0 B12R2.612 CC1=CC=C2C(=C1)CCC2N CDS003487 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 CDS002180 [0,0,0,0,0,0|2,0,1]=3 2 B12R2.612 O=C1CCC2=C1C=CC(=C2)S T285463 [0,0,0,0,0,0|3,0,1]=4 3 B12R2.612 O=C1NCC2=CC(=CC=C12)Br CDS009180 [0,0,0,0,0,0|2,1,1]=4 4 B12R2.612 OC1=NNC2=C1C=CC(=C2)Br CDS022567 [0,0,0,0,0,0|3,1,0]=4 5 B12R2.612 OC1=NOC2=C1C=CC(=C2)Cl CDS017027 [0,0,0,0,0,0|3,1,0]=4 6 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [1,0,0,0,0,0|2,0,1]=4 7 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [1,0,0,0,0,0|2,0,1]=4 8 B11R2.36 BrC1=CC2=NON=C2C=C1 CDS014497 [1,0,0,0,0,0|2,1,0]=4 9 B11R2.36 BrC1=CC=C2CNCC2=C1 CDS019338 [1,0,0,0,0,0|2,1,0]=4 10 B11R2.36 CC1=CC2=C(C=C1)NCC2 CDS000231 [1,0,0,0,0,0|3,0,0]=4 11 B11R2.36 ClC1=CC2=C(C=C1)NCC2 CDS003126 [1,0,0,0,0,0|2,1,0]=4 12 B11R2.36 FC1=CC2=C(C=C1)NCC2 CDS005250 [1,0,0,0,0,0|2,0,0]=3 13 B11R2.36 FC1=CC2=C(C=C1)OC=N2 CDS022749 [1,0,0,0,0,0|3,0,0]=4 14 B11R2.36 FC1=CC=C2C=NNC2=C1 CDS006466 [1,0,0,0,0,0|3,0,0]=4 15 B11R2.36 FC1=CC=C2CCNC2=C1 CDS008960 [1,0,0,0,0,0|3,0,0]=4 16 B11R2.36 FC1=CC=C2NC=NC2=C1 CDS008386 [1,0,0,0,0,0|3,0,0]=4 17 B11R2.36 IC1=CC=C2OCCC2=C1 CDS003452 [1,0,0,0,0,0|2,1,0]=4 18 B11R2.36 IC1=CC=C2OCCC2=C1 SYX00284 [1,0,0,0,0,0|2,1,0]=4 19 B11R2.36 NC1=CC2=C(C=C1)CCC2 T167487 [1,0,0,0,0,0|3,0,0]=4 20 B11R2.36 NC1=CC=C2NCCC2=C1 CDS019734 [1,0,0,0,0,0|3,0,0]=4 21 B11R2.36 OC1=CC2=NON=C2C=C1 CDS016098 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.22 CCC(N)C1=CC=C(C=C1)F CDS005688 [0,0,1,0,0,0|3,0,0]=4 23 B11R1.22 CCC(O)C1=CC=C(C=C1)Br S434892 [0,0,1,0,0,0|2,1,0]=4 24 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl S434884 [0,0,1,0,0,0|2,1,0]=4 25 B11R1.22 CCC(O)C1=CC=C(C=C1)F S434876 [0,0,1,0,0,0|2,0,0]=3 26 B11R1.22 CC[C@@H](O)C1=CC=C(C=C1)Cl PH018690 [0,0,1,0,0,0|2,1,0]=4 27 B11R1.22 CC[C@H](O)C1=CC=C(C=C1)Cl PH018691 [0,0,1,0,0,0|2,1,0]=4 28 B11R1.22 CNC(=O)C1=CC=C(C=C1)F PH011769 [0,0,1,0,0,0|2,0,1]=4 29 B11R1.24 NNCCC1=CC(=CC=C1)F PH019005 [0,0,1,0,0,0|3,0,0]=4 30 B11R1.24 OCCCC1=CC=CC(=C1)Cl PH002730 [0,0,1,0,0,0|2,1,0]=4 31 B11R1.37 COC1=CC=C(C=C1CO)F CDS020828 [0,0,1,0,0,0|2,0,0]=3 32 B11R1.166 CC1=C(C=NC(=C1)Br)B(O)O BCH00010 [0,0,1,0,0,0|1,1,0]=3 33 B11R1.166 CC1=CC(=CC=C1B(O)O)O CDS020052 [0,0,1,0,0,0|1,0,0]=2 34 B11R1.166 CC1=NC(=C(C=C1)B(O)O)F CDS021959 [0,0,1,0,0,0|3,0,0]=4 35 B11R1.166 CC1=NC(=CC=C1B(O)O)Cl CDS022462 [0,0,1,0,0,0|1,1,0]=3 36 B11R1.166 C[C@@H](O)C1=CC=C(C=C1Cl)F CDS023126 [0,0,1,0,0,0|3,0,0]=4 37 B11R1.166 C[C@H](O)C1=CC=C(C=C1Cl)F CDS023125 [0,0,1,0,0,0|3,0,0]=4 38 B11R1.166 OB(O)C1=C(C=C(C=C1)F)Cl CDS003472 [0,0,1,0,0,0|1,0,0]=2 39 B11R1.166 OB(O)C1=CC=C(C=C1F)Br SYX00006 [0,0,1,0,0,0|1,1,0]=3 40 B11R1.166 OB(O)C1=CC=C(C=C1F)Cl BML00162 [0,0,1,0,0,0|1,1,0]=3 41 B11R1.166 OB(O)C1=CC=C(N=C1Cl)Cl CDS007852 [0,0,1,0,0,0|2,1,0]=4 42 B11R1.166 OB(O)C1=CC=C(N=C1F)F CDS020044 [0,0,1,0,0,0|2,0,0]=3 43 B13R2.3683 O=C1NC2=CC=C(C=C2CO1)Br PHB00124 [0,0,0,0,0,1|1,1,1]=4 44 B13R2.5179 OC1=CC=NC2=CC(=CC=C12)F BBO000050 [0,0,0,0,0,1|2,0,1]=4 45 B10R1.1 CCOC1=CC=C(C=C1)F S362093 [1,0,1,0,0,0|2,0,0]=4 46 B10R1.1 COCC1=CC=C(C=C1)O S392596 [1,0,1,0,0,0|2,0,0]=4 47 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [1,0,1,0,0,0|2,0,0]=4 48 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [1,0,1,0,0,0|2,0,0]=4 49 B10R1.13 CC1=CC=C(C=N1)B(O)O CDS020001 [1,0,1,0,0,0|2,0,0]=4 50 B10R1.13 OB(O)C1=CC=C(C=N1)Cl CDS002921 [1,0,1,0,0,0|1,1,0]=4 51 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [1,0,1,0,0,0|2,0,0]=4 52 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [1,0,1,0,0,0|2,0,0]=4 53 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [1,0,1,0,0,0|1,0,1]=4 54 B10R1.10 FC1=CC=CC(=C1)CCBr CDS000178 [1,0,1,0,0,0|2,0,0]=4 55 B10R1.10 NNCC1=CC(=CC=C1)F PHB00030 [1,0,1,0,0,0|2,0,0]=4 56 B10R1.10 ON=CC1=CC=CC(=C1)F S550558 [1,0,1,0,0,0|1,0,1]=4 57 B10R1.20 C=CC1=C(C=CC=C1)CO R751626 [1,0,1,0,0,0|2,0,0]=4 58 B10R1.20 CSC1=CC=CC=C1CO PH002490 [1,0,1,0,0,0|2,0,0]=4 59 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [1,0,1,0,0,0|2,0,0]=4 60 B10R1.25 OCC1=C(C=C(C=C1)F)Br CDS021543 [1,0,1,0,0,0|2,0,0]=4 61 B10R1.30 CC1=C(C=C(C=C1)F)CO CDS010632 [1,0,1,0,0,0|1,0,0]=3 62 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [1,0,1,0,0,0|2,0,0]=4 63 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [1,0,1,0,0,0|1,1,0]=4 64 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [1,0,1,0,0,0|2,0,0]=4 65 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [1,0,1,0,0,0|1,1,0]=4 66 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [1,0,1,0,0,0|1,0,0]=3 67 B10R1.30 FC1=CC=C(C(=C1)CBr)Br CDS003096 [1,0,1,0,0,0|2,0,0]=4 68 B10R1.30 NCC1=CC(=CC=C1O)F CDS015898 [1,0,1,0,0,0|1,0,0]=3 69 B10R1.30 OCC1=CC(=CC=C1Br)Cl CDS022960 [1,0,1,0,0,0|1,1,0]=4 70 B10R1.30 OCC1=CC(=CC=C1O)Cl S548480 [1,0,1,0,0,0|0,1,0]=3 71 B10R1.30 OCC1=CC(=CN=C1Cl)F ADE000404 [1,0,1,0,0,0|2,0,0]=4 72 B10R1.61 CC1=C(C=CC=N1)B(O)O BML00230 [1,0,1,0,0,0|1,0,0]=3 73 B10R1.61 CC1=C(C=NC=C1)B(O)O BML00295 [1,0,1,0,0,0|1,0,0]=3 74 B10R1.61 CC1=C(C=NC=C1)B(O)O CDS003860 [1,0,1,0,0,0|1,0,0]=3 75 B10R1.61 CC1=NC=CC=C1B(O)O CDS019614 [1,0,1,0,0,0|1,0,0]=3 76 B10R1.61 OB(O)C1=C(C=NC=C1)F CDS007991 [1,0,1,0,0,0|2,0,0]=4 77 B10R1.61 OB(O)C1=CC=CC=C1O CDS000901 [1,0,1,0,0,0|1,0,0]=3 78 B10R1.61 OB(O)C1=CN=CC=C1Cl CDS023251 [1,0,1,0,0,0|2,0,0]=4 79 B12R1.12 CO[Bi](OC)C1=CC=C(C=C1)Cl S839809 [0,1,1,0,0,0|1,1,0]=4 80 B12R1.16 CCCC(O)C1=CC=C(C=C1)F S447226 [0,1,1,0,0,0|2,0,0]=4 81 B12R1.1703 COC(=O)C1=CC=C(C=C1N)F CDS023419 [0,1,1,0,0,0|1,0,1]=4 82 B12R1.1703 COC(=O)C1=CC=C(C=C1O)F JRD0834 [0,1,1,0,0,0|1,0,1]=4 83 B12R1.57 CSC1=CC(=CC=C1B(O)O)F CDS024274 [0,1,1,0,0,0|2,0,0]=4 84 B12R1.57 N#CC1=CC(=CC=C1B(O)O)F CDS023819 [0,1,1,0,0,0|1,0,1]=4 85 B12R1.126 CC1=CC=C(C(=C1)C)P(=O)(O)O S915718 [0,1,1,0,0,0|2,0,0]=4 86 B12R1.232 CC1=CC(=C(C=C1C(=O)O)F)F CDS013819 [0,1,1,0,0,0|1,0,1]=4 87 B12R1.452 COC1=CC=C(C(=C1)Cl)B(O)O BML00253 [0,1,1,0,0,0|2,0,0]=4 88 B12R1.452 COC1=CC=C(C(=C1)F)B(O)O ANV00229 [0,1,1,0,0,0|2,0,0]=4 89 B12R1.452 N#CC1=CC=C(C(=C1)F)B(O)O BML00195 [0,1,1,0,0,0|2,0,0]=4 90 B12R1.893 CC1=C(C(=CC=C1C(=O)O)F)Cl PH017348 [0,1,1,0,0,0|1,0,1]=4 91 B12R1.1000 CC1=C(C(=CC(=C1)F)I)C(=O)O L511900 [0,1,1,0,0,0|1,0,1]=4 92 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [1,1,0,0,0,0|2,0,0]=4 93 B12R2.132 NC1=CC2=C(C=C1)COC2=O S745197 [1,1,0,0,0,0|1,0,1]=4 94 B12R2.203 O=C1OCC2=C1C(=CC=C2)F S17389 [1,1,0,0,0,0|1,0,1]=4 95 B12R2.2028 CC1OC(=O)C2=C1C=CC=C2 PH010378 [1,1,0,0,0,0|1,0,1]=4 96 B12R2.2403 O=S1(=O)OCC2=C1C=CC=C2 S438103 [1,1,0,0,0,0|1,0,1]=4 97 B12R2.24 NC1=CC2=C(C=C1)OCOC2 TMT00023 [0,0,1,1,0,0|2,0,0]=4 98 B10R1.59 CC1=CC(=C(S1)C)B(O)O BCH00023 [0,0,1,0,1,0|2,0,0]=4 99 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [1,0,0,0,1,0|1,0,1]=4