0 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 B029947 [0,0,0,0,0,0|1,2,0]=3 1 B10R1.58 CC1=CC(C(=O)O)=NN1C B035940 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.58 CN1N=C(C(=O)O)C=C1N B037986 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 B013955 [0,0,0,0,0,0|0,3,0]=3 4 B9R1.23 CC1=C(Br)C=C(C=O)S1 B003571 [1,0,0,0,0,0|1,2,0]=4 5 B9R1.23 O=CC1=CC(Br)=C(Br)S1 B006821 [1,0,0,0,0,0|0,3,0]=4 6 B9R1.35 CC(=O)C1=CC(Br)=CS1 B020506 [1,0,0,0,0,0|1,2,0]=4 7 B9R1.35 CC(=O)C1=CC=C(F)S1 B046183 [1,0,0,0,0,0|1,2,0]=4 8 B9R1.35 CC1=CC(C(=O)O)=CS1 B007488 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.35 CC1=CC(C(=O)O)=NN1 B000144 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.35 CC1=CC(C(=O)O)=NO1 B007473 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.35 CC1=NOC(C(=O)O)=C1 B028540 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.35 CN1C=CC(C(=O)O)=N1 B000139 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.35 CN1C=NC(C(=O)O)=C1 B049879 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.35 NC(=O)C1=CC=C(F)S1 B051305 [1,0,0,0,0,0|1,2,0]=4 15 B9R1.35 NC1=NNC(C(=O)O)=C1 B007338 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.35 NC1=NNC(C(=O)O)=C1 B015878 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.35 O=C(Cl)C1=CC=C(F)S1 B051304 [1,0,0,0,0,0|1,2,0]=4 18 B9R1.35 O=C(O)C1=CC(Br)=CS1 B013954 [1,0,0,0,0,0|0,2,0]=3 19 B9R1.35 O=C(O)C1=CC=C(F)S1 B029946 [1,0,0,0,0,0|0,2,0]=3 20 B9R1.35 O=C1C=C(C(=O)O)NN1 B050600 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.48 CCC1=C(Br)C=C(C(=O)O)S1 B013956 [0,1,0,0,0,0|1,2,0]=4 22 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 B049542 [0,0,0,0,0,1|3,0,0]=4 23 B11R1.74 O=C1C=C(C(=O)O)NC(=S)N1 B049632 [0,0,0,0,0,1|3,0,0]=4 24 B11R1.80 CC1=NN(CC(=O)O)C=C1Cl B007139 [0,0,0,0,0,1|3,0,0]=4 25 B11R1.80 NC1=NN(CC(=O)O)C=C1Cl B019310 [0,0,0,0,0,1|3,0,0]=4 26 B11R1.80 NC1=NN(CC(=O)O)C=C1Cl B030003 [0,0,0,0,0,1|3,0,0]=4 27 B8R1.1 C(=O)C1=CC=C(F)S1 B039130 [2,0,0,0,0,0|0,2,0]=4 28 B8R1.1 CC1=CC=C(C=O)S1 B015983 [2,0,0,0,0,0|1,1,0]=4 29 B8R1.1 O=CC1=CC=C(Cl)S1 B022480 [2,0,0,0,0,0|0,1,0]=3 30 B8R1.1 O=CC1=CN=C(Cl)S1 B030507 [2,0,0,0,0,0|1,1,0]=4 31 B8R1.7 O=C(O)C1=CC=NS1 B049203 [2,0,0,0,0,0|1,1,0]=4 32 B8R1.7 O=C(O)C1=NNC=C1 B000140 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.14 COC(=O)C1=CC(C)=NO1 B038460 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.14 COC(=O)C1=CC=C(F)S1 B052513 [1,1,0,0,0,0|0,2,0]=4 35 B10R1.31 CCC1=CC=C(C(=O)O)S1 B000094 [1,1,0,0,0,0|1,1,0]=4 36 B10R1.31 CCC1=NOC(C(=O)O)=C1 B036531 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.194 CC1=NOC(C(=O)O)=C1C B036561 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.367 NNC(=O)C1=CC=C(Cl)C(Cl)=C1 B018465 [0,1,0,0,0,1|2,0,0]=4 39 B12R1.1005 NC1=CC(C(=O)O)=CC(N)=C1Cl B049388 [0,1,0,0,0,1|2,0,0]=4 40 B12R1.358 COC(=O)C1=CC(Cl)=NC(Cl)=C1 B049563 [0,1,0,0,0,1|1,0,0]=3 41 B12R1.68 CC(=O)C1=CC(CCl)=C(CCl)S1 B050314 [0,2,0,0,0,0|1,1,0]=4 42 B10R1.54 O=C(O)CC1=CC=C(F)S1 B052453 [1,0,0,0,0,1|0,2,0]=4 43 B10R1.54 O=C(O)CN1C=C(Cl)C=N1 B020509 [1,0,0,0,0,1|2,0,0]=4