0 B13R2.369 CC1=NC2=C(C=CC=C2)NC1=O XBX00029 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.369 CC1=NC2=CC=CC=C2N=C1C XBX00028 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.369 CC1=NC2=CC=CC=C2N=C1O RF02078 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.369 OC1=C(O)N=C2C=CC=CC2=N1 MGH00027 [0,0,0,0,0,0|2,0,1]=3 4 B13R2.369 OC1=NC2=C(N=CC=C2)N=C1O BTB09826 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.369 SC1=NC2=CC=CC=C2N=C1S JFD01548 [0,0,0,0,0,0|2,2,0]=4 6 B12R2.24 ClC1=CC2=C(C=C1)N=CC=C2 AC31488 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.24 O=C1COC2=CC=CC=C2O1 RH00750 [1,0,0,0,0,0|1,0,1]=3 8 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 RB00326 [1,0,0,0,0,0|2,0,1]=4 9 B14R2.1128 N#CC1=CC2=C(C=CC=C2)OC1=O BTB01247 [0,1,0,0,0,0|1,0,0]=2 10 B14R2.1128 N#CC1=CC2=CC=CC=C2N=C1N SEW05329 [0,1,0,0,0,0|3,0,0]=4 11 B14R2.8188 CC1=C(Cl)C(O)=NC2=CC=CC=C21 JM00483 [0,1,0,0,0,0|2,0,1]=4 12 B14R2.8188 CC1=NC2=CC=CC=C2N(C)C1=O SEW00767 [0,1,0,0,0,0|3,0,0]=4 13 B14R2.8188 CN1C(=O)CC2=CC=CC=C2C1=O RJC04083 [0,1,0,0,0,0|3,0,0]=4 14 B14R2.8188 O=C1NC2=CC=CC=C2C(O)=C1Br RJC01448 [0,1,0,0,0,0|2,0,0]=3 15 B14R2.8239 CC1=CC=C2C=C(C)C(C)=CC2=C1 JFD03643 [0,1,0,0,0,0|3,0,0]=4 16 B14R2.8239 O=C1NC2=CC=C(Cl)C=C2NC1=O BTB09743 [0,1,0,0,0,0|2,0,1]=4 17 B12R1.43 C\C(=C/C1=CC=CC=C1)[N+](=O)[O-] S06879 [0,0,1,0,0,0|2,0,1]=4 18 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O SB02005 [0,0,1,0,0,0|1,0,2]=4 19 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 AC29729 [0,0,0,0,1,0|2,1,0]=4 20 B11R1.40 NNC(=O)OC1=CC=CC=C1 DSHS01027 [1,0,1,0,0,0|2,0,0]=4 21 B11R1.40 O=C(NO)NC1=CC=CC=C1 JFD01119 [1,0,1,0,0,0|2,0,0]=4 22 B11R1.86 O=C(O)CC1=CC=CC=C1I NRB00709 [1,0,1,0,0,0|1,0,1]=4 23 B13R1.135 CC(=C/C1=CC=CC=C1)\C(C)=N\O NRB01487 [0,1,1,0,0,0|2,0,0]=4 24 B13R1.135 C\C(=N/O)C(=O)NC1=CC=CC=C1 BTBG00175 [0,1,1,0,0,0|1,0,1]=4 25 B13R1.418 N#C\C(=C/C1=CC=CC=C1)C(=O)O JFD03250 [0,1,1,0,0,0|1,0,0]=3 26 B13R1.418 N#C\C(=C/C1=CC=CC=C1)C(N)=O BTB09600 [0,1,1,0,0,0|2,0,0]=4 27 B13R1.470 O=C(\C=N\O)NC1=C(Cl)C=CC=C1 JA00163 [0,1,1,0,0,0|2,0,0]=4 28 B13R2.32 CC1=COC2=CC=CC=C2C1=O BTB12529 [1,1,0,0,0,0|1,0,0]=3 29 B13R2.32 O=C1C(Br)=COC2=C1C=CC=C2 RF01262 [1,1,0,0,0,0|1,0,0]=3 30 B13R2.32 OC1=C(O)C2=CC=CC=C2N=N1 RF03470 [1,1,0,0,0,0|2,0,0]=4 31 B13R2.57 OCC1=NC2=C(C=CC=C2)C=C1 CC04409 [1,1,0,0,0,0|1,0,1]=4 32 B13R2.162 CC1=NC2=C(Cl)C=CC=C2C=C1 RJC01118 [1,1,0,0,0,0|2,0,0]=4 33 B13R2.162 CC1=NC2=C(I)C=CC=C2C=C1 BTB12804 [1,1,0,0,0,0|2,0,0]=4 34 B13R2.328 CC1=CC(=O)C2=CC=CC=C2O1 JFD02612 [1,1,0,0,0,0|1,0,0]=3 35 B13R2.328 CC1=CC(O)=NC2=C1C=CC=C2 AC12157 [1,1,0,0,0,0|1,0,1]=4 36 B13R2.328 CC1=NC2=C(C=CC=C2)C(O)=C1 BTB01126 [1,1,0,0,0,0|2,0,0]=4 37 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 JFD03657 [1,1,0,0,0,0|2,0,0]=4 38 B13R2.328 OC1=CC(O)=C2C=CC=CC2=N1 AC13220 [1,1,0,0,0,0|1,0,1]=4 39 B13R2.3683 CC1=CC2=CC=C(F)C=C2C=C1 RH01072 [1,1,0,0,0,0|2,0,0]=4 40 B13R2.3683 CC1=CC=C2C=C(F)C=CC2=N1 BTB02593 [1,1,0,0,0,0|2,0,0]=4 41 B13R2.3683 CC1=CC=C2OC(=O)C=CC2=C1 SB00764 [1,1,0,0,0,0|0,0,0]=2 42 B13R2.3683 CC1=NC2=CC=C(Cl)C=C2C=C1 RJC01119 [1,1,0,0,0,0|2,0,0]=4 43 B13R2.45 O=C1C2=CC=CC=C2C\C1=C/O FM00016 [0,1,0,0,1,0|0,0,1]=3 44 B13R2.135 N\N=C1/C(=O)NC2=CC=CC=C21 RH00963 [0,1,0,0,1,0|2,0,0]=4 45 B13R2.135 O=C1NC2=CC=CC=C2\C1=N\O BTB09934 [0,1,0,0,1,0|1,0,0]=3 46 B13R2.3028 CC1=CC2=C(C=C1)NC(=O)C2=O JA00002 [0,1,0,0,1,0|1,0,1]=4 47 B13R2.3028 CC1=CC2=C(C=C1)SC(=O)C2=O KM09178 [0,1,0,0,1,0|0,1,1]=4 48 B13R2.3028 O=C1NC2=C(C=C(Br)C=C2)C1O CD07798 [0,1,0,0,1,0|1,0,1]=4 49 B13R2.3028 O=C1NC2=CC=C(Cl)C=C2C1=O RH00683 [0,1,0,0,1,0|1,0,1]=4 50 B13R2.3028 O=C1NC2=CC=C(F)C=C2C1=O BTB01627 [0,1,0,0,1,0|1,0,1]=4 51 B13R2.3028 O=C1NC2=CC=C(F)C=C2C1O SEW05246 [0,1,0,0,1,0|1,0,1]=4 52 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1O S04335 [0,1,0,0,1,0|1,0,0]=3 53 B15R2.274 CC1=C(C#N)C(=O)NC2=CC=CC=C21 SPB07716 [0,2,0,0,0,0|2,0,0]=4 54 B15R2.274 CC1=C(C#N)C(=O)OC2=CC=CC=C21 JFD03729 [0,2,0,0,0,0|1,0,0]=3 55 B15R2.274 CCC1=C(O)C2=C(C=CC=C2)OC1=O BTB11213 [0,2,0,0,0,0|1,0,0]=3 56 B15R2.274 CCC1=C(O)C2=CC=CC=C2NC1=O RJC01476 [0,2,0,0,0,0|2,0,0]=4 57 B15R2.274 N#CC1=C(O)C2=CC=CC=C2NC1=O BTB12479 [0,2,0,0,0,0|2,0,0]=4 58 B15R2.984 CC(=O)C1=CC2=C(C=CC=C2)OC1=O BTB03234 [0,2,0,0,0,0|0,0,1]=3 59 B15R2.984 O=C(O)C1=CC2=C(C=CC=C2)OC1=O BTB01252 [0,2,0,0,0,0|0,0,0]=2 60 B15R2.984 O=C1OC2=CC=CC=C2C=C1[N+](=O)[O-] BTB06587 [0,2,0,0,0,0|0,0,1]=3 61 B15R2.9032 CC1=C(O)C2=CC=CC=C2N(C)C1=O RJC03345 [0,2,0,0,0,0|2,0,0]=4 62 B15R2.9032 CN1C(=O)C(I)=C(O)C2=CC=CC=C21 NRB05093 [0,2,0,0,0,0|2,0,0]=4 63 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 CC12801 [0,0,1,1,0,0|1,0,0]=3 64 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 CC06601 [0,0,1,1,0,0|0,0,0]=2 65 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 CC12201 [0,0,1,1,0,0|0,1,0]=3 66 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)O1 CC23901 [0,0,1,1,0,0|0,0,2]=4 67 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 JFD03710 [0,0,1,0,1,0|1,0,1]=4 68 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 JFD03933 [0,0,1,0,1,0|0,0,1]=3 69 B11R2.1 O=C1SNC2=CC=CC=C12 BTB03127 [1,0,0,0,1,0|2,0,0]=4 70 B11R2.10 OC1=NC2=C(C=CC=C2)S1 AC40197 [1,0,0,0,1,0|1,1,0]=4