0 B9R1.3 CC1=C(F)C(=S)NC=N1 F1903-0443 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.3 CC1=C(F)C(Br)=NC=N1 F1903-0402 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.3 CC1=C(F)C(N)=NC=N1 F1903-0439 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.3 CN1C=NC=C(O)C1=O F2147-2340 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.3 NC1=C(Br)C=NC=C1F F1913-3114 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.4 CC1=NC(S)=CC=N1 F8886-3811 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.2 C#CC1=CC=CC(Cl)=C1Cl F8885-7531 [0,1,0,0,0,0|2,0,1]=4 7 B10R1.2 CC1=C(Br)C=NC=C1CN F1957-0171 [0,1,0,0,0,0|3,0,0]=4 8 B10R1.2 CC1=C(C)C(CN)=NC=N1 F1967-2331 [0,1,0,0,0,0|3,0,0]=4 9 B10R1.2 CC1=C(C)C(CO)=NC=N1 F1904-2058 [0,1,0,0,0,0|3,0,0]=4 10 B10R1.2 CC1=C(F)C(CN)=NC=N1 F1903-0422 [0,1,0,0,0,0|3,0,0]=4 11 B10R1.2 CC1=C(F)C(CO)=NC=N1 F1904-2095 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.2 CCN1C=CC=C(Br)C1=O F2197-1504 [0,1,0,0,0,0|2,0,1]=4 13 B10R1.2 CCN1C=CC=C(N)C1=O F2197-1514 [0,1,0,0,0,0|2,0,1]=4 14 B10R1.2 CN1C=CC=C(CCl)C1=O F2147-5261 [0,1,0,0,0,0|1,0,1]=3 15 B10R1.2 CN1C=CC=C(CN)C1=O F2197-1498 [0,1,0,0,0,0|1,0,1]=3 16 B10R1.2 N#CC1=C(N)C(O)=CC=C1 F2147-0182 [0,1,0,0,0,0|2,0,1]=4 17 B10R1.22 CC1=CC(C)=C(N)C(=O)N1 F2113-0156 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.22 CC1=NC(C)=C(N)C(N)=C1 F8881-6182 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.22 CN1C=C(Cl)C=C(Br)C1=O F2197-1496 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.119 CC1=C(Cl)C(C)=C(N)C=N1 F1957-0013 [0,1,0,0,0,0|2,0,0]=3 21 B10R1.245 C#CC1=C(Cl)C=CC=C1Cl F2147-2797 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.245 OCC1=C(F)C=NC=C1F F1910-8473 [0,1,0,0,0,0|3,0,0]=4 23 B8R1.50 CC1=CC=C(C)N1N F9994-0002 [0,0,0,0,1,0|2,0,0]=3 24 B7R0.4 C\C=C\C=C/C(=O)O F2191-0241 [1,0,1,0,0,0|1,0,0]=3 25 B9R1.2 CC1=CC(CN)=NC=N1 F1967-2329 [1,1,0,0,0,0|2,0,0]=4 26 B9R1.2 CC1=NC=NC(CO)=C1 F8880-6875 [1,1,0,0,0,0|2,0,0]=4 27 B9R1.2 CNC1=CC(F)=NC=C1 F1911-5600 [1,1,0,0,0,0|2,0,0]=4 28 B9R1.2 CNC1=NC=NC(C)=C1 F0261-0021 [1,1,0,0,0,0|2,0,0]=4 29 B9R1.34 CC1=NC(C)=NC(Br)=C1 F8881-5018 [1,1,0,0,0,0|2,0,0]=4 30 B9R1.15 C#CC1=C(C)C=NC=C1 F2197-7936 [1,1,0,0,0,0|2,0,0]=4 31 B9R1.15 C#CC1=CC=CN=C1O F2147-2844 [1,1,0,0,0,0|1,0,1]=4 32 B9R1.15 CC1=CN=CN=C1CO F1904-2108 [1,1,0,0,0,0|2,0,0]=4 33 B9R1.15 CNC1=NC=NC=C1O F2147-2344 [1,1,0,0,0,0|2,0,0]=4 34 B9R1.15 NC1=C(CBr)C=CC=N1 F8888-7971 [1,1,0,0,0,0|2,0,0]=4 35 B9R1.15 NC1=CC=CN=C1CF F2147-5474 [1,1,0,0,0,0|2,0,0]=4 36 B9R1.15 NCC1=CC=NC=C1O F2147-2141 [1,1,0,0,0,0|1,0,0]=3 37 B11R1.13 C#CCN1C=CC=C(C)C1=O F2197-1485 [0,2,0,0,0,0|1,0,1]=4 38 B11R1.13 C=CCN1C=CC=C(C)C1=O F2197-1476 [0,2,0,0,0,0|1,0,1]=4 39 B11R1.13 CC1=CC=CN(CCN)C1=O F2197-1467 [0,2,0,0,0,0|1,0,1]=4 40 B11R1.159 CC1=C(S)C(C(=O)O)=CC=C1 F1904-0032 [0,2,0,0,0,0|0,1,1]=4 41 B11R1.265 OCC1=CC=CC(O)=C1CO F2147-8421 [0,2,0,0,0,0|1,0,0]=3 42 B11R1.267 CCN1C=CC=C(CCl)C1=O F2147-5337 [0,2,0,0,0,0|1,0,1]=4 43 B11R1.267 CCN1C=CC=C(CN)C1=O F8888-4462 [0,2,0,0,0,0|1,0,1]=4 44 B11R1.267 COC1=C(C)C(CN)=CN=C1 F1957-0172 [0,2,0,0,0,0|2,0,0]=4 45 B11R1.267 COC1=CC=CC(CN)=C1O F1913-6379 [0,2,0,0,0,0|0,0,0]=2 46 B11R1.605 CC1=CC=CC(Cl)=C1N=[N+]=[N-] F2157-0505 [0,2,0,0,0,0|2,0,0]=4 47 B11R2.106 OC1=C2CCOC2=CC=C1 F2147-8781 [0,1,0,1,0,0|2,0,0]=4 48 B11R2.106 SC1=C2OC=CC2=CC=C1 F1913-5806 [0,1,0,1,0,0|1,0,1]=4 49 B11R2.106 SC1=CC=CC2=C1CCC2 F1913-5813 [0,1,0,1,0,0|2,0,0]=4