0 B12R1.21 NC(=O)\C=C\C1=CC=C(F)C=C1 102676 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 093009 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 086592 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.1 CCCCC1=CC=C(S)C=C1 023116 [1,0,0,0,0,0|0,1,1]=3 4 B11R1.1 CCCCC1=CN=C(C)C=C1 032636 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.1 CCCSC1=CC=C(Cl)C=C1 094923 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.1 COCOC1=CC=C(Br)C=C1 235426 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.1 OCCCC1=CC=C(O)C=C1 209107 [1,0,0,0,0,0|0,0,2]=3 8 B11R1.91 CC(C)SCC1=CC=CC=C1 095090 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.91 CC(O)CCC1=CC=NC=C1 105817 [1,0,0,0,0,0|1,0,2]=4 10 B11R1.91 O=C(O)CNC1=CC=CC=[NH+]1 180553 [1,0,0,0,0,0|3,0,0]=4 11 B13R1.14 COC(=O)CSC1=CC=C(Cl)C=C1 094881 [0,1,0,0,0,0|2,0,0]=3 12 B13R1.164 O=C(O)CCC1=CC=C(F)C=C1Br 211926 [0,1,0,0,0,0|2,0,0]=3 13 B13R1.164 O=C(O)COC1=CC=C(F)C=C1Cl 065834 [0,1,0,0,0,0|3,0,0]=4 14 B13R1.511 CC1=C(Cl)C=CC(OCC(=O)O)=C1 059904 [0,1,0,0,0,0|3,0,0]=4 15 B13R1.511 O=C(O)COC1=CC(Cl)=C(Cl)C=C1 103030 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.512 CC1=CC=C(CCS(=O)(=O)Cl)C=C1 020889 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.20 C=C(C)CC1=CC=C(Cl)C=C1 200111 [0,0,0,0,1,0|2,0,0]=3 18 B11R1.20 O=C(Cl)CC1=CC=C(I)C=C1 402653 [0,0,0,0,1,0|2,0,0]=3 19 B10R1.17 CCCCC1=CC=CC=N1 180367 [2,0,0,0,0,0|1,0,1]=4 20 B12R1.1 CCCCOC1=CC=C(Br)C=C1 080308 [1,1,0,0,0,0|1,0,1]=4 21 B12R1.1 CCCNCC1=CC=C(C)C=C1 523051 [1,1,0,0,0,0|1,0,1]=4 22 B12R1.1 COCCSC1=CC=C(C)C=C1 094920 [1,1,0,0,0,0|2,0,0]=4 23 B12R1.1 COCCSC1=CC=C(Cl)C=C1 094919 [1,1,0,0,0,0|2,0,0]=4 24 B12R1.69 O=CNCC1=C(F)C=C(F)C=C1 104499 [1,1,0,0,0,0|2,0,0]=4 25 B12R1.71 CCCSC1=CC=C(OC)C=C1 095118 [1,1,0,0,0,0|1,0,1]=4 26 B12R1.27 CNC(=O)COC1=CC=CC=C1 105775 [1,1,0,0,0,0|1,0,0]=3 27 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O 328702 [1,1,0,0,0,0|2,0,0]=4 28 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 099861 [1,1,0,0,0,0|1,0,0]=3 29 B12R1.226 CC1=CC=CC(SCC(=O)O)=C1 085104 [1,1,0,0,0,0|2,0,0]=4 30 B12R1.19 NC(=O)CC1=CC(F)=C(F)C=C1 102662 [0,1,0,0,1,0|2,0,0]=4 31 B12R1.233 NC(=O)CC1=C(F)C=C(Cl)C=C1 102743 [0,1,0,0,1,0|2,0,0]=4 32 B12R1.233 O=C(Cl)CC1=CC=C(Cl)C=C1F 070168 [0,1,0,0,1,0|2,0,0]=4 33 B14R1.13 COC(=O)CSCC1=CC=C(F)C=C1 095170 [0,1,0,0,0,1|1,0,0]=3 34 B14R1.10 COC(=O)CC(=O)C1=CC=C(O)C=C1 103236 [0,2,0,0,0,0|0,0,1]=3 35 B14R1.727 COC(=O)CSC1=C(Cl)C=C(Cl)C=C1 094706 [0,2,0,0,0,0|2,0,0]=4 36 B14R1.833 COC(=O)COC1=CC(F)=C(Cl)C=C1 098779 [0,2,0,0,0,0|2,0,0]=4 37 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 028145 [0,0,0,1,0,1|2,0,0]=4 38 B10R1.18 O=C(O)C[N+]1=CC=CC=C1 181870 [1,0,0,0,1,0|2,0,0]=4 39 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 180386 [1,0,0,0,1,0|2,0,0]=4 40 B12R1.252 CC(=O)NCCC1=CC=NC=C1 032575 [1,0,0,0,0,1|1,0,0]=3 41 B14R1.677 O=C(O)CCCOC1=CC=C(Cl)C=C1 060082 [0,0,0,0,0,2|2,0,0]=4