0 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 B050535 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.91 O=C(O)CCC1=NC=CC=C1 B039507 [1,0,0,0,0,0|1,0,1]=3 2 B11R1.91 O=C(O)CNC1=CC=CC=C1 B003332 [1,0,0,0,0,0|1,0,1]=3 3 B11R1.91 O=C(O)CSC1=NC=CC=C1 B003349 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.133 CC(OC1=CC=C(I)C=C1)C(=O)O B047260 [0,1,0,0,0,0|2,0,1]=4 5 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O B013908 [0,1,0,0,0,0|2,0,1]=4 6 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 B022610 [0,0,0,1,0,0|1,0,1]=3 7 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)N1 B050800 [0,0,0,1,0,0|3,0,0]=4 8 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 B006869 [0,0,0,1,0,0|2,0,1]=4 9 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 B030509 [0,0,0,1,0,0|1,1,0]=3 10 B13R2.435 O=C(O)C1CC2=CC=CC=C2C1 B049481 [0,0,0,1,0,0|1,0,1]=3 11 B13R1.351 NC(CCC1=CC=CC=N1)C(=O)O B050715 [0,0,0,0,0,1|2,0,1]=4 12 B10R1.18 NC(=S)CC1=CC=CC=C1 B039022 [2,0,0,0,0,0|1,1,0]=4 13 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 B030337 [1,1,0,0,0,0|2,0,0]=4 14 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 B014952 [1,1,0,0,0,0|2,0,0]=4 15 B12R1.50 N\C(CC1=CC(Cl)=CC=C1)=N/O B034862 [1,1,0,0,0,0|2,0,0]=4 16 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 B003322 [1,1,0,0,0,0|1,0,1]=4 17 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 B039360 [1,1,0,0,0,0|0,0,1]=3 18 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 B029582 [1,1,0,0,0,0|0,0,1]=3 19 B12R1.125 CC1=CC=CC=C1NCC(=O)O B003329 [1,1,0,0,0,0|1,0,1]=4 20 B12R1.226 CC1=CC(NCC(=O)O)=CC=C1 B003340 [1,1,0,0,0,0|1,0,1]=4 21 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 B049111 [1,1,0,0,0,0|0,0,1]=3 22 B14R1.698 CC(=O)CC(=O)NC1=CC=C(Br)C=C1 B029155 [0,1,0,0,0,1|2,0,0]=4 23 B14R1.5978 CC(=O)CC(=O)NC1=CC(C)=CC=C1 B029149 [0,1,0,0,0,1|2,0,0]=4 24 B14R1.5978 CC(=O)CC(=O)NC1=CC(Cl)=CC=C1 B029161 [0,1,0,0,0,1|2,0,0]=4 25 B14R1.161 CC1=C(OCC(O)C(=O)O)C=CC=C1 B050053 [0,1,0,0,0,1|0,0,2]=4 26 B12R2.32 O=CC1=NC2=CC=CC=C2S1 B059742 [1,0,0,1,0,0|1,1,0]=4 27 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CN1 B017726 [0,0,0,1,0,1|1,0,1]=4 28 B14R2.4402 CC1=CC=C(C2CC2C(=O)O)C=C1 B022968 [0,1,0,1,0,0|1,0,1]=4 29 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 B006809 [0,1,0,1,0,0|1,0,1]=4 30 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)N1 B050293 [0,1,0,1,0,0|1,0,1]=4 31 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)N1 B039277 [0,1,0,1,0,0|1,0,1]=4 32 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2O1 B049120 [0,1,0,1,0,0|0,0,2]=4 33 B14R2.4529 O=C(O)C1=NC2=CC(F)=CC=C2N1 B039408 [0,1,0,1,0,0|2,0,0]=4 34 B14R2.28472 NC1=C2NC(=O)C(=O)NC2=CC=C1 B050590 [0,1,0,1,0,0|2,0,0]=4 35 B10R1.15 C#CC(=O)C1=CC=CC=C1 B048976 [1,0,0,0,1,0|1,0,1]=4 36 B10R1.15 N\C(=N/O)C1=CC=CC=C1 B020566 [1,0,0,0,1,0|2,0,0]=4 37 B12R1.252 O=C(O)CCCC1=CC=CC=N1 B050627 [1,0,0,0,0,1|1,0,1]=4 38 B12R1.252 O=C(O)CCCC1=CC=NC=C1 B050634 [1,0,0,0,0,1|1,0,1]=4 39 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 B048565 [0,0,0,0,0,2|1,0,0]=3