0 B9R1.15 COC1=CC=CN=C1Br NP43815 [0,0,0,0,0,0|2,1,0]=3 1 B9R1.15 COC1=CC=CN=C1N NP45374 [0,0,0,0,0,0|2,1,0]=3 2 B9R1.15 COC1=NC=CC=C1N SPB07839 [0,0,0,0,0,0|2,1,0]=3 3 B9R1.15 N#CC1=NC=CC=C1F MO07483 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.15 N#CC1=NC=CN=C1Cl KM04911 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.15 O=CC1=NC=CC=C1F CC30904 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.2 OCC1=NC=CN=C1 CC03409 [1,0,0,0,0,0|2,0,0]=3 7 B8R1.5 CC1=C(Br)C=CC=N1 NP43686 [1,0,0,0,0,0|2,0,0]=3 8 B8R1.5 CC1=C(N)C=CC=N1 NP43763 [1,0,0,0,0,0|2,0,0]=3 9 B8R1.5 CC1=CC=CNC1=O CD09405 [1,0,0,0,0,0|1,1,1]=4 10 B8R1.5 FC1=NC=CC=C1I MO00359 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.4 CNCC1=NC=CC=C1F CC30946 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.20 CSC1=C(CN)C=CC=C1 KM09736 [0,1,0,0,0,0|2,0,0]=3 13 B10R1.25 CSC1=C(N)C=C(Cl)C=C1 CD05201 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.61 CC(=O)C1=C(C)N=CC=N1 SB01015 [0,1,0,0,0,0|1,0,0]=2 15 B10R1.61 CC1=C(B(O)O)C=CC=N1 NP43039 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.61 CC1=C(C(=O)O)C=CC=N1 NP39732 [0,1,0,0,0,0|3,0,0]=4 17 B8R1.11 CC1=C(C=O)C=CO1 CC55404 [0,0,0,0,1,0|3,0,0]=4 18 B8R1.11 CC1=C(C=O)NC=N1 SB01366 [0,0,0,0,1,0|2,0,1]=4 19 B8R1.11 CC1=C(C=O)SC=N1 NP42997 [0,0,0,0,1,0|3,0,0]=4 20 B8R1.11 CC1=C(CN)OC=C1 CC55513 [0,0,0,0,1,0|3,0,0]=4 21 B8R1.11 CC1=C(CO)C=CO1 CD10514 [0,0,0,0,1,0|3,0,0]=4 22 B8R1.11 CN1C=CN=C1CO CC20809 [0,0,0,0,1,0|3,0,0]=4 23 B8R1.11 CN1N=CC=C1C=O CC62304 [0,0,0,0,1,0|3,0,0]=4 24 B8R1.11 CN1N=CC=C1CO CC62309 [0,0,0,0,1,0|3,0,0]=4 25 B7R1.3 NC1=NC=CN=N1 AC14623 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.1 COC1=CC=C(I)C=N1 NP43893 [1,1,0,0,0,0|1,1,0]=4 27 B9R1.2 COC1=CC=CC(N)=N1 MO08464 [1,1,0,0,0,0|1,1,0]=4 28 B9R1.6 O=C(Cl)C1=NC=CN=C1 CC03402 [1,1,0,0,0,0|2,0,0]=4 29 B9R1.8 CNCC1=CC=CN=C1 TL00368 [1,1,0,0,0,0|2,0,0]=4 30 B9R1.8 OCCC1=CC=CN=C1 KM09875 [1,1,0,0,0,0|2,0,0]=4 31 B9R1.69 CC1=C(N)N=CC(Br)=C1 XBX00112 [1,1,0,0,0,0|2,0,0]=4 32 B9R1.69 CC1=CC=C(O)C(C)=N1 RH01494 [1,1,0,0,0,0|1,1,0]=4 33 B9R1.69 CC1=CN=C(Cl)C(C)=N1 MO08011 [1,1,0,0,0,0|1,0,0]=3 34 B9R1.69 CC1=CN=C(N)C(C)=N1 BTB07911 [1,1,0,0,0,0|1,0,0]=3 35 B9R1.69 CC1=NC(N)=CC=C1Br XBX00110 [1,1,0,0,0,0|2,0,0]=4 36 B9R1.69 NC1=NC=C(Br)N=C1N MAY00135 [1,1,0,0,0,0|2,0,0]=4 37 B9R1.14 CCN1N=CN=C1CO MO08364 [0,1,0,0,1,0|2,0,0]=4 38 B9R1.14 COC1=C(CN)SC=C1 CC68613 [0,1,0,0,1,0|1,1,0]=4 39 B9R1.33 CNCC1=C(C)C=CO1 CC55546 [0,1,0,0,1,0|2,0,0]=4 40 B9R1.33 CNCC1=C(C)OC=C1 CC55446 [0,1,0,0,1,0|2,0,0]=4 41 B9R1.33 CNCC1=CC=NN1C CC62346 [0,1,0,0,1,0|2,0,0]=4 42 B11R1.53 CSC1=NC=CC=C1C(=O)O BTB06287 [0,2,0,0,0,0|1,0,1]=4 43 B11R2.20 C1=CC2=C(N=C1)NCCO2 CC60830 [0,1,0,1,0,0|1,1,0]=4 44 B11R2.1 NC1=CSC2=NC=CN=C12 MO07822 [0,1,0,1,0,0|0,0,2]=4 45 B7R1.4 CN1N=CC=C1I CC62311 [1,0,0,0,1,0|2,0,0]=4 46 B7R1.4 CN1N=CC=C1N GK03066 [1,0,0,0,1,0|2,0,0]=4