0 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 B050535 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.91 O=C(O)CCC1=NC=CC=C1 B039507 [1,0,0,0,0,0|1,0,0]=2 2 B11R1.91 O=C(O)CNC1=CC=CC=C1 B003332 [1,0,0,0,0,0|1,0,0]=2 3 B11R1.91 O=C(O)CSC1=NC=CC=C1 B003349 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.133 CC(OC1=CC=C(I)C=C1)C(=O)O B047260 [0,1,0,0,0,0|2,0,0]=3 5 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O B013908 [0,1,0,0,0,0|2,0,0]=3 6 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 B022610 [0,0,0,1,0,0|1,0,0]=2 7 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 B050800 [0,0,0,1,0,0|2,0,1]=4 8 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 B030509 [0,0,0,1,0,0|1,0,2]=4 9 B13R2.435 O=C(O)C1CC2=CC=CC=C2C1 B049481 [0,0,0,1,0,0|1,0,0]=2 10 B11R1.35 CC(CN1C=CC=N1)C(=O)O B035833 [0,0,0,0,1,0|3,0,0]=4 11 B13R1.351 NC(CCC1=CC=CC=N1)C(=O)O B050715 [0,0,0,0,0,1|1,0,0]=2 12 B10R1.18 CC(N)CC1=CC=CC=N1 B037029 [2,0,0,0,0,0|1,0,1]=4 13 B10R1.18 NC(=S)CC1=CC=CC=C1 B039022 [2,0,0,0,0,0|0,1,1]=4 14 B12R1.50 N\C(CC1=CC(Cl)=CC=C1)=N/O B034862 [1,1,0,0,0,0|1,0,1]=4 15 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 B003322 [1,1,0,0,0,0|1,0,0]=3 16 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 B039360 [1,1,0,0,0,0|0,0,0]=2 17 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 B029582 [1,1,0,0,0,0|0,0,0]=2 18 B12R1.27 NNC(=O)CNC1=CC=CC=C1 B003339 [1,1,0,0,0,0|2,0,0]=4 19 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 B048718 [1,1,0,0,0,0|1,0,1]=4 20 B12R1.125 CC1=CC=CC=C1NCC(=O)O B003329 [1,1,0,0,0,0|1,0,0]=3 21 B12R1.226 CC1=CC(NCC(=O)O)=CC=C1 B003340 [1,1,0,0,0,0|1,0,0]=3 22 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 B049111 [1,1,0,0,0,0|0,0,0]=2 23 B12R1.478 CC(=O)C(C#N)C1=CC=CC=C1 B048679 [0,1,0,0,1,0|1,0,1]=4 24 B14R1.161 CC1=C(OCC(O)C(=O)O)C=CC=C1 B050053 [0,1,0,0,0,1|1,0,0]=3 25 B14R1.536 CCC(OC1=CC=C(Br)C=C1)C(=O)O B013883 [0,2,0,0,0,0|2,0,0]=4 26 B14R1.536 CCC(OC1=CC=C(C)C=C1)C(=O)O B013878 [0,2,0,0,0,0|2,0,0]=4 27 B14R1.536 CCC(OC1=CC=C(Cl)C=C1)C(=O)O B013882 [0,2,0,0,0,0|2,0,0]=4 28 B14R1.7626 CC(C)(OC1=CC=C(Br)C=C1)C(=O)O B013927 [0,2,0,0,0,0|2,0,0]=4 29 B14R1.135 COC(=O)C(C)OC1=CC(Cl)=CC=C1 B006642 [0,2,0,0,0,0|2,0,0]=4 30 B14R1.3135 COC1=CC=CC=C1OC(C)C(=O)O B006194 [0,2,0,0,0,0|2,0,0]=4 31 B14R1.5882 CC(C)(OC1=C(Cl)C=CC=C1)C(=O)O B013929 [0,2,0,0,0,0|2,0,0]=4 32 B14R1.5882 CC1=C(OC(C)(C)C(=O)O)C=CC=C1 B013920 [0,2,0,0,0,0|2,0,0]=4 33 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CN1 B017726 [0,0,0,1,0,1|1,0,0]=3 34 B14R2.4402 CC1=CC=C(C2CC2C(=O)O)C=C1 B022968 [0,1,0,1,0,0|1,0,0]=3 35 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 B006809 [0,1,0,1,0,0|1,0,0]=3 36 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)N1 B050293 [0,1,0,1,0,0|0,0,2]=4 37 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)N1 B039277 [0,1,0,1,0,0|0,0,2]=4 38 B14R2.4529 O=C(O)C1=NC2=CC(F)=CC=C2N1 B039408 [0,1,0,1,0,0|1,0,1]=4 39 B14R2.958 NNC(=O)C1CC1C2=CC=CC=C2 B000956 [0,1,0,1,0,0|2,0,0]=4 40 B10R1.15 CCC(N)C1=CC=CC=C1 B006605 [1,0,0,0,1,0|1,0,1]=4 41 B10R1.15 N\C(=N/O)C1=CC=CC=C1 B020566 [1,0,0,0,1,0|1,0,1]=4 42 B10R1.66 O=C(O)CCC1=CC=NO1 B049851 [1,0,0,0,1,0|2,0,0]=4 43 B10R1.66 O=C(O)CCN1C=CC=N1 B040707 [1,0,0,0,1,0|2,0,0]=4 44 B10R1.23 CC(C(=O)O)N1C=CC=C1 B049276 [0,0,0,0,2,0|2,0,0]=4 45 B12R1.252 O=C(O)CCCC1=CC=CC=N1 B050627 [1,0,0,0,0,1|1,0,0]=3 46 B12R1.252 O=C(O)CCCC1=CC=NC=C1 B050634 [1,0,0,0,0,1|1,0,0]=3