0 B12R1.125 CC(=O)NCC1=CC=CC=C1Br NRB00715 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.125 CC(O)\C=C\C1=[N+](C)C=CC=C1 JFD01143 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.125 O=[N+]([O-])\C=C\C1=CC=CC=C1Cl S01393 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.91 NC(=O)COC1=CC=CC=C1 SPB04334 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.91 NC(=O)NNC1=CC=CC=C1 S14722 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.91 O=C(O)CCC1=CC=CN=C1 HTS01877 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.91 O=C(O)CSC1=NC=CC=C1 BTB05540 [1,0,0,0,0,0|2,0,1]=4 7 B13R1.90 COC1=C(CCC(=O)O)C=CC=C1 BTB02522 [0,1,0,0,0,0|0,0,2]=3 8 B13R1.90 COC1=CC=CC=C1OCC(N)=O SPB08038 [0,1,0,0,0,0|2,0,1]=4 9 B13R1.150 CC1=C(SCC(=O)O)C=CC=C1Cl BTB08831 [0,1,0,0,0,0|2,0,1]=4 10 B13R1.150 O=C(O)CSC1=C(Cl)C(Cl)=CC=C1 BTB08713 [0,1,0,0,0,0|2,0,1]=4 11 B13R1.164 O=C(O)CCC1=CC=C(Cl)C=C1Cl SEW04678 [0,1,0,0,0,0|1,0,2]=4 12 B13R1.164 O=C(O)CSC1=CC=C(Cl)C=C1Cl BTB08747 [0,1,0,0,0,0|2,0,1]=4 13 B13R1.164 O=C(O)CSC1=CC=C(F)C=C1Cl BTB08730 [0,1,0,0,0,0|2,0,1]=4 14 B13R1.164 O=[N+]([O-])\C=C\C1=CC=C(Cl)C=C1Cl S01394 [0,1,0,0,0,0|2,0,1]=4 15 B13R1.202 C\C(=C/C1=CC=CC=C1Cl)[N+](=O)[O-] S03994 [0,1,0,0,0,0|2,0,1]=4 16 B13R1.3787 CC1=NC=CC(O)=C1OCC(=O)O RF01266 [0,1,0,0,0,0|2,0,1]=4 17 B13R1.3787 O=[N+]([O-])\C=C\C1=C(Cl)C=CC=C1Cl S01398 [0,1,0,0,0,0|2,0,1]=4 18 B13R1.3787 O=[N+]([O-])\C=C\C1=C(F)C=CC=C1Cl S09275 [0,1,0,0,0,0|2,0,1]=4 19 B13R2.435 CC(=O)C1=NC2=CC=CC=C2S1 SEW02805 [0,0,0,1,0,0|2,1,0]=4 20 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 CC12801 [0,0,0,1,0,0|1,0,0]=2 21 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 CC06601 [0,0,0,1,0,0|0,0,0]=1 22 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 CC12201 [0,0,0,1,0,0|0,1,0]=2 23 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)C1 KM06597 [0,0,0,1,0,0|1,0,2]=4 24 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)N1 BTB14322 [0,0,0,1,0,0|1,0,2]=4 25 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)O1 CC23901 [0,0,0,1,0,0|0,0,2]=3 26 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 NRB00708 [0,0,0,0,1,0|3,0,0]=4 27 B11R1.86 CC(=O)NC1=C(F)C=CC=C1 SPB06387 [0,0,0,0,1,0|3,0,0]=4 28 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 NRB00707 [0,0,0,0,1,0|3,0,0]=4 29 B11R1.86 O=C(O)CC1=CC=CC=C1I NRB00709 [0,0,0,0,1,0|1,0,1]=3 30 B13R1.158 NC(=O)N\N=C\C1=CC=CC=C1Cl RDR00524 [0,0,0,0,0,1|3,0,0]=4 31 B13R1.158 NC(=S)N\N=C\C1=CC=CC=C1O CD02771 [0,0,0,0,0,1|2,1,0]=4 32 B13R1.158 O=C(O)CCNC1=CC=CC=C1Cl RH00850 [0,0,0,0,0,1|1,0,2]=4 33 B12R1.21 CC(=O)\C=C/C1=CC=[N+](C)C=C1 BTB12919 [1,1,0,0,0,0|2,0,0]=4 34 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 BTB14159 [1,1,0,0,0,0|0,0,2]=4 35 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 RJC00256 [1,1,0,0,0,0|1,0,1]=4 36 B12R1.21 CC1=CC=C(\C=C\[N+](=O)[O-])C=C1 S01418 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 RF00560 [1,1,0,0,0,0|1,0,1]=4 38 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 KM09206 [1,1,0,0,0,0|1,0,1]=4 39 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(Cl)C=C1 S03529 [1,1,0,0,0,0|1,0,1]=4 40 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(F)C=C1 S11468 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.27 CC(\C=C\C1=CC=CC=C1)=N/O EN00218 [1,1,0,0,0,0|1,0,0]=3 42 B12R1.27 COC(=O)NCC1=CC=CC=C1 JFD01099 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.43 C\C(=C/C1=CC=CC=C1)[N+](=O)[O-] S06879 [1,1,0,0,0,0|1,0,1]=4 44 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O SB02005 [1,1,0,0,0,0|0,0,2]=4 45 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 CD06497 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 RH01533 [1,1,0,0,0,0|0,0,2]=4 47 B12R1.226 O=[N+]([O-])\C=C\C1=CC=CC(Cl)=C1 S05525 [1,1,0,0,0,0|1,0,1]=4 48 B12R1.226 O=[N+]([O-])\C=C\C1=CC=CC(F)=C1 S14126 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.891 NS(=O)(=O)\C=C\C1=CC=CC=C1 CD01301 [1,1,0,0,0,0|1,0,1]=4 50 B12R1.75 COC1=CC=CC=C1NC(N)=O JA00157 [0,1,0,0,1,0|2,0,0]=4 51 B12R1.124 O=C(O)C(O)C1=C(Cl)C=CC=C1 RDR03335 [0,1,0,0,1,0|1,0,1]=4 52 B14R1.160 C\C(=N/NC(N)=O)C1=CC=CC=C1O S10164 [0,1,0,0,0,1|2,0,0]=4 53 B14R1.160 O=C(O)CNC(=O)C1=CC=CC=C1Cl RJC02443 [0,1,0,0,0,1|1,0,1]=4 54 B14R1.161 CC(NCC1=C(O)C=CC=C1)C(=O)O RH00576 [0,1,0,0,0,1|0,0,2]=4 55 B14R1.482 CCOC1=CC=CC=C1CCC(=O)O XBX00227 [0,2,0,0,0,0|0,0,2]=4 56 B14R1.1865 COC1=C(\C=C\[N+](=O)[O-])C=C(Br)C=C1 S01894 [0,2,0,0,0,0|1,0,1]=4 57 B14R1.4522 O=C(O)CNC1=C(C(=O)O)C=CC=C1 JFD03681 [0,2,0,0,0,0|1,0,1]=4 58 B14R1.4522 O=C(O)CSC1=CC=CC=C1C(=O)O BTB07338 [0,2,0,0,0,0|1,0,1]=4 59 B14R1.550 N#C\C(=C/C1=C(Cl)C=CC=C1)C(N)=O DP00523 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.258 O=C(O)C1=CC=CC(C(=O)O)=N1 SB01598 [0,0,1,1,0,0|2,0,0]=4 61 B12R1.258 O=C(O)C1=CN=CC(C(=O)O)=C1 BTB09654 [0,0,1,1,0,0|2,0,0]=4 62 B12R2.24 O=C1COC2=CC=CC=C2O1 RH00750 [1,0,0,1,0,0|1,0,1]=4 63 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 MWP00042 [1,0,0,1,0,0|1,0,1]=4 64 B12R2.252 O=C(O)C1=CC2=C(C=CS2)S1 SEW01931 [0,0,0,1,1,0|1,1,0]=4 65 B12R2.252 O=C(O)C1=CC2=C(SC=C2)S1 SEW01633 [0,0,0,1,1,0|1,1,0]=4 66 B14R2.256 CC1=CC=C(C2=C(N)C=CC=C2)O1 JFD03365 [0,0,0,1,0,1|2,0,0]=4 67 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 CC04701 [0,0,0,1,0,1|1,0,0]=3 68 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 CC24101 [0,0,0,1,0,1|1,0,1]=4 69 B14R2.781 O=C(O)C1=CC2=CC=CN=C2C=C1 CC04501 [0,0,0,1,0,1|2,0,0]=4 70 B14R2.781 O=C(O)C1=NC2=C(C=CC=C2)C=C1 CC04401 [0,0,0,1,0,1|1,0,0]=3 71 B14R2.781 O=C(O)C1CCC2=CC=CC=C2O1 RJC01246 [0,0,0,1,0,1|0,0,2]=4 72 B14R2.781 O=C(O)C1COC2=CC=CC=C2O1 CC01501 [0,0,0,1,0,1|0,0,2]=4 73 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 RH01882 [0,1,0,1,0,0|1,0,1]=4 74 B14R2.2 O=C(O)CC1=CSC2=C1C=CC=C2 S11080 [0,1,0,1,0,0|0,1,1]=4 75 B14R2.2 O=C(O)CC1=NOC2=CC=CC=C21 KM10833 [0,1,0,1,0,0|0,0,1]=3 76 B14R2.52 O=C1COC2=CC=CC=C2C(=O)N1 BTB12993 [0,1,0,1,0,0|2,0,0]=4 77 B14R2.450 CC(=O)C1=C(C)C2=C(C=CC=C2)S1 MWP00008 [0,1,0,1,0,0|1,1,0]=4 78 B14R2.450 NC(=O)C1=C(Cl)C2=C(C=CC=C2)S1 BTB07540 [0,1,0,1,0,0|1,1,0]=4 79 B14R2.450 NC1=C(C(=O)O)SC2=C1C=CC=N2 MO00759 [0,1,0,1,0,0|1,1,0]=4 80 B14R2.4529 CC(=O)C1=CC2=C(C=CC(Cl)=C2)O1 DP02005 [0,1,0,1,0,0|1,0,0]=3 81 B14R2.4529 CC1=CC2=C(C=C1)SC(C(=O)O)=C2 MO00911 [0,1,0,1,0,0|0,1,0]=3 82 B14R2.4529 CC1=CC=C2NC(C(=O)O)=CC2=C1 JFD03921 [0,1,0,1,0,0|1,0,0]=3 83 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 RH01182 [0,1,0,1,0,0|1,0,0]=3 84 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)S1 BTB07526 [0,1,0,1,0,0|0,1,0]=3 85 B14R2.972 C\C(=N/O)C1=CC2=C(C=CC=C2)O1 BTB04227 [0,1,0,1,0,0|1,0,0]=3 86 B14R2.972 NNC(=O)C1=CC2=C(C=CC=C2)S1 BTB04184 [0,1,0,1,0,0|1,1,0]=4 87 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 RDP00161 [0,0,0,0,2,0|2,0,0]=4 88 B10R1.61 O=C(O)C1=CC=CC=C1I BTB05694 [0,0,0,0,2,0|1,0,0]=3 89 B10R1.61 O=C(O)C1=CC=CN=C1S SB00659 [0,0,0,0,2,0|1,1,0]=4