0 B16R2.2256 C(NCc1ccccc1)c2ccccc2 PI-32640 [0,0,0,0,0,0|1,0,0]=1 1 B16R2.2256 C(Sc1ccccc1)Sc2ccccc2 PI-22394 [0,0,0,0,0,0|3,0,0]=3 2 B16R2.2256 C1=CC=C(C=C1)CNCC2=CC=CC=N2 PI-11656 [0,0,0,0,0,0|2,0,0]=2 3 B16R2.2256 C1=CC=C(C=C1)NC=NC2=CC=CC=C2 PI-34114 [0,0,0,0,0,0|3,0,0]=3 4 B16R2.2256 c1ccc(cc1)CCOc2ccccc2 PI-38238 [0,0,0,0,0,0|2,0,0]=2 5 B16R2.2256 n1ccc(cc1)CCCc2ccncc2 PI-25242 [0,0,0,0,0,0|3,0,0]=3 6 B17R2.143 C1=CC=C(C=C1)CC(=O)CC2=CC=CC=C2 PI-43229 [0,1,0,0,0,0|1,0,0]=2 7 B17R2.143 N=C(Nc1ccccc1)Nc2ccccc2 PI-38149 [0,1,0,0,0,0|3,0,0]=4 8 B17R2.216 C1=CC(=CN=C1)CNCC2=CC=C(C=C2)F PI-23521 [0,1,0,0,0,0|2,0,0]=3 9 B17R2.216 C1=CC=C(C=C1)CNCC2=CC=C(C=C2)Cl PI-28123 [0,1,0,0,0,0|1,0,0]=2 10 B17R2.216 C1=CC=C(C=C1)CNCC2=CC=C(C=C2)F PI-28636 [0,1,0,0,0,0|1,0,0]=2 11 B17R2.2342 C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2 PI-29053 [0,1,0,0,0,0|1,0,1]=3 12 B17R2.2342 C1=CC=C(C=C1)\C=C\C(C2=CC=CC=C2)O PI-46974 [0,1,0,0,0,0|1,0,1]=3 13 B17R2.2342 CC(C1=CC=CC=C1)CCC2=CC=CC=C2 PI-42719 [0,1,0,0,0,0|1,0,0]=2 14 B17R2.2342 C[C@H](NCc1ccccc1)c2ccccc2 PI-16660 [0,1,0,0,0,0|1,0,0]=2 15 B17R2.2342 C[C@H](c1ccccc1)NCc2ccccc2 PI-16661 [0,1,0,0,0,0|1,0,0]=2 16 B17R2.2342 O=C(c1ccccc1)NCc2ccccc2 PI-28161 [0,1,0,0,0,0|1,0,1]=3 17 B17R2.2342 O=C(c1cccnc1)OCc2ccccc2 PI-33009 [0,1,0,0,0,0|1,0,1]=3 18 B17R2.3956 C1=CC=C(C=C1)CNCC2=CC=CC=C2Cl PI-28746 [0,1,0,0,0,0|1,0,0]=2 19 B17R2.3956 C1=CC=C(C=C1)N\N=C\C2=CC=CC=C2O PI-50284 [0,1,0,0,0,0|2,0,1]=4 20 B17R2.5301 Brc1cccc(CNCc2ccccc2)c1 PI-28971 [0,1,0,0,0,0|1,0,0]=2 21 B17R2.5301 C1=CC(=CC(=C1)Br)CNCC2=CN=CC=C2 PI-20563 [0,1,0,0,0,0|2,0,0]=3 22 B17R3.8 C1=CC=C(C=C1)N2C=NC3=CC=CC=C32 PI-44109 [0,0,0,1,0,0|3,0,0]=4 23 B17R3.1927 O1[C@@H]([C@H]1c2ccccc2)c3ccccc3 PI-22012 [0,0,0,1,0,0|0,0,0]=1 24 B15R2.2195 C1(SSC2=CC=CC=C2)=CC=CC=C1 PI-39448 [0,0,0,0,1,0|1,1,0]=3 25 B15R2.2195 C1=CC=C(C=C1)C#CC2=CC=CC=C2 PI-29633 [0,0,0,0,1,0|0,0,2]=3 26 B15R2.2195 C1=CC=C(C=C1)C=CC2=CC=NC=C2 PI-31489 [0,0,0,0,1,0|1,0,2]=4 27 B15R2.2195 C1=CC=C(C=C1)CCC2=CC=CC=C2 PI-29039 [0,0,0,0,1,0|0,0,0]=1 28 B15R2.2195 C1=CC=C(C=C1)CNC2=CC=CC=N2 PI-31488 [0,0,0,0,1,0|2,0,0]=3 29 B15R2.2195 C1=CC=C(C=C1)COC2=CC=CC=C2 PI-20328 [0,0,0,0,1,0|0,0,0]=1 30 B15R2.2195 C1=CC=C(C=C1)COC2=CC=NC=C2 PI-43980 [0,0,0,0,1,0|1,0,0]=2 31 B15R2.2195 C1=CC=C(C=C1)CSC2=CC=CC=C2 PI-11012 [0,0,0,0,1,0|0,1,0]=2 32 B15R2.2195 C1=CN=CC=C1CCC2=CC=NC=C2 PI-25601 [0,0,0,0,1,0|2,0,0]=3 33 B15R2.2195 c1ccc(cc1)\C=C/c2ccccc2 PI-16533 [0,0,0,0,1,0|0,0,2]=3 34 B15R2.2196 C1=CC=C(C=C1)CNCC2=CC=CO2 PI-28535 [0,0,0,0,1,0|2,0,0]=3 35 B15R2.2196 C1=COC(=C1)CNCC2=CC=NC=C2 PI-19599 [0,0,0,0,1,0|3,0,0]=4 36 B17R2.2382 C(=C/c1ccccc1)\C=C\c2ccccc2 PI-29961 [0,0,0,0,0,1|1,0,2]=4 37 B17R2.2382 C(Nc1ccccc1)CNc2ccccc2 PI-30163 [0,0,0,0,0,1|2,0,0]=3 38 B17R2.2382 C1(OCCOC2=CC=CC=C2)=CC=CC=C1 PI-42673 [0,0,0,0,0,1|2,0,0]=3 39 B17R2.2382 C1=CC=C(C=C1)C#CC#CC2=CC=CC=C2 PI-29962 [0,0,0,0,0,1|1,0,2]=4 40 B17R2.2382 C1=CC=C(C=C1)CCCSC2=CC=CC=C2 PI-19408 [0,0,0,0,0,1|1,0,0]=2 41 B17R2.2382 C1=CC=C(C=C1)SCCSC2=CC=CC=C2 PI-22393 [0,0,0,0,0,1|2,0,0]=3 42 B16R2.71 C[N+]1=CC=CC=C1OCC2=CC=CC=C2 PI-50202 [0,1,0,0,1,0|1,0,0]=3 43 B16R2.71 Nc1ncccc1OCc2ccccc2 PI-11014 [0,1,0,0,1,0|1,0,0]=3 44 B16R2.88 C1=CC=C(C=C1)C(=NC2=CC=CC=C2)N PI-30167 [0,1,0,0,1,0|1,0,1]=4 45 B16R2.88 C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2 PI-29191 [0,1,0,0,1,0|1,0,1]=4 46 B16R2.88 C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2 PI-50362 [0,1,0,0,1,0|0,0,1]=3 47 B16R2.88 C1=CC=C(C=C1)C(=S)NC2=CC=CC=C2 PI-30818 [0,1,0,0,1,0|1,0,1]=4 48 B16R2.88 C1=CC=C(C=C1)CC(C2=CC=CC=C2)N PI-30389 [0,1,0,0,1,0|0,0,0]=2 49 B16R2.88 C1=CC=C(C=C1)CN(C2=CC=CC=C2)N PI-29707 [0,1,0,0,1,0|1,0,0]=3 50 B16R2.88 C1=CC=C(C=C1)CN(C2=CC=CC=C2)N PI-29767 [0,1,0,0,1,0|1,0,0]=3 51 B16R2.88 C1=CC=C(C=C1)OC(=O)C2=CC=CC=N2 PI-40514 [0,1,0,0,1,0|1,0,1]=4 52 B16R2.88 CN(CC1=CC=CC=C1)C2=CC=CC=C2 PI-31672 [0,1,0,0,1,0|1,0,0]=3 53 B16R2.132 Brc1ccc(cc1)OCc2ccccc2 PI-28752 [0,1,0,0,1,0|0,0,0]=2 54 B16R2.132 C1=C(OCC2=CC=CC=C2)C=CC(=C1)O PI-33439 [0,1,0,0,1,0|0,0,0]=2 55 B16R2.132 C1=CC=C(C=C1)C=CC2=CC=C(C=C2)Br PI-46975 [0,1,0,0,1,0|0,0,2]=4 56 B16R2.132 C1=CC=C(C=C1)C=CC2=CC=C(C=C2)O PI-18802 [0,1,0,0,1,0|0,0,2]=4 57 B16R2.132 C1=CC=C(C=C1)COC2=CC=C(C=C2)Cl PI-20005 [0,1,0,0,1,0|0,0,0]=2 58 B16R2.132 C1=CC=C(C=C1)COC2=CC=C(C=C2)F PI-20007 [0,1,0,0,1,0|0,0,0]=2 59 B16R2.132 C1=CC=C(C=C1)COC2=CC=C(C=C2)I PI-20008 [0,1,0,0,1,0|0,0,0]=2 60 B16R2.132 C1=CC=C(C=C1)COC2=CC=C(C=C2)N PI-42337 [0,1,0,0,1,0|0,0,0]=2 61 B16R2.132 C1=CC=C(C=C1)COC2=CC=[N+](C=C2)[O-] PI-28328 [0,1,0,0,1,0|1,0,0]=3 62 B16R2.132 C1=CC=C(C=C1)COC2=NN=C(C=C2)Cl PI-47346 [0,1,0,0,1,0|2,0,0]=4 63 B16R2.132 C1=CC=C(C=C1)N=CC2=CC=C(C=C2)Br PI-50752 [0,1,0,0,1,0|1,0,1]=4 64 B16R2.132 Nc1ccc(OCc2ccccc2)cc1 PI-32565 [0,1,0,0,1,0|0,0,0]=2 65 B16R2.252 C1=CC=C(C=C1)COC2=CC(=CC=C2)Br PI-28619 [0,1,0,0,1,0|0,0,0]=2 66 B16R2.252 C1=CC=C(C=C1)COC2=CC(=CC=C2)F PI-23508 [0,1,0,0,1,0|0,0,0]=2 67 B16R2.252 C1=CC=C(C=C1)COC2=CC(=O)NC=C2 PI-44997 [0,1,0,0,1,0|1,0,0]=3 68 B16R2.135 CC1=CC=C(C=C1)CNCC2=CC=CO2 PI-19619 [0,1,0,0,1,0|2,0,0]=4 69 B16R2.2959 CC1=CC=CC=C1CNCC2=CC=CO2 PI-19334 [0,1,0,0,1,0|2,0,0]=4 70 B18R2.2429 C1=CC=C(C=C1)CC(=O)OCC2=CC=CC=C2 PI-50430 [0,1,0,0,0,1|0,0,0]=2 71 B18R2.2429 C1=CC=C(C=C1)CNC(=S)NC2=CC=CC=C2 PI-20331 [0,1,0,0,0,1|1,0,1]=4 72 B18R2.253 C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)O PI-50670 [0,2,0,0,0,0|0,0,1]=3 73 B18R2.257 Fc1ccc(cc1)CNC(C)c2ccccc2 PI-23515 [0,2,0,0,0,0|1,0,0]=3 74 B18R2.4060 Clc1ccc(CNCc2ccccc2)c(Cl)c1 PI-28979 [0,2,0,0,0,0|1,0,0]=3 75 B18R2.3634 CC(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2 PI-19160 [0,2,0,0,0,0|1,0,1]=4 76 B18R2.3634 C[C@H](N[C@H](C1=CC=CC=C1)C)C2=CC=CC=C2 PI-46852 [0,2,0,0,0,0|1,0,0]=3 77 B18R2.4001 C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2O PI-11850 [0,2,0,0,0,0|1,0,1]=4 78 B18R2.4001 C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2N PI-28842 [0,2,0,0,0,0|0,0,1]=3 79 B18R2.445 COC1=CC=CC=C1CNCC2=CC=CC=C2 PI-28765 [0,2,0,0,0,0|1,0,0]=3 80 B16R3.9 C1=CC=C2C(=C1)C=NC3=CC=CC=C23 PI-30344 [0,0,0,1,1,0|1,0,1]=4 81 B16R3.9 c1ccc2c(c1)CCc3ccccc23 PI-18901 [0,0,0,1,1,0|0,0,0]=2 82 B18R3.2098 C1=CC=C(C=C1)CN2C=CC3=CC=CC=C32 PI-27496 [0,0,0,1,0,1|1,0,1]=4 83 B18R3.2108 C1CNC(C2=CC=CC=C21)C3=CC=NC=C3 PI-17079 [0,0,0,1,0,1|2,0,0]=4 84 B18R3.2108 c1ccc(cc1)C2NCCc3c2cccc3 PI-17172 [0,0,0,1,0,1|1,0,0]=3 85 B18R3.2108 c1ccc(cc1)[C@@H]2NCCc3c2cccc3 PI-33715 [0,0,0,1,0,1|1,0,0]=3 86 B18R3.2108 c1ccc(cc1)[C@H]2NCCc3c2cccc3 PI-37811 [0,0,0,1,0,1|1,0,0]=3 87 B18R3.182 C1C2=CC=CC=C2N(C1=O)C3=CC=CC=C3 PI-14235 [0,1,0,1,0,0|2,0,0]=4 88 B18R3.182 O=C1OC2=CC=CC=C2C1C3=CC=CC=C3 PI-37200 [0,1,0,1,0,0|2,0,0]=4 89 B18R3.12875 C1(NC2=CC=CC=C2)CC3=C(C=CC=C3)C1 PI-42780 [0,1,0,1,0,0|2,0,0]=4 90 B18R3.12875 C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2 PI-17296 [0,1,0,1,0,0|2,0,0]=4 91 B18R3.4253 C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)Cl PI-20202 [0,1,0,1,0,0|1,0,1]=4 92 B14R2.6 C1([I+]C2=CC=CC=C2)=CC=CC=C1 PI-37355 [0,0,0,0,2,0|1,0,0]=3 93 B14R2.6 C1=CC=C(C=C1)NC2=CC=CC=C2 PI-46971 [0,0,0,0,2,0|1,0,0]=3 94 B14R2.6 C1=CC=C(C=C1)NC2=CC=NC=C2 PI-47018 [0,0,0,0,2,0|2,0,0]=4 95 B14R2.6 C1=CC=C(C=C1)[I+]C2=CC=CC=C2 PI-29354 [0,0,0,0,2,0|1,0,0]=3 96 B14R2.6 C1=CC=C(C=C1)[I+]C2=CC=CC=C2 PI-29718 [0,0,0,0,2,0|1,0,0]=3 97 B14R2.101 C1=CC=C(C=C1)CCN2C=CN=C2 PI-44178 [0,0,0,0,2,0|2,0,0]=4