0 B17R2.915365 O=C1CC(C)(C)Oc2c1cc(cc2)C(=O)O 1P00EFDT [0,0,0,0,0,0|1,0,1]=2 1 B17R2.915365 O=C1CC(C)(C)Oc2c1cc(cc2)[N+](=O)[O-] 1P008SOI [0,0,0,0,0,0|2,0,1]=3 2 B16R2.27376 CC(=O)c1ccc2c(c1)C=CC(O2)(C)C 1P002ETQ [1,0,0,0,0,0|0,0,3]=4 3 B16R2.27376 CC(=O)c1ccc2c(c1)CCC(O2)(C)C 1P00CKLZ [1,0,0,0,0,0|0,0,3]=4 4 B16R2.27376 CC(c1ccc2c(c1)CCC(O2)(C)C)N 1P028ADC [1,0,0,0,0,0|1,0,1]=3 5 B16R2.27376 CC(c1ccc2c(c1)CCC(O2)(C)C)O 1P028631 [1,0,0,0,0,0|0,0,1]=2 6 B16R2.27376 OB(c1ccc2c(c1)CCC(O2)(C)C)O 1P00BJZR [1,0,0,0,0,0|2,0,1]=4 7 B16R2.27376 OC(=O)c1ccc2c(c1)CCC(O2)(C)C 1P0029N9 [1,0,0,0,0,0|1,0,2]=4 8 B16R2.204026 COc1ccc2c(c1)C(=O)CC(O2)(C)C 1P019TVA [1,0,0,0,0,0|1,0,0]=2 9 B16R2.204026 N#Cc1ccc2c(c1)C(=O)CC(O2)(C)C 1P0074QK [1,0,0,0,0,0|1,0,1]=3 10 B16R2.204026 O=Cc1ccc2c(c1)C(=O)OC(O2)(C)C 1P01XFHA [1,0,0,0,0,0|1,0,2]=4 11 B18R2.1778350 COC(=O)c1ccc2c(c1)C(=O)CC(O2)(C)C 1P01DF17 [0,1,0,0,0,0|0,0,2]=3 12 B16R1.18159 CC(Oc1ccc(cc1C(=O)C)C(=O)O)C 1P00I5AI [0,0,1,0,0,0|1,0,1]=3 13 B16R2.356367 O=C1CC(c2c1cc(cc2)[N+](=O)[O-])(C)C 1P01A1YN [0,0,0,0,1,0|2,0,1]=4 14 B16R2.356367 O=C1OC(c2c1cc(cc2)C(=O)O)(C)C 1P01DWI4 [0,0,0,0,1,0|2,0,1]=4 15 B18R2.5414392 O=C1NCC(Oc2c1cc(cc2)C(=O)O)(C)C 1P028D5I [0,0,0,0,0,1|1,0,1]=3 16 B15R1.37 COc1cc(ccc1OC(C)C)C(N)C 1P019N60 [1,0,1,0,0,0|2,0,0]=4 17 B15R1.37 O=Cc1cc(ccc1OC(C)C)B(O)O 1P003C93 [1,0,1,0,0,0|2,0,0]=4 18 B15R1.37 O=Cc1cc(ccc1OC(C)C)C(=O)O 1P01BKZ8 [1,0,1,0,0,0|1,0,1]=4 19 B15R2.61353 O=C1CCCc2c1cc(cc2)C(C)C 1P00CNCF [2,0,0,0,0,0|2,0,0]=4 20 B15R2.61353 O=C1CCOc2c1cc(cc2)C(=O)O 1P01G04I [2,0,0,0,0,0|1,0,1]=4 21 B15R2.61353 O=C1CCOc2c1cc(cc2)C(C)C 1P002BX2 [2,0,0,0,0,0|1,0,0]=3 22 B15R2.50278 Brc1ccc2c(c1)C(=O)CC(C2)(C)C 1P009MDP [2,0,0,0,0,0|2,0,0]=4 23 B15R2.50278 Brc1ccc2c(c1)C(=O)CC(O2)(C)C 1P003WKJ [2,0,0,0,0,0|1,0,0]=3 24 B15R2.50278 Brc1ccc2c(c1)C(=O)NC(O2)(C)C 1P01BBNJ [2,0,0,0,0,0|2,0,0]=4 25 B15R2.50278 Brc1ncc2c(c1)C(=O)CC(O2)(C)C 1P028DDM [2,0,0,0,0,0|2,0,0]=4 26 B15R2.50278 Cc1ccc2c(c1)C(=O)CC(C2)(C)C 1P028B8S [2,0,0,0,0,0|1,0,0]=3 27 B15R2.50278 Cc1ccc2c(c1)C(=O)CC(O2)(C)C 1P01IWWQ [2,0,0,0,0,0|0,0,0]=2 28 B15R2.50278 Cc1ccc2c(c1)C(N)CC(O2)(C)C 1P00J2J9 [2,0,0,0,0,0|1,0,1]=4 29 B15R2.50278 Clc1ccc2c(c1)C(=O)CC(C2)(C)C 1P028ASV [2,0,0,0,0,0|2,0,0]=4 30 B15R2.50278 Fc1ccc2c(c1)C(=O)CC(C2)(C)C 1P028B5Q [2,0,0,0,0,0|2,0,0]=4 31 B15R2.50278 Fc1ccc2c(c1)C(=O)CC(O2)(C)C 1P007FDV [2,0,0,0,0,0|1,0,0]=3 32 B15R2.50278 Nc1ccc2c(c1)C(=O)CC(O2)(C)C 1P00AQ4N [2,0,0,0,0,0|1,0,0]=3 33 B15R2.50278 Nc1ccc2c(c1)C(=O)CC(O2)(C)C 1P028IWI [2,0,0,0,0,0|1,0,0]=3 34 B15R2.50278 Oc1ccc2c(c1)C(=O)CC(O2)(C)C 1P00C7QI [2,0,0,0,0,0|0,0,0]=2 35 B15R2.50278 Oc1ccc2c(c1)C(=O)NC(O2)(C)C 1P028FRA [2,0,0,0,0,0|1,0,0]=3 36 B17R1.76986 O=C(c1cccc(c1N)C(O)C)OC(C)(C)C 1P00462K [0,1,1,0,0,0|2,0,0]=4 37 B17R1.24881 COC(=O)c1ccc(c(c1)C(=O)C)OC(C)C 1P002RHZ [0,1,1,0,0,0|0,0,2]=4 38 B15R2.16253 OC(=O)c1ccc2c(c1)CC(O2)(C)C 1P01C4JT [1,0,0,0,1,0|1,0,1]=4 39 B15R2.4796 COc1ccc2c(c1)C(=O)C(C2)(C)C 1P00AGGD [1,0,0,0,1,0|2,0,0]=4 40 B17R2.60527 CC(Cc1ccc2c(c1)CCC(O2)(C)C)O 1P028XWO [1,0,0,0,0,1|0,0,1]=3 41 B17R2.60527 C[C@H](Cc1ccc2c(c1)CCC(O2)(C)C)N 1P028KOK [1,0,0,0,0,1|1,0,1]=4 42 B17R2.65097 COc1ccc2c(c1)C(=O)NCC(O2)(C)C 1P0284C0 [1,0,0,0,0,1|1,0,0]=3 43 B17R2.910525 O=C1CCC(c2c1cc(cc2)C(=O)O)(C)C 1P01EKD5 [0,0,0,0,1,1|1,0,1]=4