0 B8R1.5 CC1=C(Br)C=CC=N1 NP43686 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.5 CC1=C(N)C=CC=N1 NP43763 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.5 CC1=CC=CNC1=O CD09405 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.5 FC1=NC=CC=C1I MO00359 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.3 NC1=NC=CN=N1 AC14623 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.3 CC1=C(O)N=CN=C1Cl MAY00120 [0,1,0,0,0,0|3,0,0]=4 6 B9R1.3 CC1=CC=CC(C)=C1F CD05584 [0,1,0,0,0,0|3,0,0]=4 7 B9R1.3 CC1=CC=CC(N)=C1N BTB07447 [0,1,0,0,0,0|3,0,0]=4 8 B9R1.15 COC1=CC=CN=C1Br NP43815 [0,1,0,0,0,0|2,0,0]=3 9 B9R1.15 COC1=CC=CN=C1N NP45374 [0,1,0,0,0,0|2,0,0]=3 10 B9R1.15 COC1=NC=CC=C1N SPB07839 [0,1,0,0,0,0|2,0,0]=3 11 B9R1.15 N#CC1=NC=CC=C1F MO07483 [0,1,0,0,0,0|2,0,1]=4 12 B9R1.15 N#CC1=NC=CN=C1Cl KM04911 [0,1,0,0,0,0|1,0,1]=3 13 B9R1.15 O=CC1=NC=CC=C1F CC30904 [0,1,0,0,0,0|2,0,1]=4 14 B9R1.69 CC1=C(N)N=CC(Br)=C1 XBX00112 [0,1,0,0,0,0|2,0,0]=3 15 B9R1.69 CC1=CC(Br)=C(Cl)N=C1 MO07184 [0,1,0,0,0,0|3,0,0]=4 16 B9R1.69 CC1=CC(Br)=C(N)N=C1 XBX00111 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.69 CC1=CC=C(O)C(C)=N1 RH01494 [0,1,0,0,0,0|2,0,0]=3 18 B9R1.69 CC1=CN=C(Cl)C(C)=N1 MO08011 [0,1,0,0,0,0|1,0,0]=2 19 B9R1.69 CC1=CN=C(N)C(C)=N1 BTB07911 [0,1,0,0,0,0|1,0,0]=2 20 B9R1.69 CC1=NC(N)=CC=C1Br XBX00110 [0,1,0,0,0,0|2,0,0]=3 21 B9R1.69 NC1=CC(Cl)=CN=C1Cl SPB06843 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.69 NC1=CC=C(Cl)N=C1Cl RF05052 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.69 NC1=NC=C(Br)C=C1Br BTB07310 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.69 NC1=NC=C(Br)N=C1N MAY00135 [0,1,0,0,0,0|2,0,0]=3 25 B7R1.4 CC1=C(I)C=NO1 CC26311 [0,0,0,0,1,0|3,0,0]=4 26 B7R1.4 CN1N=CC=C1I CC62311 [0,0,0,0,1,0|2,0,0]=3 27 B7R1.4 CN1N=CC=C1N GK03066 [0,0,0,0,1,0|2,0,0]=3 28 B7R1.4 ClC1=C(Br)C=CS1 AC25875 [0,0,0,0,1,0|3,0,0]=4 29 B8R1.2 ClCC1=NC=CC=N1 MAY00188 [1,1,0,0,0,0|2,0,0]=4 30 B8R1.2 OCC1=NC=CN=C1 CC03409 [1,1,0,0,0,0|0,0,0]=2 31 B8R1.3 CC1=CN=C(N)C=N1 MO08458 [1,1,0,0,0,0|0,0,0]=2 32 B8R1.3 CC1=CN=C(O)C=C1 AC35768 [1,1,0,0,0,0|1,0,0]=3 33 B8R1.3 CC1=NNC(=O)C=C1 BTB06840 [1,1,0,0,0,0|2,0,0]=4 34 B8R1.3 NC1=NC=C(Br)N=C1 MO00943 [1,1,0,0,0,0|1,0,0]=3 35 B8R1.4 BrC1=CC=CC(Br)=N1 SB01233 [1,1,0,0,0,0|2,0,0]=4 36 B8R1.4 CC1=CC(Cl)=NC=N1 NP45412 [1,1,0,0,0,0|2,0,0]=4 37 B8R1.4 CC1=CN=CC(Cl)=N1 MO07699 [1,1,0,0,0,0|0,0,0]=2 38 B8R1.4 FC1=NC=CC(I)=C1 MO07994 [1,1,0,0,0,0|2,0,0]=4 39 B8R1.4 NC1=CC=NC(Br)=C1 NP43741 [1,1,0,0,0,0|2,0,0]=4 40 B8R1.4 NC1=CC=NC(O)=C1 NP43208 [1,1,0,0,0,0|2,0,0]=4 41 B8R1.4 OC1=CC(Br)=CC=N1 NP43209 [1,1,0,0,0,0|2,0,0]=4 42 B8R1.4 OC1=CC(Cl)=CN=C1 SB00891 [1,1,0,0,0,0|2,0,0]=4 43 B8R1.11 CC1=C(C=O)C=CO1 CC55404 [0,1,0,0,1,0|1,0,1]=4 44 B8R1.11 CC1=C(C=O)NC=N1 SB01366 [0,1,0,0,1,0|0,0,2]=4 45 B8R1.11 CC1=C(C=O)SC=N1 NP42997 [0,1,0,0,1,0|1,0,1]=4 46 B8R1.11 CC1=C(CN)OC=C1 CC55513 [0,1,0,0,1,0|1,0,0]=3 47 B8R1.11 CC1=C(CO)C=CO1 CD10514 [0,1,0,0,1,0|1,0,0]=3 48 B8R1.11 CN1C=CC=C1CN CC02713 [0,1,0,0,1,0|2,0,0]=4 49 B8R1.11 CN1C=CN=C1CO CC20809 [0,1,0,0,1,0|1,0,0]=3 50 B8R1.11 CN1N=CC=C1C=O CC62304 [0,1,0,0,1,0|1,0,1]=4 51 B8R1.11 CN1N=CC=C1CO CC62309 [0,1,0,0,1,0|1,0,0]=3 52 B8R1.11 NCC1=C(Br)SC=C1 SPB08448 [0,1,0,0,1,0|2,0,0]=4 53 B8R1.18 CC1=NC(C)=C(Br)S1 CC05810 [0,1,0,0,1,0|2,0,0]=4 54 B8R1.18 CC1=NN(C)C(N)=C1 KM00001 [0,1,0,0,1,0|2,0,0]=4 55 B8R1.50 CC1=NC=C(Br)N1C CC25110 [0,1,0,0,1,0|1,0,0]=3 56 B8R1.50 CC1=NNC(N)=C1Br KM01090 [0,1,0,0,1,0|2,0,0]=4 57 B8R1.50 CC1=NOC(C)=C1Br CC00610 [0,1,0,0,1,0|2,0,0]=4 58 B8R1.50 CC1=NOC(N)=C1C SB00914 [0,1,0,0,1,0|1,0,0]=3 59 B10R1.4 CNCC1=NC=CC=C1F CC30946 [0,2,0,0,0,0|2,0,0]=4 60 B10R1.20 CSC1=C(CN)C=CC=C1 KM09736 [0,2,0,0,0,0|2,0,0]=4 61 B10R1.61 CC(=O)C1=C(C)N=CC=N1 SB01015 [0,2,0,0,0,0|0,0,0]=2 62 B10R1.61 CC1=C(B(O)O)C=CC=N1 NP43039 [0,2,0,0,0,0|2,0,0]=4 63 B10R1.61 CC1=C(C(=O)O)C=CC=N1 NP39732 [0,2,0,0,0,0|1,0,1]=4 64 B10R1.118 CC1=NC(Cl)=C(Br)C=C1Br MAY00204 [0,2,0,0,0,0|2,0,0]=4 65 B8R1.1 CC1=CSC(C=O)=N1 NP42935 [0,0,1,1,0,0|2,0,0]=4 66 B6R1.2 BrC1=CC=CO1 CC02010 [1,0,0,0,1,0|2,0,0]=4 67 B6R1.2 ClC1=NC=CS1 MO07794 [1,0,0,0,1,0|2,0,0]=4 68 B6R1.2 IC1=NNC=C1 NP44481 [1,0,0,0,1,0|2,0,0]=4 69 B6R1.2 NC1=NC=NS1 MO09049 [1,0,0,0,1,0|2,0,0]=4 70 B6R1.2 SC1=NNC=N1 SB00858 [1,0,0,0,1,0|2,0,0]=4