0 B12R2.246 CC1=C2C=CNC2=NC(Cl)=N1 93472 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.246 CC1=CC2=C(C=CN2)C(Br)=N1 88941 [0,0,0,0,0,0|4,0,0]=4 2 B12R2.246 CC1=CC2=C(C=CN2)C(O)=N1 88940 [0,0,0,0,0,0|3,0,0]=3 3 B12R2.246 ClC1=C2N=CNC2=NC(Br)=N1 C90301 [0,0,0,0,0,0|4,0,0]=4 4 B12R2.246 ClC1=C2N=CNC2=NC(I)=N1 F30526 [0,0,0,0,0,0|4,0,0]=4 5 B12R2.246 NC1=C2C=CNC2=NC(S)=N1 51144 [0,0,0,0,0,0|2,1,0]=3 6 B12R2.246 NC1=C2C=NNC2=CC(I)=C1 P10505 [0,0,0,0,0,0|4,0,0]=4 7 B12R2.246 NC1=CC(Br)=C2N=NNC2=N1 C91485 [0,0,0,0,0,0|4,0,0]=4 8 B12R2.246 NC1=NC(=O)C2=C(NN=C2)N1 BL006452 [0,0,0,0,0,0|1,0,2]=3 9 B12R2.246 NC1=NC(N)=C2C=CNC2=N1 D73407 [0,0,0,0,0,0|3,0,0]=3 10 B12R2.246 NC1=NC(O)=C2SC=CC2=N1 57699 [0,0,0,0,0,0|4,0,0]=4 11 B12R2.246 NC1=NC2=C(C=NN2)C(O)=N1 E10288 [0,0,0,0,0,0|1,0,0]=1 12 B12R2.246 O=C1N=C(Cl)NC2=C1C=NN2 AC6129 [0,0,0,0,0,0|1,0,2]=3 13 B12R2.246 OC1=C2C=NOC2=CC(Br)=C1 93711 [0,0,0,0,0,0|4,0,0]=4 14 B12R2.246 OC1=NC(O)=C2OC=CC2=N1 59871 [0,0,0,0,0,0|3,0,0]=3 15 B12R2.246 OC1=NC(O)=C2SC=NC2=N1 O12149 [0,0,0,0,0,0|2,0,1]=3 16 B12R2.246 OC1=NC(O)=C2SCCC2=N1 50638 [0,0,0,0,0,0|3,0,0]=3 17 B11R2.36 CC1=NC2=C(C=NN2)C=N1 C11504 [1,0,0,0,0,0|1,0,0]=2 18 B11R2.36 IC1=NC2=C(C=CN2)C=C1 68997 [1,0,0,0,0,0|3,0,0]=4 19 B11R2.36 NC1=NC2=C(C=CN2)C=C1 30500 [1,0,0,0,0,0|3,0,0]=4 20 B11R2.36 O=C1N=CC2=C(NC=C2)N1 D73411 [1,0,0,0,0,0|1,0,2]=4 21 B11R2.106 CC1=NC=NC2=C1N=CN2 O11610 [1,0,0,0,0,0|3,0,0]=4 22 B11R2.106 ClC1=NC=NC2=C1NN=C2 AT12419 [1,0,0,0,0,0|3,0,0]=4 23 B11R2.106 NC1=NC=NC2=C1CCN2 C16504 [1,0,0,0,0,0|2,0,1]=4 24 B11R2.106 NC1=NC=NC2=C1N=NN2 W18787 [1,0,0,0,0,0|2,0,0]=3 25 B11R2.106 OC1=C2C=NNC2=NC=C1 P10699 [1,0,0,0,0,0|1,0,0]=2 26 B11R2.106 OC1=C2OC=CC2=NC=N1 71918 [1,0,0,0,0,0|3,0,0]=4 27 B11R2.106 OC1=NC=CC2=C1C=CN2 F30254 [1,0,0,0,0,0|2,0,0]=3 28 B13R2.623 COC1=C2C=CNC2=CC(Br)=N1 I10791 [0,1,0,0,0,0|3,0,0]=4 29 B13R2.623 COC1=C2C=CNC2=NC(N)=C1 I10841 [0,1,0,0,0,0|3,0,0]=4 30 B13R2.623 COC1=C2C=NNC2=CC(C)=C1 I11262 [0,1,0,0,0,0|3,0,0]=4 31 B13R2.654 COC1=CC(N)=C2C=NNC2=C1 I11323 [0,1,0,0,0,0|3,0,0]=4 32 B13R2.654 OCC1=CC(O)=C2C=CNC2=C1 F18067 [0,1,0,0,0,0|3,0,0]=4 33 B13R2.3742 CC1=CSC2=C(O)N=C(O)N=C12 F30745 [0,1,0,0,0,0|3,0,0]=4 34 B13R2.3742 CC1=NC2=C(C=NN2C)C(=O)N1 95089 [0,1,0,0,0,0|1,0,2]=4 35 B13R2.3742 CN1N=CC2=C1NC(=O)C=C2O 89630 [0,1,0,0,0,0|1,0,2]=4 36 B13R2.5397 CC1=CC2=C(N=C(C)N=C2Cl)N1 P16586 [0,1,0,0,0,0|3,0,0]=4 37 B13R2.5397 CC1=CC2=C(O)N=C(C)N=C2S1 C90625 [0,1,0,0,0,0|3,0,0]=4 38 B13R2.5397 ClC1=NC2=C(C=C(I)N2)C(Cl)=N1 P14423 [0,1,0,0,0,0|3,0,0]=4 39 B13R2.11642 CC1=NC(Cl)=C2C(Br)=NNC2=N1 O10959 [0,1,0,0,0,0|2,0,0]=3 40 B13R2.11642 CC1=NC(N)=C2C(Br)=NNC2=N1 97110 [0,1,0,0,0,0|2,0,0]=3 41 B13R2.11642 CC1=NC(N)=C2C(I)=NNC2=N1 O11021 [0,1,0,0,0,0|2,0,0]=3 42 B13R2.11642 NC1=C2C(I)=CNC2=NC(Cl)=N1 W16370 [0,1,0,0,0,0|3,0,0]=4 43 B13R2.11642 NC1=NC(Cl)=C2C(Br)=CNC2=N1 AB10339 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.34 CCNC1=NC(O)=NC(O)=N1 AC2108 [0,0,1,0,0,0|2,0,1]=4 45 B11R1.81 O\N=C\C1=C(O)C=C(O)C=C1 S11928 [0,0,1,0,0,0|3,0,0]=4 46 B13R2.328 OC1=CC2=NC=CC=C2C(O)=N1 F15898 [0,0,0,0,0,1|2,0,1]=4 47 B13R2.328 OC1=NC(O)=C2CCCNC2=N1 72549 [0,0,0,0,0,1|1,0,1]=3 48 B13R2.328 OC1=NC(O)=C2CNCCC2=N1 CS2820 [0,0,0,0,0,1|1,0,2]=4 49 B13R2.328 OC1=NC(O)=C2CSCCC2=N1 81091 [0,0,0,0,0,1|2,0,1]=4 50 B13R2.328 OC1=NC2=CN=CC=C2C(O)=N1 51449 [0,0,0,0,0,1|1,0,0]=2 51 B10R1.22 NC1=NC(N)=C(N)C(O)=N1 F16067 [1,0,1,0,0,0|1,0,1]=4 52 B10R1.66 O=C(O)\C=C\C1=CNN=C1 28276 [1,0,1,0,0,0|2,0,0]=4 53 B10R1.1 N\N=C\C1=CC=C(O)C=C1 F15571 [1,0,1,0,0,0|2,0,0]=4 54 B10R2.7 C1=NC=C2CCNC2=N1 93647 [2,0,0,0,0,0|1,0,1]=4 55 B10R2.7 C1=NC=C2CCNC2=N1 C90715 [2,0,0,0,0,0|1,0,1]=4 56 B12R2.44 COC1=NC2=C(C=NN2)C=N1 97032 [1,1,0,0,0,0|0,0,0]=2 57 B12R2.44 N#CC1=NC2=C(C=CN2)C=N1 P14387 [1,1,0,0,0,0|2,0,0]=4 58 B12R2.44 NNC1=NC2=C(C=C1)C=NN2 F17824 [1,1,0,0,0,0|2,0,0]=4 59 B12R2.82 NC1=C(O)C=CC2=C1NN=C2 93536 [1,1,0,0,0,0|2,0,0]=4 60 B12R2.82 OC1=C(Br)C2=C(C=C1)C=NN2 F18014 [1,1,0,0,0,0|2,0,0]=4 61 B12R2.82 OC1=C(Cl)C2=C(C=C1)C=NN2 C16254 [1,1,0,0,0,0|2,0,0]=4 62 B12R2.100 OC1=C(Cl)C=C2C=NNC2=C1 97038 [1,1,0,0,0,0|2,0,0]=4 63 B12R2.132 CN1C=CC2=C1N=C(N)N=C2 P14408 [1,1,0,0,0,0|2,0,0]=4 64 B12R2.606 CC1=CC2=CN=C(O)C=C2N1 C14303 [1,1,0,0,0,0|2,0,0]=4 65 B12R2.606 NC1=NC2=C(C=N1)C=C(I)N2 P14412 [1,1,0,0,0,0|2,0,0]=4 66 B12R2.612 ClC1=NC2=C(C=N1)C(I)=NN2 C72567 [1,1,0,0,0,0|1,0,0]=3 67 B12R2.196 CN1N=CC2=C(I)C=CN=C21 C91550 [1,1,0,0,0,0|2,0,0]=4 68 B12R2.196 CN1N=CC2=C1N=CN=C2Br P11184 [1,1,0,0,0,0|1,0,0]=3 69 B12R2.196 CN1N=CC2=C1N=CN=C2N BL003935 [1,1,0,0,0,0|1,0,0]=3 70 B12R2.196 CN1N=NC2=C1N=CN=C2Cl 26725 [1,1,0,0,0,0|2,0,0]=4 71 B12R2.202 CC1=CC2=C(N=CN=C2N)N1 P10669 [1,1,0,0,0,0|2,0,0]=4 72 B12R2.202 ClC1=CC2=C(N=CN=C2Cl)N1 AC8736 [1,1,0,0,0,0|2,0,0]=4 73 B12R2.203 CC1=C2C(N)=NNC2=NC=C1 51575 [1,1,0,0,0,0|2,0,0]=4 74 B12R2.203 CC1=NNC2=CC=CC(O)=C21 F17559 [1,1,0,0,0,0|2,0,0]=4 75 B12R2.203 CC1=NNC2=NC=CC(Cl)=C12 O11214 [1,1,0,0,0,0|2,0,0]=4 76 B12R2.203 NC1=NNC2=C1C(Br)=NC=C2 90733 [1,1,0,0,0,0|2,0,0]=4 77 B12R2.203 NC1=NNC2=NC=CC(Cl)=C12 F18588 [1,1,0,0,0,0|2,0,0]=4 78 B12R2.203 OC1=C2C(Br)=CSC2=NC=N1 W13342 [1,1,0,0,0,0|2,0,0]=4 79 B12R2.221 CC1=CN=C(Cl)C2=C1NN=C2 F18614 [1,1,0,0,0,0|2,0,0]=4 80 B12R2.315 N#CC1=C2C=NNC2=NC=C1 F18447 [1,1,0,0,0,0|2,0,0]=4 81 B12R2.315 NCC1=C2C=NNC2=NC=C1 F17799 [1,1,0,0,0,0|2,0,0]=4 82 B12R2.315 NNC1=C2C=NNC2=NC=C1 F18135 [1,1,0,0,0,0|2,0,0]=4 83 B14R2.28480 OC1=NC(O)=C2C(I)=CC=CC2=N1 F15664 [0,1,0,0,0,1|2,0,0]=4 84 B14R2.628 O=C(O)C1=CC(Cl)=NC2=C1C=NN2 E71172 [0,2,0,0,0,0|2,0,0]=4 85 B14R2.25595 CC1=NC(N)=C2C(Br)=NN(C)C2=N1 97111 [0,2,0,0,0,0|2,0,0]=4 86 B14R2.25595 CC1=NC2=C(C(C)=NN2C)C(Cl)=N1 95092 [0,2,0,0,0,0|2,0,0]=4 87 B14R2.38331 CCC1=CC2=C(O)N=C(O)N=C2N1 F31280 [0,2,0,0,0,0|1,0,0]=3