0 B10R1.39 C=CN1C=CC=C1C(=O)O 1021AE [0,0,0,0,0,0|1,0,2]=3 1 B10R1.39 CSC1=C(C(=O)O)C=CS1 Z0803 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.14 CCC1=NNC=C1C=O Y5289 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.14 CSC1=C(C=O)C=CS1 Z0839 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.41 CC(=O)C1=C(Cl)C=CS1 4837AC [1,0,0,0,0,0|3,0,0]=4 5 B9R1.41 CC(=O)C1=CNN=C1C X5410 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.41 CN1C=CN=C1C(=N)N 9909AH [1,0,0,0,0,0|3,0,0]=4 7 B11R2.106 O=C1NCCC2=C1C=CN2 9640AH [0,0,0,1,0,0|3,0,0]=4 8 B11R2.202 NC1CC(=O)C2=C1C=CS2 8443AC [0,0,0,1,0,0|3,0,0]=4 9 B11R1.53 CNC1=CC=CC=C1C(=O)O 8074AF [0,0,0,0,0,1|3,0,0]=4 10 B11R1.53 CSC1=NC=CC=C1C(=O)O Y9981 [0,0,0,0,0,1|3,0,0]=4 11 B11R1.53 O=C(O)C1=C(CO)C=CN=C1 Y9926 [0,0,0,0,0,1|3,0,0]=4 12 B11R1.266 CCC1=CC=CC(C(N)=S)=C1 2270AJ [0,0,0,0,0,1|2,1,0]=4 13 B11R1.266 CCC1=NC=CC(C(C)=O)=C1 9484AL [0,0,0,0,0,1|2,0,0]=3 14 B11R1.266 NCC1=CC=CC(C(=O)O)=N1 8131AA [0,0,0,0,0,1|3,0,0]=4 15 B8R0.4 CCC\C=C\C=C\C=O R556 [1,0,1,0,0,0|1,0,0]=3 16 B8R0.4 CCC\C=C\C=C\C=O W5281 [1,0,1,0,0,0|1,0,0]=3 17 B8R1.7 CC(=O)C1=CC=NN1 9154AA [2,0,0,0,0,0|1,0,0]=3 18 B10R1.149 CN1C=CC=C1\C(N)=N/O 4328AE [1,1,0,0,0,0|1,0,1]=4 19 B12R1.46 CSC1=NC=C(F)C=C1C(C)=O Y5004 [0,1,0,0,0,1|2,0,0]=4 20 B12R1.261 CC(N)C1=C(C(=O)O)C=CC=C1 9994AH [0,1,0,0,0,1|2,0,0]=4 21 B12R1.283 CCSC1=C(C(=O)O)C=CC=N1 Y8538 [0,1,0,0,0,1|2,0,0]=4 22 B12R1.283 CCSC1=C(C(N)=O)C=CC=N1 Y7855 [0,1,0,0,0,1|2,0,0]=4 23 B12R1.283 NCCC1=CC=CC=C1C(=O)O 1770AC [0,1,0,0,0,1|2,0,0]=4 24 B12R1.56 COC1=C(N)C=CC(C(C)=O)=C1 7565AD [0,1,0,0,0,1|2,0,0]=4 25 B12R1.258 C[C@H](N)C1=CC=CC(C(=O)O)=C1 9144AH [0,1,0,0,0,1|2,0,0]=4 26 B12R1.279 CCOC1=CC=CC(C(=O)O)=N1 5938AB [0,1,0,0,0,1|2,0,0]=4 27 B12R1.279 CNCC1=CC=CC(C(=O)O)=C1 2350AJ [0,1,0,0,0,1|2,0,0]=4 28 B12R1.279 NCCC1=CC=CC(C(=O)O)=C1 1690AB [0,1,0,0,0,1|2,0,0]=4 29 B12R1.435 COC(=O)C1=CC=CC(CN)=C1 X2835 [0,1,0,0,0,1|2,0,0]=4 30 B12R1.609 CCN1N=C(C)C(C)=C1C(C)=O Y3037 [0,2,0,0,0,0|1,0,0]=3 31 B12R2.1081 O=C1CCCC2=C1C=NC=C2 1098AB [0,0,0,1,0,1|1,0,0]=3 32 B12R2.1081 O=C1CNCC2=C1C=CC=C2 1368AJ [0,0,0,1,0,1|2,0,0]=4 33 B12R2.229 O=C1NCCCN2C=CC=C12 9349AJ [0,1,0,1,0,0|0,0,0]=2 34 B12R2.229 O=C1NCCCN2N=CC=C12 9528AJ [0,1,0,1,0,0|1,0,0]=3 35 B10R1.20 CCC1=C(CC)C=CC=C1 1495AL [1,0,0,0,0,1|1,0,1]=4 36 B10R1.20 CSC1=CC=CC=C1C=O I066 [1,0,0,0,0,1|2,0,0]=4