0 B20R3.407772 O=C1SC2=C(N1CC3=CC=C(C=C3)F)C=CC=C2 R240664 [0,0,0,0,0,0|2,1,0]=3 1 B20R3.407772 O=C\1NC2=C(/C1=N/C3=CC=C(C=C3)Cl)C=CC=C2 L173576 [0,0,0,0,0,0|3,0,1]=4 2 B20R3.407772 S=C1NC2=C(N1CC3=CC=C(C=C3)Br)C=CC=C2 R777692 [0,0,0,0,0,0|1,1,1]=3 3 B19R3.288 NC1=NC2=C(N1CC3=CC=CC=C3)C=CC=C2 CDS003967 [1,0,0,0,0,0|1,0,0]=2 4 B19R3.288 O=C1OC2=C(N1CC3=CC=CC=C3)C=CC=C2 R306886 [1,0,0,0,0,0|2,0,0]=3 5 B19R3.288 O=C1SC2=C(N1CC3=CC=CC=C3)C=CC=C2 S822612 [1,0,0,0,0,0|2,0,0]=3 6 B19R3.288 S=C1SC2=C(N1CC3=CC=CC=C3)C=CC=C2 R306797 [1,0,0,0,0,0|2,0,0]=3 7 B19R3.288 SC1=NC2=CC=CC=C2N1CC3=CC=CC=C3 TMT00383 [1,0,0,0,0,0|1,0,0]=2 8 B19R3.288 [NH2+]=C1SC2=C(N1CC3=CC=CC=C3)C=CC=C2 R242888 [1,0,0,0,0,0|2,0,0]=3 9 B19R3.288 [NH2+]=C1SC2=C(N1CC3=CC=CC=C3)C=CC=C2 R306592 [1,0,0,0,0,0|2,0,0]=3 10 B19R3.434 CC1=CC=C(C=C1)C[N+]2=CSC3=C2C=CC=C3 R241717 [1,0,0,0,0,0|2,0,1]=4 11 B19R3.434 ClC1=CC=C(C=C1)CN2C=NC3=C2C=CC=C3 R688975 [1,0,0,0,0,0|0,0,0]=1 12 B19R3.434 ClC1=CC=C(C=C1)C[N+]2=CSC3=C2C=CC=C3 R242578 [1,0,0,0,0,0|1,0,1]=3 13 B19R3.434 FC1=CC=C(C=C1)C[N+]2=CSC3=C2C=CC=C3 R242497 [1,0,0,0,0,0|1,1,1]=4 14 B21R3.10321 COC1=CC=C(C=C1)CN2C(=NC3=C2C=CC=C3)Cl PH015502 [0,1,0,0,0,0|2,0,0]=3 15 B21R3.36372 CC1=CC=C(C=C1)CN2C(=NC3=C2C=CC=C3)CO EME00196 [0,1,0,0,0,0|1,0,0]=2 16 B21R3.36372 OCC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C=CC=C2 EME00194 [0,1,0,0,0,0|0,0,0]=1 17 B21R3.144870 O=C1C(=O)N(C2=C1C=CC=C2)CC3=CC=C(C=C3)Cl S716537 [0,1,0,0,0,0|2,0,0]=3 18 B21R3.652778 CC1=C(C2=C(N1)C=CC=C2)C(=O)C3=CC=C(C=C3)Cl S806641 [0,1,0,0,0,0|1,0,2]=4 19 B21R3.7515514 CC1=CC=C(C(=C1)C)CN2C(=O)SC3=C2C=CC=C3 R786411 [0,1,0,0,0,0|3,0,0]=4 20 B21R3.9448074 CC1=CC=C(C=C1)CN2C(=N)SC3=C2C=CC(=C3)C R242381 [0,1,0,0,0,0|3,0,0]=4 21 B19R2.286 CC1=CC=C(C=C1)CNC(=S)NC2=CC=CC=C2 S743356 [0,0,1,0,0,0|2,0,1]=4 22 B19R2.286 O=C(CC1=CC=CC=C1)NCC2=CC=C(C=C2)Cl S900486 [0,0,1,0,0,0|2,0,0]=3 23 B19R2.286 O=C(NCC1=CC=C(C=C1)Cl)NC2=CC=CC=C2 R645710 [0,0,1,0,0,0|1,0,1]=3 24 B21R3.144861 O=C1COC2=CC=CC=C2N1CC3=CC=C(C=C3)Br T155616 [0,0,0,0,0,1|2,1,0]=4 25 B21R3.661650 CC1=CC=C(C=C1)NCN2C(=O)SC3=C2C=CC=C3 R366315 [0,0,0,0,0,1|3,0,0]=4 26 B21R3.661650 CC1=CC=C(C=C1)NCN2C(=O)SC3=C2C=CC=C3 R587478 [0,0,0,0,0,1|3,0,0]=4 27 B21R3.661650 NC1=NC2=C(N1/N=C/C3=CC=C(C=C3)Br)C=CC=C2 R413453 [0,0,0,0,0,1|1,1,1]=4 28 B21R3.661650 O=C1SC2=C(N1COC3=CC=C(C=C3)Br)C=CC=C2 R588016 [0,0,0,0,0,1|2,1,0]=4 29 B21R3.661650 OC1=CC=C(C=C1)NCN2C(=S)NC3=C2C=CC=C3 S506826 [0,0,0,0,0,1|2,0,1]=4 30 B21R3.661650 OC1=CC=C(C=C1)NCN2C(=S)SC3=C2C=CC=C3 S408832 [0,0,0,0,0,1|3,0,0]=4 31 B18R2.2429 O=C(CC1=CC=CC=C1)NCC2=CC=CC=C2 R131687 [1,0,1,0,0,0|2,0,0]=4 32 B18R2.2429 O=C(NCC1=CC=CC=C1)NC2=CC=CC=C2 S517771 [1,0,1,0,0,0|1,0,1]=4 33 B18R2.2429 S=C(NCC1=CC=CC=C1)NC2=CC=CC=C2 S716774 [1,0,1,0,0,0|1,0,1]=4 34 B18R2.4111 CC(=O)N(NC1=CC=CC=C1)C2=CC=CC=C2 R278823 [1,0,1,0,0,0|2,0,0]=4 35 B18R3.2098 C1=CC=C(C=C1)CC2=CNC3=C2C=CC=C3 PH011550 [2,0,0,0,0,0|1,0,1]=4 36 B18R3.2098 C1=CC=C(C=C1)CC2C=CC3=C2C=CC=C3 S768022 [2,0,0,0,0,0|2,0,0]=4 37 B18R3.2098 C1=CC=C(C=C1)CN2C=CC3=C2C=CC=C3 PH010768 [2,0,0,0,0,0|1,0,0]=3 38 B18R3.2098 C1=CC=C(C=C1)CN2CSC3=C2C=CC=C3 R366951 [2,0,0,0,0,0|1,0,1]=4 39 B18R3.2098 C1=CC=C(C=C1)CN2N=NC3=C2C=CC=C3 S266671 [2,0,0,0,0,0|1,0,0]=3 40 B18R3.2098 C1=CC=C(C=C1)C[N+]2=CSC3=C2C=CC=C3 R242624 [2,0,0,0,0,0|1,0,1]=4 41 B18R3.2098 C1=CC=C(C=C1)C[N+]2=CSC3=C2C=CC=C3 R307912 [2,0,0,0,0,0|1,0,1]=4 42 B18R3.2098 C1=CC=C(C=C1)C[N+]2=CSC3=C2C=CC=C3 R550191 [2,0,0,0,0,0|1,0,1]=4 43 B18R3.2098 C1=CC=C(C=C1)C[N+]2=CSC3=C2C=CC=C3 R587648 [2,0,0,0,0,0|1,0,1]=4 44 B20R2.286 O=C(NCC1=CC=C(C=C1)Cl)NC2=CC=C(C=C2)Cl R547131 [0,1,1,0,0,0|1,0,1]=4 45 B20R2.4447 CN(CC1=CC=C(C=C1)Cl)C(=S)NC2=CC=CC=C2 S750344 [0,1,1,0,0,0|1,0,1]=4 46 B20R2.4448 O=C(NCC1=CC=C(C=C1)Cl)NC2=CC(=CC=C2)F S801984 [0,1,1,0,0,0|1,0,1]=4 47 B20R3.6008 N=C1SC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Br R507210 [1,1,0,0,0,0|2,0,0]=4 48 B20R3.6008 NC1=CC=C2C(=C1)OC(=O)N2CC3=CC=CC=C3 PH017978 [1,1,0,0,0,0|2,0,0]=4 49 B20R3.6008 O=C1SC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Br R243981 [1,1,0,0,0,0|2,0,0]=4 50 B20R3.91873 CC1=CC(=CC=C1)CN2C(=O)SC3=C2C=CC=C3 R588008 [1,1,0,0,0,0|2,0,0]=4 51 B20R3.91873 O=C1SC2=C(N1CC3=CC(=CC=C3)Cl)C=CC=C2 R242691 [1,1,0,0,0,0|2,0,0]=4 52 B20R3.280975 CC1=CC=CC=C1CN2C(=O)SC3=C2C=CC=C3 R366439 [1,1,0,0,0,0|2,0,0]=4 53 B20R3.280975 O=C1SC2=C(N1CC3=C(C=CC=C3)Cl)C=CC=C2 R241822 [1,1,0,0,0,0|2,0,0]=4 54 B20R3.1943595 O=C1C(=O)N(C2=CC=CC=C12)CC3=CC=CC=C3 PH010430 [1,1,0,0,0,0|2,0,0]=4 55 B20R3.183 N#CC1=CC=C(C=C1)CN2C=NC3=C2C=CC=C3 EME00214 [1,1,0,0,0,0|1,0,0]=3 56 B20R3.613 CC1=CC=C(C=C1)C(=O)N2C=NC3=C2C=CC=C3 R574201 [1,1,0,0,0,0|1,0,1]=4 57 B20R3.402645 O=C1CC2=C(C=CC=C2)C(N1)C3=CC=C(C=C3)Cl R422371 [0,0,1,1,0,0|2,0,0]=4 58 B20R3.408728 ClC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3S2 T140929 [0,0,1,1,0,0|2,0,0]=4 59 B22R4.9809 ClC1=CC=C(C=C1)C2=CSC3=NC4=C(N23)C=CC=C4 R915882 [0,1,0,1,0,0|0,0,2]=4 60 B18R2.257 O=C(CCC1=CC=C(C=C1)Cl)C2=CC=CC=C2 PH009951 [0,0,1,0,1,0|2,0,0]=4 61 B18R2.266 O=C(CC1=CC=CC=C1)NC2=CC=C(C=C2)Cl R131660 [0,0,1,0,1,0|2,0,0]=4 62 B18R2.266 O=C(NC1=CC=C(C=C1)Cl)OC2=CC=CC=C2 S590258 [0,0,1,0,1,0|2,0,0]=4 63 B18R2.266 O=C(NC1=CC=C(C=C1)Cl)SC2=CC=CC=C2 PH006378 [0,0,1,0,1,0|2,0,0]=4 64 B18R2.266 O=C(NC1=CC=CC=C1)NC2=CC=C(C=C2)Cl S712205 [0,0,1,0,1,0|1,0,1]=4 65 B18R2.266 S=C(NC1=CC=CC=C1)NC2=CC=C(C=C2)Cl S615234 [0,0,1,0,1,0|1,0,1]=4 66 B18R3.182 O=C1CC2=C(N1C3=CC=CC=C3)C=CC=C2 PH005146 [1,0,0,0,1,0|2,0,0]=4 67 B18R3.182 O=C1SC2=C(N1C3=CC=CC=C3)C=CC=C2 S512397 [1,0,0,0,1,0|2,0,0]=4 68 B18R3.182 S=C1SC2=C(N1C3=CC=CC=C3)C=CC=C2 S537330 [1,0,0,0,1,0|2,0,0]=4 69 B18R3.182 SC1=NC2=C(N1C3=CC=CC=C3)C=CC=C2 R702145 [1,0,0,0,1,0|1,0,0]=3 70 B18R3.48 ClC1=CC=C(C=C1)C2=CCC3=C2C=CC=C3 PH008501 [1,0,0,0,1,0|2,0,0]=4 71 B18R3.48 NC1=CC=C(C=C1)N2C=NC3=C2C=CC=C3 CBR00351 [1,0,0,0,1,0|1,0,0]=3 72 B20R2.4449 O=C(/C=C/C1=CC=CC=C1)NCC2=CC=C(C=C2)Cl R645753 [0,0,1,0,0,1|2,0,0]=4 73 B20R2.4449 O=C(COC1=CC=CC=C1)NCC2=CC=C(C=C2)Cl R644625 [0,0,1,0,0,1|2,0,0]=4 74 B20R2.15229 O=C(NCCC1=CC=C(C=C1)Cl)NC2=CC=CC=C2 R645672 [0,0,1,0,0,1|1,0,1]=4 75 B20R3.13142 O=C1SC2=C(N1CNC3=CC=CC=C3)C=CC=C2 R240370 [1,0,0,0,0,1|2,0,0]=4 76 B20R3.13142 O=C1SC2=C(N1COC3=CC=CC=C3)C=CC=C2 R306223 [1,0,0,0,0,1|2,0,0]=4 77 B20R3.13142 O=C1SC2=CC=CC=C2N1CCC3=CC=CC=C3 PH010756 [1,0,0,0,0,1|2,0,0]=4 78 B20R3.13142 S=C1NC2=C(N1CNC3=CC=CC=C3)C=CC=C2 S506842 [1,0,0,0,0,1|1,0,1]=4 79 B20R3.13142 S=C1SC2=C(N1CNC3=CC=CC=C3)C=CC=C2 PH005202 [1,0,0,0,0,1|2,0,0]=4 80 B20R3.13142 SC1=NC2=CC=CC=C2N1CCC3=CC=CC=C3 TMT00385 [1,0,0,0,0,1|1,0,0]=3 81 B20R3.245094 O=C1N=C2C=CC=CC=C2N1CC3=CC=CC=C3 PH003294 [1,0,0,0,0,1|1,0,0]=3 82 B20R3.644 BrC1=CC=C(C=C1)NCN2N=NC3=C2C=CC=C3 L201723 [1,0,0,0,0,1|1,1,0]=4 83 B20R3.644 BrC1=CC=C(C=C1)OCN2N=NC3=C2C=CC=C3 R468924 [1,0,0,0,0,1|1,1,0]=4 84 B20R3.644 ClC1=CC=C(C=C1)NCN2N=NC3=C2C=CC=C3 L201758 [1,0,0,0,0,1|1,0,0]=3