0 B9R1.22 CC1=CC(C=O)=C(C)N1 BBL012646 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.22 CC1=CC(C=O)=C(C)S1 BBL039889 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.22 CC1=NN(C)C(C#N)=C1 BBL039937 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.22 CC1=NN(C)C(C=O)=C1 BBL104313 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.22 CC1=NN(C)C=C1C#N BBL039936 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.1 CC1=CC=C(C=O)N1 BBL011859 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.1 NC1=NC=C(C=O)S1 BBL013302 [1,0,0,0,0,0|2,0,0]=3 7 B8R1.1 O=CC1=CC=C(Br)S1 BBL012655 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.1 O=CC1=CC=C(Cl)S1 BBL037784 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.1 O=CC1=CN=C(Br)S1 BBL030098 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.18 CC1=C(C)SC(Br)=N1 BBL031925 [1,0,0,0,0,0|1,0,1]=3 11 B8R1.18 CC1=NC(Br)=C(Br)N1 BBL028841 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.18 CC1=NN(C)C=C1Br BBL016252 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.18 CC1=NN(C)C=C1N BBL013092 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 BBL014152 [0,1,0,0,0,0|1,0,1]=3 15 B10R1.59 CC(=O)C1=CC(C)=NN1C BBL038942 [0,1,0,0,0,0|2,0,1]=4 16 B10R1.59 CC(=O)C1=CN(C)N=C1C BBL039652 [0,1,0,0,0,0|2,0,1]=4 17 B10R1.59 CC1=C(C(=O)O)SC(Cl)=N1 BBL030132 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 BBL005562 [0,1,0,0,0,0|2,0,0]=3 19 B10R1.59 CC1=C(C(=O)O)SC(O)=N1 BBL036810 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.59 CC1=CC(C(=O)Cl)=C(C)O1 BBL014856 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 BBL012869 [0,1,0,0,0,0|2,0,1]=4 22 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 BBL014473 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.59 CC1=NC(C(=O)O)=C(C)S1 BBL031605 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 BBL030451 [0,1,0,0,0,0|1,1,0]=3 25 B10R1.59 CC1=NN(C)C=C1C(=O)Cl BBL037776 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.130 CC1=NN(C)C=C1\C=N/O BBL038001 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.256 CC1=C(Br)C(C=O)=C(C)N1 BBL033354 [0,1,0,0,0,0|2,0,1]=4 28 B10R1.256 CC1=C(I)C(C=O)=C(C)N1 BBL033358 [0,1,0,0,0,0|2,0,1]=4 29 B7R1.1 O=CC1=CN=CN1 BBL029981 [2,0,0,0,0,0|2,0,0]=4 30 B7R1.2 CC1=CN=C(Br)S1 BBL031032 [2,0,0,0,0,0|1,0,1]=4 31 B7R1.2 CC1=CN=C(Cl)S1 BBL011206 [2,0,0,0,0,0|1,0,1]=4 32 B7R1.2 CC1=CNC(C)=N1 BBL027875 [2,0,0,0,0,0|1,0,0]=3 33 B7R1.2 CC1=NN(C)C=C1 BBL038742 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.21 CCC1=CC=C(C=O)S1 BBL040916 [1,1,0,0,0,0|2,0,0]=4 35 B9R1.23 CC1=C(Br)C=C(C=O)S1 BBL104319 [1,1,0,0,0,0|2,0,0]=4 36 B9R1.35 CC1=CC=C(C(=O)Cl)S1 BBL014853 [1,1,0,0,0,0|2,0,0]=4 37 B9R1.35 CC1=CC=C(C(=O)O)S1 BBL037421 [1,1,0,0,0,0|2,0,0]=4 38 B9R1.35 O=C(O)C1=CN=C(Br)S1 BBL010885 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.48 CC1=C(C=O)SC(N(C)C)=N1 BBL030922 [0,2,0,0,0,0|1,0,0]=3 40 B11R1.50 CNC1=NC(C)=C(C(=O)O)S1 BBL029772 [0,2,0,0,0,0|1,0,0]=3 41 B11R1.50 COC1=NC(C)=C(C(=O)O)S1 BBL011121 [0,2,0,0,0,0|1,0,0]=3 42 B9R1.34 CC1=NC(C)=NC(Cl)=C1 BBL028444 [0,0,1,1,0,0|2,0,0]=4