0 B11R1.91 O=C(O)CCC1=NC=CC=C1 B039507 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.91 O=C(O)CNC1=CC=CC=C1 B003332 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.91 O=C(O)CSC1=NC=CC=C1 B003349 [0,0,0,0,0,0|1,1,0]=2 3 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 B003322 [0,1,0,0,0,0|1,0,0]=2 4 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 B039360 [0,1,0,0,0,0|1,0,0]=2 5 B12R1.21 NC1=CC=C(OCC(F)F)C=C1 B034851 [0,1,0,0,0,0|2,0,1]=4 6 B12R1.21 NC1=CC=C(OCC(F)F)C=C1 B037063 [0,1,0,0,0,0|2,0,1]=4 7 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 B029582 [0,1,0,0,0,0|1,0,0]=2 8 B12R1.27 NNC(=O)CNC1=CC=CC=C1 B003339 [0,1,0,0,0,0|2,0,0]=3 9 B12R1.27 NNC(=O)CSC1=NC=CC=C1 B003368 [0,1,0,0,0,0|2,1,0]=4 10 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 B050535 [0,1,0,0,0,0|2,0,0]=3 11 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 B048718 [0,1,0,0,0,0|2,0,1]=4 12 B12R1.125 CC1=CC=CC=C1NCC(=O)O B003329 [0,1,0,0,0,0|1,0,0]=2 13 B12R1.125 NC1=C(OCC(F)F)C=CC=C1 B034854 [0,1,0,0,0,0|2,0,1]=4 14 B12R1.226 CC1=CC(NCC(=O)O)=CC=C1 B003340 [0,1,0,0,0,0|1,0,0]=2 15 B12R1.226 NC1=CC=CC(OCC(F)F)=C1 B030863 [0,1,0,0,0,0|2,0,1]=4 16 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 B049111 [0,1,0,0,0,0|1,0,0]=2 17 B10R1.18 NC(=S)CC1=CC=CC=C1 B039022 [0,0,0,0,1,0|1,1,0]=3 18 B10R1.66 O=C(O)CCC1=CC=NO1 B049851 [0,0,0,0,1,0|3,0,0]=4 19 B10R1.66 O=C(O)CCN1C=CC=N1 B040707 [0,0,0,0,1,0|3,0,0]=4 20 B12R1.252 O=C(O)CCCC1=CC=CC=N1 B050627 [0,0,0,0,0,1|2,0,0]=3 21 B12R1.252 O=C(O)CCCC1=CC=NC=C1 B050634 [0,0,0,0,0,1|2,0,0]=3 22 B9R1.8 NOCC1=CC=CC=C1 B022277 [2,0,0,0,0,0|2,0,0]=4 23 B11R1.1 NC1=CC=C(OCCO)C=C1 B030702 [1,1,0,0,0,0|0,0,1]=3 24 B11R1.1 NC1=CC=C(OCCO)C=C1 B038630 [1,1,0,0,0,0|0,0,1]=3 25 B11R1.17 CC1=C(OCCN)C=CC=C1 B050096 [1,1,0,0,0,0|1,0,1]=4 26 B11R1.17 NC1=CC=CC=C1OCCO B030703 [1,1,0,0,0,0|0,0,1]=3 27 B11R1.24 CC1=CC=CC(OCCN)=C1 B050095 [1,1,0,0,0,0|1,0,1]=4 28 B11R1.86 NC(=O)NC1=CC=CC=C1Cl B028823 [0,1,0,0,1,0|2,0,0]=4 29 B11R1.157 CC(=O)CC1=CC(C)=CC=N1 B037032 [0,1,0,0,1,0|2,0,0]=4 30 B13R1.45 O=C(O)CCC(=O)C1=CN=CC=C1 B049227 [0,1,0,0,0,1|2,0,0]=4 31 B13R1.351 NC(CCC1=CC=CC=N1)C(=O)O B050715 [0,1,0,0,0,1|2,0,0]=4 32 B13R1.3 N#CC1=CC=C(OCC(=O)O)C=C1 B004261 [0,2,0,0,0,0|0,0,0]=2 33 B13R1.3 NC(=O)COC1=CC=C(C=O)C=C1 B000277 [0,2,0,0,0,0|1,0,0]=3 34 B13R1.3 O=CC1=CC=C(OCC(=O)O)C=C1 B004256 [0,2,0,0,0,0|0,0,0]=2 35 B13R1.14 CC1=CC=C(SCC(=O)NN)C=C1 B047323 [0,2,0,0,0,0|1,1,0]=4 36 B13R1.14 COC(=O)CCC1=CC=C(Cl)C=C1 B050273 [0,2,0,0,0,0|1,0,0]=3 37 B13R1.14 NNC(=O)COC1=CC=C(Cl)C=C1 B017807 [0,2,0,0,0,0|1,0,0]=3 38 B13R1.133 CC(OC1=CC=C(I)C=C1)C(=O)O B047260 [0,2,0,0,0,0|0,0,0]=2 39 B13R1.164 O=C(O)COC1=C(F)C=C(F)C=C1 B013798 [0,2,0,0,0,0|0,0,0]=2 40 B13R1.511 O=C(O)CNC1=CC=C(Cl)C(Cl)=C1 B003348 [0,2,0,0,0,0|1,0,0]=3 41 B13R1.511 O=C(O)\C=C\C1=CC(Br)=C(O)C=C1 B029874 [0,2,0,0,0,0|1,0,1]=4 42 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O B013908 [0,2,0,0,0,0|0,0,0]=2 43 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 B048525 [0,2,0,0,0,0|1,0,0]=3 44 B13R1.90 N#CC1=C(OCC(=O)O)C=CC=C1 B005814 [0,2,0,0,0,0|0,0,0]=2 45 B13R1.90 NC(=O)COC1=CC=CC=C1C=O B005815 [0,2,0,0,0,0|1,0,0]=3 46 B13R1.90 O=CC1=CC=CC=C1OCC(=O)O B005809 [0,2,0,0,0,0|0,0,0]=2 47 B13R1.3420 CC1=CC(C)=CC(OCC(=O)O)=C1 B013808 [0,2,0,0,0,0|0,0,0]=2 48 B11R2.10 NC1=NC2=CC=CC=C2O1 B039652 [0,0,0,1,1,0|2,0,0]=4 49 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 B022610 [0,0,0,1,0,1|1,0,0]=3 50 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 B030509 [0,1,0,1,0,0|0,1,1]=4 51 B13R2.435 O=C(O)C1CC2=CC=CC=C2C1 B049481 [0,1,0,1,0,0|1,0,0]=3 52 B13R2.5179 O=C1COC2=C(Cl)C=CC=C2N1 B050324 [0,1,0,1,0,0|1,0,0]=3 53 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)CC2 B049385 [0,1,0,1,0,0|2,0,0]=4 54 B9R1.13 O=C(O)CN1C=CC=N1 B030032 [0,0,0,0,2,0|2,0,0]=4 55 B9R1.13 O=C(O)CN1C=CN=C1 B039463 [0,0,0,0,2,0|2,0,0]=4