0 B13R1.91 CCC(=O)NC1=C(C=CC=C1)OC PH009614 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.91 CCC1=CC=CC=C1NC(=O)NC S652709 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.91 CCC1=CC=CC=C1NC(=S)NC S900567 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.91 CNC(=O)NC1=CC=CC=C1OC S633925 [0,0,0,0,0,0|2,0,1]=3 4 B13R1.91 CNC(=O)OC1=C(C=CC=C1)OC PH009207 [0,0,0,0,0,0|2,0,1]=3 5 B13R1.91 CNC(C)CC1=C(C=CC=C1)OC PH011732 [0,0,0,0,0,0|0,0,0]=0 6 B13R1.91 COC(=O)CC1=CC=CC=C1OC PH011317 [0,0,0,0,0,0|2,0,1]=3 7 B13R1.91 COC(=O)NC1=C(C=CC=C1)OC S638536 [0,0,0,0,0,0|3,0,1]=4 8 B13R1.91 COC1=C(C=CC=C1)CC(O)CO PH008230 [0,0,0,0,0,0|3,0,0]=3 9 B13R1.91 COC1=CC=CC=C1NC(=O)NO S650277 [0,0,0,0,0,0|3,0,1]=4 10 B12R1.75 C(=O)C1=C(C=CC=C1)OC(C)C CDS002654 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.75 CN(C)CC1=CC=CC=C1C=O CDS011836 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.75 CNC1=NC=CC=C1OC(C)C PH014643 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.75 COC1=C(C=CC=C1)CC(=N)N PH016267 [1,0,0,0,0,0|1,0,1]=3 14 B12R1.75 COC1=C(C=CC=C1)CC(=O)N EME00432 [1,0,0,0,0,0|1,0,1]=3 15 B12R1.75 COC1=CC=CC=C1CN(C)N PH007520 [1,0,0,0,0,0|1,0,0]=2 16 B12R1.75 COC1=CC=CC=C1NC(=O)N S352535 [1,0,0,0,0,0|2,0,1]=4 17 B12R1.75 CSC1=CC=CC=C1CN(C)N PH013334 [1,0,0,0,0,0|1,1,0]=3 18 B12R1.121 C=CCOC1=CC=CC=C1OC S340782 [1,0,0,0,0,0|2,0,1]=4 19 B12R1.121 COC1=C(C=CC=C1)CCCO S97595 [1,0,0,0,0,0|2,0,0]=3 20 B12R1.121 COC1=C(C=CC=C1)OCCN CDS000191 [1,0,0,0,0,0|3,0,0]=4 21 B12R1.121 COC1=C(C=CC=C1)OCCN PH009790 [1,0,0,0,0,0|3,0,0]=4 22 B12R1.121 COC1=CC=CC=C1CCCBr PH009801 [1,0,0,0,0,0|2,0,0]=3 23 B12R1.121 COC1=CC=CC=C1CCCN CDS008328 [1,0,0,0,0,0|2,0,0]=3 24 B12R1.121 COC1=CC=CC=C1OCCCl R549363 [1,0,0,0,0,0|3,0,0]=4 25 B12R1.371 CNC(=O)NC1=C(C=CC=C1)C S606529 [1,0,0,0,0,0|2,0,1]=4 26 B12R1.371 CNC(=S)NC1=C(C=CC=C1)C PH010050 [1,0,0,0,0,0|2,0,1]=4 27 B12R1.371 CNC(C)CC1=NC=CC=C1C PH015005 [1,0,0,0,0,0|1,0,0]=2 28 B12R1.371 NNC(=O)CC1=CC=CC=C1O S668850 [1,0,0,0,0,0|2,0,1]=4 29 B14R1.483 CCOC1=C(C=CC=C1)NC(=S)NC TMT00085 [0,1,0,0,0,0|2,0,1]=4 30 B14R1.965 CCNC(=O)NC1=CC=CC=C1OC S634085 [0,1,0,0,0,0|2,0,1]=4 31 B14R1.965 CCNC(=O)NC1=CC=CC=C1OC S710415 [0,1,0,0,0,0|2,0,1]=4 32 B14R1.965 CCNC(=S)NC1=C(C=CC=C1)OC TMT00084 [0,1,0,0,0,0|2,0,1]=4 33 B14R1.2000 CNS(=O)(=O)OC1=C(C=CC=C1)OC PH008064 [0,1,0,0,0,0|3,0,0]=4 34 B14R1.3135 COC1=C(C=CC=C1)C[C@H](N)C(=O)O BBO000410 [0,1,0,0,0,0|3,0,0]=4 35 B14R1.3135 COC1=C(C=CC=C1)NC(=O)N(C)C S597619 [0,1,0,0,0,0|2,0,1]=4 36 B14R1.3135 COC1=C(C=CC=C1)NC(=S)N(C)C S547530 [0,1,0,0,0,0|2,0,1]=4 37 B14R1.3135 COC1=CC=CC=C1CC(C)C(=O)O PH010638 [0,1,0,0,0,0|2,0,0]=3 38 B14R1.3995 CNC(=O)NC1=CC=CC(=C1OC)Cl S917117 [0,1,0,0,0,0|2,0,1]=4 39 B14R2.2968 COC1=CC=CC=C1CC2(CC2)N PH019042 [0,0,0,1,0,0|2,0,0]=3 40 B14R2.8188 CC1NC2=C(C=CC=C2)C(=O)N1C PH008318 [0,0,0,1,0,0|3,0,0]=4 41 B12R1.77 CC[C@H](N)C1=CC=CC=C1OC CDS015715 [0,0,0,0,1,0|2,0,0]=3 42 B12R1.77 CNC(=O)C1=CC=CC=C1NC PH013025 [0,0,0,0,1,0|2,0,1]=4 43 B12R1.77 CNC(=S)C1=CC=CC=C1NC PH007472 [0,0,0,0,1,0|2,0,1]=4 44 B12R1.77 COC1=CC=CC=C1/C(=N\O)/C S681385 [0,0,0,0,1,0|1,0,2]=4 45 B12R1.77 COC1=CC=CC=C1C(=O)NN S550388 [0,0,0,0,1,0|2,0,1]=4 46 B14R1.863 COC1=CC=CC=C1NCC(O)CO PH007756 [0,0,0,0,0,1|3,0,0]=4 47 B11R1.41 CCC1=CC=CC=C1CCN PH016764 [2,0,0,0,0,0|1,0,0]=3 48 B11R1.41 CCC1=CC=CC=C1CCO T175994 [2,0,0,0,0,0|2,0,0]=4 49 B11R1.41 CCNC1=NC=CC=C1OC VBP00022 [2,0,0,0,0,0|2,0,0]=4 50 B11R1.41 COC1=CC=CC=C1CSC S697931 [2,0,0,0,0,0|1,0,0]=3 51 B11R1.86 CC(C)OC1=CC=CC=C1N CDS002647 [2,0,0,0,0,0|2,0,0]=4 52 B11R1.86 CC(C)SC1=CC=CC=C1N CBR00953 [2,0,0,0,0,0|2,0,0]=4 53 B11R1.86 CC(C)SC1=CC=CC=C1N PH010950 [2,0,0,0,0,0|2,0,0]=4 54 B11R1.86 CC1=C(C=CC=C1)CN(C)C T333018 [2,0,0,0,0,0|1,0,0]=3 55 B11R1.86 CN(C)CC1=CC=CC=C1O CDS000342 [2,0,0,0,0,0|1,0,0]=3 56 B11R1.86 CN(N)CC1=CC=CC=C1Cl PH001191 [2,0,0,0,0,0|2,0,0]=4 57 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [2,0,0,0,0,0|1,0,1]=4 58 B11R1.17 C/C=C/CC1=CC=CC=C1O PH015920 [2,0,0,0,0,0|1,0,1]=4 59 B11R1.17 CCCCC1=C(C=CC=C1)N CDS000462 [2,0,0,0,0,0|2,0,0]=4 60 B11R1.17 COCCC1=CC=CC=C1Br S809608 [2,0,0,0,0,0|2,0,0]=4 61 B11R1.40 CC(CC1=CC=CC=C1)NN PH000293 [2,0,0,0,0,0|1,0,0]=3 62 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [2,0,0,0,0,0|2,0,0]=4 63 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [2,0,0,0,0,0|2,0,0]=4 64 B11R1.40 CNC(C)CC1=NC=CC=C1 CBR00462 [2,0,0,0,0,0|1,0,0]=3 65 B13R1.89 COC1=C(C=CC=C1)C(=O)N(C)C EME00399 [1,1,0,0,0,0|1,0,1]=4 66 B13R1.89 COC1=CC=CC=C1C(=O)C(C)C S108707 [1,1,0,0,0,0|0,0,1]=3 67 B13R1.380 CCSC1=CC=CC=C1CN(C)N PH001243 [1,1,0,0,0,0|1,1,0]=4 68 B13R1.3089 COC1=CC=C(C=C1CC(=O)C)Br PH014737 [1,1,0,0,0,0|1,0,1]=4 69 B13R1.84 COC1=C(C=CC=C1)NCCC#N PH000221 [1,1,0,0,0,0|2,0,0]=4 70 B13R1.84 COC1=C(C=CC=C1)OCCCBr PH000249 [1,1,0,0,0,0|2,0,0]=4 71 B13R1.84 COC1=CC=CC=C1OCCCN VBP00013 [1,1,0,0,0,0|2,0,0]=4 72 B13R1.90 COC1=C(C=CC=C1)OCC(C)O PH011169 [1,1,0,0,0,0|2,0,0]=4 73 B13R1.90 COC1=CC=CC=C1CCC(C)N PH018528 [1,1,0,0,0,0|1,0,0]=3 74 B13R1.92 COC1=NC=CC=C1C(OC)OC ADE000302 [0,1,0,0,1,0|2,0,0]=4 75 B15R1.768 CNCC(=O)NCC1=C(C=CC=C1)OC PH014813 [0,1,0,0,0,1|1,0,1]=4 76 B13R2.163 OC1CCCC2=C(C1)C=CC=C2 S58158 [1,0,0,1,0,0|2,0,0]=4 77 B13R2.222 CC1(CNC2=CC=CC=C2N1)C OTV000781 [1,0,0,1,0,0|2,0,0]=4 78 B13R2.222 CC1(CNC2=CC=CC=C2O1)C VBP00113 [1,0,0,1,0,0|2,0,0]=4 79 B13R2.222 CC1(CNC2=CC=CC=C2S1)C VBP00119 [1,0,0,1,0,0|2,0,0]=4 80 B13R2.222 C[N+]1(CCC2=C(C1)C=CC=C2)C S882763 [1,0,0,1,0,0|2,0,0]=4 81 B13R2.33 CC1COC2=C(C=CC=C2)CN1 CDS024592 [1,0,0,1,0,0|2,0,0]=4 82 B13R2.67 C1=CC=C2CCCCCCC2=C1 T170933 [1,0,0,1,0,0|2,0,0]=4 83 B13R2.573 COC1=C2CCC(C2=CC=C1)N CDS020987 [1,0,0,1,0,0|2,0,0]=4 84 B13R2.5252 CN1CCCCC2=CC=CC=C12 T167851 [1,0,0,1,0,0|2,0,0]=4 85 B13R2.369 CC1=NC2=CC=CC=C2CN1C PH013505 [1,0,0,1,0,0|1,0,1]=4 86 B13R2.369 CC1CC2=CC=CC=C2OC1=O T217115 [1,0,0,1,0,0|2,0,0]=4 87 B13R2.4825 N1C2=C(C=CC=C2C)C(C1C)C S356670 [1,0,0,1,0,0|2,0,0]=4 88 B13R2.91 COC1=C(C=CC=C1)C2(CC2)N OTV000617 [0,0,0,1,1,0|2,0,0]=4 89 B15R2.1601 CNC(C)C1COC2=CC=CC=C2O1 CBR02238 [0,0,0,1,0,1|0,0,0]=2 90 B15R2.2310 COC1=CCC2=C(C1)C=CC=C2OC PH009397 [0,0,0,1,0,1|1,0,1]=4 91 B15R2.4930 COC1=CC=CC=C1NC(C)C2CC2 S300039 [0,1,0,1,0,0|2,0,0]=4 92 B15R2.1237 CN(C)C1CCCC2=CC=CC=C2C1 PH013347 [0,1,0,1,0,0|1,0,0]=3 93 B15R2.4961 COC1=C(C=CC=C1)[C@@H]2C[C@H]2C(=O)O PH015949 [0,1,0,1,0,0|2,0,0]=4 94 B11R1.53 CC(C)C1=CC=CC=C1C=O CDS004427 [1,0,0,0,1,0|2,0,0]=4 95 B11R1.53 COC1=CC=CC=C1C(=N)N PH017180 [1,0,0,0,1,0|1,0,1]=4 96 B11R1.53 COC1=CC=CC=C1C(=O)N S534935 [1,0,0,0,1,0|1,0,1]=4 97 B11R1.53 COC1=CC=CC=C1C(C)N CDS019753 [1,0,0,0,1,0|0,0,0]=2 98 B11R1.53 COC1=CC=CC=C1C(C)N R733547 [1,0,0,0,1,0|0,0,0]=2 99 B11R1.222 CNC(=O)C1=CC=CC=C1C PH005184 [1,0,0,0,1,0|1,0,1]=4