)SC(=O)C 1P028AF1 [0,0,0,0,0,2|2,0,0]=4 2039 B11R1.157 OC(=O)CC1CCCC(=O)C1 1P01DWV6 [0,0,0,0,0,2|1,0,0]=3 2040 B11R1.157 OC(=O)CC1CCCC(=O)N1 1P01BB4C [0,0,0,0,0,2|0,0,0]=2 2041 B11R1.157 OC(=O)CC1CCNC(=O)C1 1P0203YS [0,0,0,0,0,2|1,0,0]=3 2042 B11R1.157 OC(=O)CC1CCNC(=O)C1 1P024HOL [0,0,0,0,0,2|1,0,0]=3 2043 B11R1.157 OC(=O)CN1CCNC(=O)C1 1P00I5CK [0,0,0,0,0,2|2,0,0]=4 2044 B11R1.157 OC(=O)CN1CCNC(=O)C1 1P01BW7T [0,0,0,0,0,2|2,0,0]=4 2045 B11R1.157 OC(=O)CN1CCOC(=O)C1 1P002ZYK [0,0,0,0,0,2|2,0,0]=4 2046 B11R1.497 O=C1CCCCC(N1)C(=O)O 1P00J8C4 [0,0,0,0,0,2|0,0,0]=2 2047 B11R1.497 O=C1NCCNC(C1)C(=O)N 1P028M5P [0,0,0,0,0,2|2,0,0]=4