0 B12R1.6 O=CC1=CC=C(S(=O)(=O)O)C=C1 BB32-2495 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 BB32-3619 [1,0,0,0,0,0|2,0,0]=3 2 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 BB31-5026 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.3 NCC1=CC=C(B(O)O)C=C1 BB32-2236 [1,0,0,0,0,0|1,0,2]=4 4 B11R1.19 CS(=N)(=O)C1=CC=C(Cl)C=C1 BB32-1424 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.19 CS(=N)(=O)C1=CC=C(F)C=C1 BB32-3211 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.19 CS(=O)(=O)C1=CC=C(I)C=C1 BB32-3594 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.19 CS(=O)(=O)C1=CN=C(Cl)C=C1 BB31-5304 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.19 CS(=O)(=O)C1=CN=C(N)C=C1 BB31-5653 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.19 CS(=O)(=O)C1=NC=C(Br)C=C1 BB31-7137 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.19 NC1=NC=C(S(N)(=O)=O)C=C1 BB32-3349 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.19 O=S(=O)(F)C1=CC=C(O)C=C1 BB31-7821 [1,0,0,0,0,0|2,0,0]=3 12 B13R1.38 CS(=O)(=O)C1=CC(F)=C(C=O)C=C1 BB31-1375 [0,1,0,0,0,0|2,0,1]=4 13 B13R1.96 CS(=O)(=O)C1=C(Br)C=C(C=O)C=C1 BB31-5769 [0,1,0,0,0,0|2,0,1]=4 14 B13R1.187 CCS(=O)(=O)C1=CC=C(CN)C=C1 BB31-4665 [0,1,0,0,0,0|1,0,0]=2 15 B13R1.338 CN(C)C1=CC=C(S(N)(=O)=O)C=C1 BB32-3497 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.3 C#CC1=CC=C(CN)C=C1 BB31-3872 [2,0,0,0,0,0|2,0,0]=4 17 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 BB31-5404 [2,0,0,0,0,0|1,0,1]=4 18 B10R1.13 N=C(N)C1=CC=C(N)C=C1 BB31-7117 [2,0,0,0,0,0|2,0,0]=4 19 B10R1.13 NC(=O)C1=NC=C(N)C=C1 BB31-2838 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.28 CS(=O)(=O)C1=CC=NC=C1 BB32-0682 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.28 C[S@](=N)(=O)C1=CC=CC=C1 BB31-5431 [2,0,0,0,0,0|1,0,1]=4 22 B12R1.256 C[C@@H](N)C1=CC=C(C(=O)O)C=C1 BB31-5415 [1,1,0,0,0,0|1,0,1]=4 23 B12R1.9 CC1=CC=C(S(=O)(=O)NO)C=C1 BB31-3057 [1,1,0,0,0,0|0,0,0]=2 24 B12R1.9 CCS(=O)(=O)C1=CC=C(Br)C=C1 BB32-1042 [1,1,0,0,0,0|2,0,0]=4 25 B12R1.9 CCS(=O)(=O)C1=CC=C(C)C=C1 BB31-8704 [1,1,0,0,0,0|1,0,0]=3 26 B12R1.9 CNS(=O)(=O)C1=NC=C(N)C=C1 BB20-3103 [1,1,0,0,0,0|1,0,0]=3 27 B12R1.9 NNS(=O)(=O)C1=CC=C(I)C=C1 BB31-4443 [1,1,0,0,0,0|1,0,0]=3 28 B12R1.23 CC1=C(Br)C=C(S(N)(=O)=O)C=C1 BB31-4168 [1,1,0,0,0,0|0,0,0]=2 29 B12R1.23 NC1=C(Cl)C=C(S(N)(=O)=O)C=C1 BB31-4916 [1,1,0,0,0,0|0,0,0]=2 30 B12R1.23 NC1=C(Cl)C=CC(S(=O)(=O)F)=C1 BB31-7823 [1,1,0,0,0,0|2,0,0]=4 31 B12R1.23 NC1=C(Cl)C=CC(S(N)(=O)=O)=C1 BB31-4531 [1,1,0,0,0,0|1,0,0]=3 32 B12R1.23 NS(=O)(=O)C1=CN=C(Cl)C(Cl)=C1 BB32-3483 [1,1,0,0,0,0|2,0,0]=4 33 B12R1.126 CC1=C(S(N)(=O)=O)C=CC(Br)=C1 BB31-0446 [1,1,0,0,0,0|1,0,0]=3 34 B12R1.126 CS(=O)(=O)C1=C(Br)C=C(F)C=C1 BB31-7950 [1,1,0,0,0,0|2,0,0]=4 35 B12R1.126 CS(=O)(=O)C1=C(F)C=C(N)C=C1 BB31-4702 [1,1,0,0,0,0|1,0,0]=3 36 B14R1.414 NS(=O)(=O)CC1=CC=C([N+](=O)[O-])C=C1 BB31-6421 [0,1,0,0,0,1|2,0,0]=4 37 B14R1.806 CS(=O)(=O)C1=CC=C(NC(N)=S)C=C1 BB31-8602 [0,2,0,0,0,0|1,0,1]=4 38 B14R1.806 NC(=S)NC1=CC=C(S(N)(=O)=O)C=C1 BB32-0636 [0,2,0,0,0,0|0,0,1]=3 39 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 BB32-0934 [1,0,0,0,0,1|2,0,0]=4 40 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 BB32-1158 [1,0,0,0,0,1|2,0,0]=4 41 B12R1.106 NC1=CC=C(CS(N)(=O)=O)C=C1 BB32-2797 [1,0,0,0,0,1|0,0,0]=2 42 B12R1.436 C#CC1=CC=CC(S(N)(=O)=O)=C1 BB31-9775 [0,0,0,0,1,1|1,0,1]=4 43 B12R1.436 CS(=O)(=O)C1=CC(CN)=CC=C1 BB31-5737 [0,0,0,0,1,1|1,0,0]=3 44 B12R1.436 NCC1=CC=CC(S(N)(=O)=O)=C1 BB32-3748 [0,0,0,0,1,1|0,0,0]=2