0 B16R2.2822 CC1=CC(=NC(=C1)C)CC2=CC=CC=C2 PH007010 [0,0,0,0,0,0|2,0,0]=2 1 B16R2.2822 CC1=CC(=NC(=N1)Cl)SC2=CC=CC=C2 PH018071 [0,0,0,0,0,0|4,0,0]=4 2 B16R2.2822 CC1=CC(=NC(=N1)NC2=CC=CC=C2)Cl T141771 [0,0,0,0,0,0|1,0,0]=1 3 B16R2.2822 CC1=CC(=NC(=N1)SC2=CC=CC=C2)C L118451 [0,0,0,0,0,0|1,0,0]=1 4 B16R2.2822 CC1=CC(=O)NC(=N1)NC2=CC=CC=C2 R685666 [0,0,0,0,0,0|1,0,1]=2 5 B16R2.2822 CC1=NC(=NC(=C1)O)NC2=CC=CC=C2 S341320 [0,0,0,0,0,0|1,0,0]=1 6 B15R2.31 BrC1=CC=CC(=N1)OC2=CC=CC=C2 PH015520 [1,0,0,0,0,0|3,0,0]=4 7 B15R2.31 CC1=CC(=NC=N1)NC2=CC=CC=C2 T313785 [1,0,0,0,0,0|2,0,0]=3 8 B15R2.31 ClC1=NC(=CC=C1)CC2=CC=CC=C2 PH017692 [1,0,0,0,0,0|3,0,0]=4 9 B17R2.3218 CC1=CC(=CC(=C1)C(=O)C2=CC=CC=C2)C S55809 [0,1,0,0,0,0|3,0,0]=4 10 B17R2.3218 CC1=CC(=CC(=C1)C(C)C2=CC=CC=C2)C S685755 [0,1,0,0,0,0|3,0,0]=4 11 B17R2.268224 CC1=CC(=NC(=N1)NC2=C(C=CC=C2)Br)C L118737 [0,1,0,0,0,0|0,0,0]=1 12 B17R2.268224 CC1=CC(=NC(=N1)NC2=C(C=CC=C2)O)C L118486 [0,1,0,0,0,0|0,0,0]=1 13 B17R2.268224 CC1=CC(=NC(=N1)OC2=C(C=CC=C2)F)C L118540 [0,1,0,0,0,0|1,0,0]=2 14 B17R2.347286 CC1=CC(=NC(=N1)NC2=CC=C(C=C2)O)C L118494 [0,1,0,0,0,0|0,0,0]=1 15 B17R2.347286 CC1=CC(=NC(=N1)OC2=CC=C(C=C2)N)C L118877 [0,1,0,0,0,0|1,0,0]=2 16 B17R2.347286 CC1=CC=C(C=C1)NC2=NC(=CC(=N2)C)C L118850 [0,1,0,0,0,0|0,0,0]=1 17 B17R2.347286 ClC1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)Cl R281409 [0,1,0,0,0,0|3,0,0]=4 18 B17R3.34323 CC1=CC(=NC2=[N+]1C3=C(S2)C=CC=C3)C R908576 [0,0,0,1,0,0|1,0,1]=3 19 B17R3.34323 CC1=CC(=NC2=[N+]1C3=C(S2)C=CC=C3)C S67009 [0,0,0,1,0,0|1,0,1]=3 20 B17R3.34323 CC1=CC(=[N+]2C(=C1)OC3=C2C=CC=C3)C S11828 [0,0,0,1,0,0|2,0,1]=4 21 B17R3.34323 CC1=CC(=[N+]2C(=C1)SC3=C2C=CC=C3)C S11836 [0,0,0,1,0,0|2,0,1]=4 22 B15R2.27 CC1=CC(=NC(=N1)C2=CC=CN=C2)O T320919 [0,0,0,0,1,0|2,0,0]=3 23 B15R2.27 CC1=CC(=O)NC(=N1)C2=CC=CC=N2 T321257 [0,0,0,0,1,0|2,0,1]=4 24 B15R2.27 CC1=CC(=[O+]C(=C1)C)C2=CC=CC=C2 S24113 [0,0,0,0,1,0|2,0,0]=3 25 B15R2.27 CC1=CC(=[O+]C(=C1)C)C2=CC=CC=C2 S92844 [0,0,0,0,1,0|2,0,0]=3 26 B15R2.27 CC1=NC(=CC(=N1)C2=CC=CC=C2)O T309168 [0,0,0,0,1,0|3,0,0]=4 27 B15R2.27 CC1=NC(=NC(=C1)C2=CC=CC=C2)N CBR00532 [0,0,0,0,1,0|3,0,0]=4 28 B15R2.314 CC1=CC(=NN1C)NC2=CC=CC=C2 T311626 [0,0,0,0,1,0|2,0,0]=3 29 B15R2.325 CC1=C(N=C(N1)N)CC2=CC=CC=C2 PH015901 [0,0,0,0,1,0|3,0,0]=4 30 B15R2.325 CC1=C(N=C(S1)N)CC2=CC=CC=C2 PH013776 [0,0,0,0,1,0|3,0,0]=4 31 B15R2.325 CC1=N/C(=C/C2=CC=CC=C2)/C(=O)O1 S170119 [0,0,0,0,1,0|3,0,0]=4 32 B15R2.325 CC1=N/C(=C/C2=CC=CC=C2)/C(=O)O1 S664855 [0,0,0,0,1,0|3,0,0]=4 33 B17R2.3212 CC1=CC(=NC(=N1)SCC2=CC=CC=C2)N T313998 [0,0,0,0,0,1|2,0,0]=3 34 B17R2.3212 CC1=CC(=[O+]C(=C1)/C=C\C2=CC=CC=C2)C S200328 [0,0,0,0,0,1|3,0,0]=4 35 B17R2.3212 FC1=CC(=NC(=N1)NCC2=CC=CC=C2)F T318116 [0,0,0,0,0,1|2,0,0]=3 36 B17R2.3212 NC1=CC(=NC(=N1)SCC2=CC=CC=C2)O R584983 [0,0,0,0,0,1|3,0,0]=4 37 B17R2.3212 OC1=CC(=NC(=N1)SCC2=CC=CC=C2)O R418226 [0,0,0,0,0,1|3,0,0]=4 38 B14R2.6 C1=CC=C(C=C1)NC2=NC=CC=C2 PH006857 [2,0,0,0,0,0|1,0,0]=3 39 B14R2.6 C1=CC=C(C=C1)NC2=NC=CC=N2 SYX00317 [2,0,0,0,0,0|0,0,0]=2 40 B16R2.236 CC1=CC=NC(=C1)C(=O)C2=CC=CC=C2 R152323 [1,1,0,0,0,0|2,0,0]=4 41 B16R2.236 CC1=NC(=CC=C1)C(=O)C2=CC=CC=C2 PH009826 [1,1,0,0,0,0|2,0,0]=4 42 B16R2.236 CN(C1=CC=CC=C1)C2=NC=CC(=N2)O T315206 [1,1,0,0,0,0|1,0,0]=3 43 B16R2.19 CC1=NC(=NC(=C1)C2=CC=CC=C2)CCl PH018896 [0,1,0,0,1,0|2,0,0]=4 44 B16R2.19 OC1=NC(=NC(=C1)CCl)C2=CC=CN=C2 PH014299 [0,1,0,0,1,0|2,0,0]=4 45 B16R2.19 OCC1=CC(=NC(=C1)Cl)C2=CC=CC=C2 JRD1430 [0,1,0,0,1,0|2,0,0]=4 46 B16R2.95959 CC1=CC(=NC(=N1)C2=CC=CC=C2O)Cl T318361 [0,1,0,0,1,0|1,0,0]=3 47 B18R2.6770 CSC1=NC(=CC(=N1)C)NC2=CC=C(C=C2)Cl PH002882 [0,2,0,0,0,0|2,0,0]=4 48 B18R2.829457 COC1=C(C=CC=C1)NC2=NC(=CC(=N2)C)C L118869 [0,2,0,0,0,0|0,0,0]=2 49 B18R2.1304352 CC1=CC(=C(C=C1)NC2=NC(=CC(=N2)C)C)Br L118478 [0,2,0,0,0,0|0,0,0]=2 50 B18R2.1304352 CC1=CC(=NC(=N1)OC2=CC=C(C=C2Br)Br)C L118567 [0,2,0,0,0,0|1,0,0]=3 51 B16R2.2904 CC1=CC(=NN1CNC2=CC=CC=C2)C S506885 [0,0,1,1,0,0|0,0,2]=4 52 B18R3.426458 CC1=CC(=NC2=[N+]1C3=C(S2)C=C(C=C3)Br)C S139769 [0,1,0,1,0,0|1,0,1]=4 53 B18R3.426458 CC1=CC2=C(C=C1)[N+]3=C(S2)N=C(C=C3C)C S189715 [0,1,0,1,0,0|1,0,1]=4 54 B14R2.21 CC1=CC=NC(=C1)C2=CC=CC=C2 PH006795 [1,0,0,0,1,0|1,0,0]=3 55 B14R2.21 CC1=NC(=CC=C1)C2=CC=CC=C2 R245763 [1,0,0,0,1,0|1,0,0]=3 56 B14R2.21 CC1=[O+]C(=CC=C1)C2=CC=CC=C2 R252743 [1,0,0,0,1,0|2,0,0]=4 57 B14R2.21 ClC1=CC=NC(=N1)C2=NC=CC=C2 PH018734 [1,0,0,0,1,0|2,0,0]=4 58 B14R2.21 ClC1=NC=NC(=N1)C2=CC=CC=C2 PH008563 [1,0,0,0,1,0|2,0,0]=4 59 B14R2.249 CC1=CC(=NC(=N1)C2=CC=CS2)O T309753 [0,0,0,0,2,0|2,0,0]=4 60 B14R2.598 CC1=C(N=C(S1)Br)C2=CC=CC=C2 BOG00241 [0,0,0,0,2,0|2,0,0]=4 61 B14R2.598 CC1=CC(=NN1C2=CC=CC=C2)C S452149 [0,0,0,0,2,0|1,0,0]=3 62 B14R2.598 CC1=CC(=NN1C2=CC=CC=C2)C S64786 [0,0,0,0,2,0|1,0,0]=3 63 B14R2.598 CC1=CC(=NN1C2=NC=CC=C2)C S21912 [0,0,0,0,2,0|2,0,0]=4 64 B14R2.598 CC1=NN(C(=C1)Cl)C2=CC=CC=C2 PH010174 [0,0,0,0,2,0|2,0,0]=4 65 B14R2.598 CC1=NN(C(=C1)O)C2=CC=CC=C2 PH000223 [0,0,0,0,2,0|2,0,0]=4 66 B16R2.252 CC1=CC(=NC=N1)NCC2=CC=CC=C2 T313645 [1,0,0,0,0,1|2,0,0]=4 67 B16R2.252 CC1=CC=CC(=N1)/C=C/C2=CC=CC=C2 S954772 [1,0,0,0,0,1|2,0,0]=4 68 B16R2.252 CC1=CC=CC(=N1)NCC2=CC=CC=C2 PH017012 [1,0,0,0,0,1|1,0,0]=3 69 B16R2.252 O=C1C=CN=C(N1)NCC2=CC=CC=C2 T326674 [1,0,0,0,0,1|1,0,1]=4 70 B16R2.252 OC1=CC=NC(=N1)SCC2=CC=CC=C2 R418234 [1,0,0,0,0,1|2,0,0]=4 71 B16R2.312 CC1=CC(=C(C=C1)SC2=CC=CC=C2)C T332666 [0,0,0,0,1,1|2,0,0]=4 72 B15R2.29 ClC1=CC=C(C=C1)NC2=NC=CC=C2 PH010257 [2,1,0,0,0,0|1,0,0]=4 73 B15R2.29 FC1=CC=C(C=C1)NC2=CC=CC=N2 S898554 [2,1,0,0,0,0|1,0,0]=4 74 B15R2.29 NC1=CC=C(C=C1)OC2=NC=CC=N2 CDS006360 [2,1,0,0,0,0|1,0,0]=4 75 B15R2.321 CC1=C(N(C(=N1)C2=CC=CC=C2)O)C L498742 [0,1,0,0,2,0|0,0,1]=4 76 B15R2.2248 CC1=C(N=C(O1)C2=CC=CC=C2)CCl PH009846 [0,1,0,0,2,0|1,0,0]=4 77 B15R2.2248 CC1=C(SC(=N1)C2=CC=CC=C2)CBr CDS015877 [0,1,0,0,2,0|1,0,0]=4 78 B15R2.309 CC1=CC(=NN1C2=CC=C(C=C2)N)C CBR02305 [0,1,0,0,2,0|1,0,0]=4 79 B15R2.557 CC1=CC(=NN1C2=C(C=CC=C2)F)C JRD0469 [0,1,0,0,2,0|1,0,0]=4 80 B15R2.557 CC1=CC(=NN1C2=C(C=CC=C2)N)C CBR00397 [0,1,0,0,2,0|1,0,0]=4 81 B17R2.41893 CC1=CC(=NC=C1)NCC2=CC=CC=C2O S559490 [1,1,0,0,0,1|1,0,0]=4 82 B17R2.41893 CC1=CC=CC(=N1)NCC2=CC=CC=C2O S641871 [1,1,0,0,0,1|1,0,0]=4 83 B17R2.3312 CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C T311774 [0,1,0,0,1,1|1,0,0]=4 84 B17R2.2514 OC1=NC(=NC(=C1)CCl)C2=CC(=CC=C2)F PH014283 [0,2,0,0,1,0|1,0,0]=4 85 B17R2.3315 CC(=O)C1=C(SC(=N1)NC2=CC=CC=C2)C R381322 [0,2,0,0,1,0|1,0,0]=4 86 B17R2.3315 CC(=O)C1=C(SC(=N1)NC2=CC=CC=C2)C R668990 [0,2,0,0,1,0|1,0,0]=4 87 B19R2.594208 CC1=CC(=NC(=N1)N/N=C/C2=C(C=CC=C2)F)O R901636 [0,1,0,0,0,2|1,0,0]=4 88 B19R2.594208 CC1=NC(=NC(=C1)O)NN=CC2=CC=CC=C2O S362484 [0,1,0,0,0,2|1,0,0]=4 89 B19R2.1294086 CC1=CC=C(C=C1)/C=N/NC2=NC(=CC(=N2)C)O R506222 [0,1,0,0,0,2|1,0,0]=4 90 B19R2.1294086 CC1=NC(=NC(=C1)O)N/N=C/C2=CC=C(C=C2)F S229245 [0,1,0,0,0,2|1,0,0]=4 91 B19R2.1294086 CC1=NC(=NC(=C1)O)N/N=C/C2=CC=C(C=C2)F S93743 [0,1,0,0,0,2|1,0,0]=4 92 B19R2.1294086 CC1=NC(=NC(=C1)O)N/N=C/C2=CC=C(C=C2)O S180017 [0,1,0,0,0,2|1,0,0]=4 93 B19R2.1291524 CC1=CC(=NC(=C1)C)NC(=O)C2=CC=C(C=C2)N PH010682 [0,2,0,0,0,1|1,0,0]=4 94 B19R2.44733 CC1=CC(=NC(=N1)NC2=CC=CC(=C2)C(=O)O)C CDS018583 [0,3,0,0,0,0|0,0,0]=3 95 B19R2.465551 CC1=CC(=NC(=N1)OC2=C(C=C(C=C2Cl)Cl)Cl)C L118559 [0,3,0,0,0,0|1,0,0]=4 96 B19R2.4109 CC1=CC(=NC(=N1)NC2=CC=CC=C2C(=O)O)C L118710 [0,3,0,0,0,0|0,0,0]=3 97 B19R2.4109 CC1=CC(=NC(=N1)OC2=C(C=CC=C2)[N+](=O)[O-])C L118532 [0,3,0,0,0,0|1,0,0]=4 98 B19R2.4097 CC1=CC(=NC(=N1)OC2=CC=C(C=C2)[N+](=O)[O-])C L118524 [0,3,0,0,0,0|1,0,0]=4 99 B15R3.3 C1=CC2=C(C=C1)C3=C(N2)N=CC=C3 PH007339 [2,0,0,1,0,0|1,0,0]=4 100 B17R2.3343 CC1=CC(=NN1C(=O)NC2=CC=CC=C2)C S21890 [0,0,1,1,0,1|1,0,0]=4 101 B19R3.2936359 CC1=CC(=NC2=C1C(=O)C3=C(N2)C=CC=C3)C L345180 [0,2,0,1,0,0|1,0,0]=4 102 B13R1.351 CC(=O)/C(=N/NC1=CC=CC=C1)/C S17265 [0,0,1,0,2,0|1,0,0]=4 103 B13R2.3 C1=CC=C(C=C1)C2=NC=CC=N2 CDS006350 [2,0,0,0,1,0|0,0,0]=3 104 B13R2.64 C1=CC=C(C=C1)NC2=NC=CS2 PH010014 [2,0,0,0,1,0|1,0,0]=4 105 B13R2.10 CC1=NC(=CN1)C2=CC=CC=C2 CBR02038 [1,0,0,0,2,0|1,0,0]=4 106 B13R2.10 CC1=NC(=NO1)C2=CC=CC=C2 CDS000772 [1,0,0,0,2,0|1,0,0]=4 107 B15R2.2195 C1=CC=C(C=C1)CSC2=NC=CC=N2 T316571 [2,0,0,0,0,1|1,0,0]=4