0 B10R1.39 CCN1N=CC=C1C(=O)O BB01-4865 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.39 CCN1N=CC=C1C(=O)O BB05-0011 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.41 CC1=C(C(=O)O)C=CO1 BB57-4813 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.41 CC1=C(C(=O)O)SC=C1 BB01-0916 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.41 CN1C=CC=C1C(=O)O BB01-1072 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.41 CN1C=CN=C1C(=O)O BB57-7197 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.41 CN1C=NC=C1C(=O)O BB55-8119 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.41 CN1N=CC=C1C(=O)O BB01-4745 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.41 CN1N=CC=C1C(=O)O BB05-0013 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.49 CCN1N=C(C)C=C1C(=O)O BB05-3623 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.49 CCN1N=C(C)C=C1C(=O)O BB58-2165 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.59 CCN1N=CC=C1C(=O)OC BB05-4850 [0,1,0,0,0,0|1,0,0]=2 12 B11R1.193 CCCN1N=CC=C1C(=O)O BB05-2166 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.193 CCCN1N=CC=C1C(=O)O BB55-6336 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.471 CCN1N=CC(Br)=C1C(=O)O BB05-0021 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.471 CCN1N=CC(Cl)=C1C(=O)O BB05-0023 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.53 CNC1=C(C(=O)O)C=CC=C1 BB17-0631 [0,0,0,0,0,1|3,0,0]=4 17 B11R1.53 CSC1=C(C(=O)O)C=CC=N1 BB01-5972 [0,0,0,0,0,1|3,0,0]=4 18 B11R1.53 CSC1=CC=CC=C1C(=O)O BB57-4640 [0,0,0,0,0,1|3,0,0]=4 19 B11R1.266 CC(=O)C1=CC=CC(C#N)=C1 BB01-7824 [0,0,0,0,0,1|2,0,1]=4 20 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 BB01-6346 [0,0,0,0,0,1|3,0,0]=4 21 B8R1.11 CC1=C(C=O)SC=C1 BB01-6101 [2,0,0,0,0,0|2,0,0]=4 22 B8R1.11 CN1C=CC=C1C=O BB17-2275 [2,0,0,0,0,0|0,0,0]=2 23 B8R1.11 CN1C=CN=C1C=O BB05-4354 [2,0,0,0,0,0|1,0,0]=3 24 B8R1.7 CC(=O)C1=CSC=C1 BB57-0215 [2,0,0,0,0,0|2,0,0]=4 25 B8R1.7 NC(=O)C1=CC=CS1 BB01-2734 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.59 CC1=NN(C)C(C(=O)Cl)=C1 BB58-4410 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.149 COC(=O)C1=CC=NN1C BB05-1631 [1,1,0,0,0,0|1,0,0]=3 28 B10R1.192 CN1N=CC(Br)=C1C(=O)O BB05-0007 [1,1,0,0,0,0|2,0,0]=4 29 B12R1.77 CNC(=O)C1=C(CO)C=CC=C1 BB57-5079 [0,1,0,0,0,1|2,0,0]=4 30 B12R1.77 COC(=O)C1=C(SC)C=CC=C1 BB57-5352 [0,1,0,0,0,1|2,0,0]=4 31 B12R1.283 CCOC1=CC=CC=C1C(C)=O BB55-2313 [0,1,0,0,0,1|1,0,0]=3 32 B12R1.283 CCSC1=C(C(=O)O)C=CC=C1 BB55-4655 [0,1,0,0,0,1|2,0,0]=4 33 B12R1.279 CCOC1=CC(C(=O)O)=CC=C1 BB55-0500 [0,1,0,0,0,1|2,0,0]=4 34 B12R1.279 CCOC1=CC(C(C)=O)=CC=C1 BB55-2292 [0,1,0,0,0,1|1,0,0]=3 35 B12R1.435 COC(=O)C1=CC(CBr)=CC=C1 BB01-5010 [0,1,0,0,0,1|2,0,0]=4 36 B10R1.10 CCNC1=CC(C)=CC=C1 BB01-3257 [0,0,1,1,0,0|1,0,0]=3 37 B10R1.10 CCNC1=CC(Cl)=CC=C1 BB53-1759 [0,0,1,1,0,0|1,0,1]=4 38 B10R1.16 CCNCC1=CC=C(C)O1 BB55-8393 [0,0,1,1,0,0|0,0,2]=4 39 B10R1.4 CCNC1=C(F)C=CC=C1 BB01-8379 [0,0,1,1,0,0|1,0,1]=4 40 B12R2.1081 O=C1CCSC2=C1C=CC=C2 BB01-5930 [0,0,0,1,0,1|2,0,0]=4 41 B10R1.20 CCC1=C(NC)C=CC=C1 BB01-3189 [1,0,0,0,0,1|2,0,0]=4 42 B10R1.172 COC1=CC=CC(C=O)=N1 BB01-8348 [1,0,0,0,0,1|2,0,0]=4 43 B10R1.31 CCN1C=CC(C(=O)O)=N1 BB05-0010 [0,0,0,0,1,1|1,0,0]=3