0 B14R1.160 O=C(O)CNC(=O)C1=C(Cl)C=CC=C1 DY530181 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.45 CC(=O)OCC(=O)C1=CC=CN=C1 DY656085 [1,0,0,0,0,0|3,0,0]=4 2 B13R1.45 CC(O)CCC(=O)C1=CC=CC=C1 NO14046 [1,0,0,0,0,0|1,0,1]=3 3 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 DY628131 [1,0,0,0,0,0|1,0,1]=3 4 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 NO22116 [1,0,0,0,0,0|0,0,0]=1 5 B13R1.45 O=C(O)CCC(=O)C1=CC=NC=C1 DY658752 [1,0,0,0,0,0|1,0,0]=2 6 B13R1.45 O=C(O)CNC(=O)C1=CC=NC=C1 DY703123 [1,0,0,0,0,0|2,0,0]=3 7 B13R1.45 O=C(O)CNC(=O)C1=NC=CC=C1 DY656133 [1,0,0,0,0,0|2,0,0]=3 8 B13R1.158 O=C(O)CCNC1=C(F)C=CC=C1 DY794985 [1,0,0,0,0,0|2,0,0]=3 9 B15R1.124 O=C(O)CCC(=O)C1=C(Br)C(F)=CC=C1 DY429655 [0,1,0,0,0,0|1,0,0]=2 10 B15R2.6 O=C(O)CCC1=CNC2=CC=CC=C12 DY10291 [0,0,0,1,0,0|2,0,0]=3 11 B15R2.6 O=C(O)CCC1=CSC2=C1C=CC=C2 DY793701 [0,0,0,1,0,0|1,1,0]=3 12 B15R2.6 O=C(O)CCN1C=NC2=C1C=CC=C2 DY525345 [0,0,0,1,0,0|3,0,0]=4 13 B15R2.629 O=C(O)CN1CC2=NC=CC=C2C1=O DY714824 [0,0,0,1,0,0|3,0,0]=4 14 B15R2.14951 CN1CC(C(=O)O)OC2=C1C=CC=C2 DY607665 [0,0,0,1,0,0|2,0,0]=3 15 B15R2.14951 O=C(Cl)C1=CC(=O)C2=CC=CC=C2O1 DY754741 [0,0,0,1,0,0|1,0,2]=4 16 B15R2.14951 O=C(O)C1=CC(=O)C2=CC=CC=C2O1 NO10056 [0,0,0,1,0,0|0,0,2]=3 17 B13R1.201 CC1=C([C@@H](N)CC(=O)O)C=CC=C1 NO20342 [0,0,0,0,1,0|2,0,1]=4 18 B13R1.201 NC(CC(=O)O)C1=C(Cl)C=CC=C1 DY460986 [0,0,0,0,1,0|2,0,1]=4 19 B13R1.201 NC(CC(=O)O)C1=C(F)C=CC=C1 DY429426 [0,0,0,0,1,0|2,0,1]=4 20 B13R1.201 NC(CC(=O)O)C1=C(O)C=CC=C1 DY702673 [0,0,0,0,1,0|1,0,1]=3 21 B13R1.201 N[C@@H](CC(=O)O)C1=C(Br)C=CC=C1 DY701845 [0,0,0,0,1,0|2,0,1]=4 22 B12R1.30 O=C(CCCO)C1=CC=CN=C1 DY713917 [2,0,0,0,0,0|1,0,1]=4 23 B12R1.252 O=C(O)CCCC1=CC=NC=C1 DY503007 [2,0,0,0,0,0|1,0,1]=4 24 B12R1.252 O=C(O)CCCC1=NC=CC=C1 NO12802 [2,0,0,0,0,0|1,0,1]=4 25 B12R1.252 O=C(O)CNCC1=CC=CC=C1 NO21182 [2,0,0,0,0,0|1,0,1]=4 26 B12R1.252 O=C(O)COCC1=CC=CC=C1 NO14115 [2,0,0,0,0,0|1,0,1]=4 27 B14R1.149 CC1=CC=CC(C(=O)NCC(=O)O)=C1 DY745609 [1,1,0,0,0,0|1,0,0]=3 28 B14R1.149 O=C(O)CNC(=O)C1=CC(Cl)=CC=C1 DY628605 [1,1,0,0,0,0|1,0,0]=3 29 B14R1.415 N[C@@H](CC(=O)C1=CC=CC=C1)C(=O)O NO17941 [1,1,0,0,0,0|0,0,0]=2 30 B14R1.417 CN(CC(=O)O)C(=O)C1=CN=CC=C1 DY703153 [1,1,0,0,0,0|2,0,0]=4 31 B14R1.678 CC(=O)OCC(=O)C1=CC=C(Br)C=C1 DY799443 [1,1,0,0,0,0|2,0,0]=4 32 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 DY442744 [1,1,0,0,0,0|0,0,0]=2 33 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 NO10065 [1,1,0,0,0,0|0,0,0]=2 34 B14R1.813 O=C(O)CCP(=O)(O)C1=CC=CC=C1 DY20680 [1,1,0,0,0,0|1,0,0]=3 35 B14R1.337 N[C@@H](CC(=O)O)CC1=C(F)C=CC=C1 DY700801 [1,1,0,0,0,0|1,0,1]=4 36 B14R1.337 N[C@H](CC(=O)O)CC1=C(F)C=CC=C1 DY700086 [1,1,0,0,0,0|1,0,1]=4 37 B14R1.918 C=CCOC(=O)C1=C(O)C=CC(I)=C1 DY791709 [1,1,0,0,0,0|2,0,0]=4 38 B16R1.85 CC1=C(NC(=O)CCC(=O)O)C=CC=C1Cl DY604096 [0,1,0,0,0,1|1,0,0]=3 39 B16R1.11390 CC1=CC(C)=C(NC(=O)CCC(=O)O)C=C1 DY570837 [0,1,0,0,0,1|1,0,0]=3 40 B16R1.11390 O=C(O)CCC(=O)NC1=C(F)C=C(F)C=C1 DY120632 [0,1,0,0,0,1|1,0,0]=3 41 B16R1.7436 O=C(O)CCNS(=O)(=O)C1=C(F)C=CC=C1 DY563403 [0,1,0,0,0,1|2,0,0]=4 42 B16R1.11263 NC1=C(C(=O)C[C@@H](N)C(=O)O)C=CC=C1O DY700825 [0,2,0,0,0,0|1,0,0]=3 43 B14R1.4522 O=C(O)CCC1=C(C(=O)O)C=CC=C1 DY445728 [0,0,1,1,0,0|2,0,0]=4 44 B14R2.287 O=C1CCC(=O)C2=C(C=CC=C2)N1 DY104102 [1,0,0,1,0,0|1,0,0]=3 45 B14R2.287 O=C1CCC(=S)NC2=C1C=CC=C2 DY528123 [1,0,0,1,0,0|1,1,0]=4 46 B14R2.25733 CC(=O)N1CC(=O)C2=CC=CC=C21 NO20587 [1,0,0,1,0,0|2,0,0]=4 47 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)O1 NO21317 [1,0,0,1,0,0|0,0,1]=3 48 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 DY10334 [1,0,0,1,0,0|1,0,1]=4 49 B14R2.781 O=C(O)C1CCC2=CC=CC=C2N1 DY570375 [1,0,0,1,0,0|1,0,1]=4 50 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 NO14213 [1,0,0,1,0,0|1,0,0]=3 51 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)O1 NO15697 [1,0,0,1,0,0|1,0,0]=3 52 B14R2.781 O=C(O)[C@H]1CCC2=CC=CC=C2N1 DY570351 [1,0,0,1,0,0|1,0,1]=4 53 B14R2.781 O=C(O)[C@H]1CCC2=CC=CC=C2N1 DY621387 [1,0,0,1,0,0|1,0,1]=4 54 B14R2.781 O=C(O)[C@H]1COC2=C(C=CC=C2)O1 NO15696 [1,0,0,1,0,0|1,0,0]=3 55 B14R2.5443 CC1=C([C@@H]2C[C@H]2C(=O)O)C=CC=C1 DY620094 [1,0,0,1,0,0|1,0,1]=4 56 B14R2.1019 O=C1CC(CO)OC2=CC=CC=C12 DY771225 [1,0,0,1,0,0|0,0,1]=3 57 B14R2.1019 O=C1C[C@H](CO)CC2=CC=CC=C12 DY765653 [1,0,0,1,0,0|1,0,1]=4 58 B14R2.2 O=C(O)CC1=CNC2=CC=CC=C12 NO11357 [0,0,0,1,1,0|2,0,0]=4 59 B14R2.2 O=C(O)CC1=NNC2=CC=CC=C21 DY545421 [0,0,0,1,1,0|2,0,0]=4 60 B14R2.2 O=C(O)CC1=NOC2=C1C=CC=C2 DY556437 [0,0,0,1,1,0|1,0,0]=3 61 B14R2.52 O=C1COC2=C(C=CC=C2)C(=O)N1 DY681822 [0,0,0,1,1,0|2,0,0]=4 62 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 DY41799 [0,0,0,1,1,0|1,0,1]=4 63 B16R2.3989 O=C(O)CC1NC2=CC=CC=C2NC1=O DY455766 [0,0,0,1,0,1|1,0,0]=3 64 B16R2.3989 O=C(O)CC1OC2=C(C=CC=C2)NC1=O DY504855 [0,0,0,1,0,1|0,0,0]=2 65 B16R2.3989 O=C(O)CN1CC2=C(C=CC=C2)OC1=O DY671242 [0,0,0,1,0,1|2,0,0]=4 66 B16R2.93202 CC1=C2NC(=O)C(CC(=O)O)C2=CC=C1 DY611946 [0,0,0,1,0,1|1,0,0]=3 67 B16R2.36 O=C(O)CCCC1=CNC2=CC=CC=C12 NO11669 [0,0,0,1,0,1|2,0,0]=4 68 B16R2.3356 O=C(O)CCN1CC2=CC=CN=C2C1=O DY714818 [0,0,0,1,0,1|2,0,0]=4 69 B16R2.16183 O=C(O)CN1C(=O)C2=CC=CC=C2C1=O NO14499 [0,1,0,1,0,0|1,0,1]=4 70 B16R2.22833 CC1=C2NC=C(CCC(=O)O)C2=CC=C1 DY728821 [0,1,0,1,0,0|2,0,0]=4 71 B16R2.22890 CC1=C2OC(C(=O)O)=CC(=O)C2=CC=C1 DY681597 [0,1,0,1,0,0|0,0,2]=4 72 B16R2.12 NC(CC1=COC2=C1C=CC=C2)C(=O)O NO19627 [0,1,0,1,0,0|1,0,0]=3 73 B16R2.12 N[C@H](CC1=COC2=C1C=CC=C2)C(=O)O DY700441 [0,1,0,1,0,0|1,0,0]=3 74 B16R2.3355 CC(C(=O)O)N1CC2=CC=CC=C2C1=O DY629489 [0,1,0,1,0,0|2,0,0]=4 75 B16R2.14 COC(=O)CCC1=CNC2=CC=CC=C12 DY726415 [0,1,0,1,0,0|2,0,0]=4 76 B16R2.2976 O=C(O)CCC1=CNC2=CC(Br)=CC=C12 DY729757 [0,1,0,1,0,0|2,0,0]=4 77 B16R2.133406 O=C(O)C1=CC(=O)C2=CC=C(Cl)C=C2O1 NO12981 [0,1,0,1,0,0|0,0,2]=4 78 B16R2.133406 O=C(O)C1=CC(=O)C2=CC=C(O)C=C2O1 DY680877 [0,1,0,1,0,0|0,0,2]=4 79 B16R2.133406 O=C1OC(C(=O)O)CC2=CC(F)=CC=C12 DY679593 [0,1,0,1,0,0|2,0,0]=4 80 B16R2.23501 NC1=CC=C2OC(C(=O)O)=CC(=O)C2=C1 DY754621 [0,1,0,1,0,0|0,0,2]=4 81 B16R2.23501 O=C(O)C1=CC(=O)C2=CC(F)=CC=C2O1 DY583641 [0,1,0,1,0,0|0,0,2]=4 82 B16R2.23501 O=C1C[C@@H](C(=O)O)OC2=C1C=C(F)C=C2 DY21053 [0,1,0,1,0,0|0,0,0]=2 83 B16R2.4003 O=C(O)CCN1C(=O)NC2=C1C=CC=C2 DY611922 [0,1,0,1,0,0|2,0,0]=4 84 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 DY553521 [1,0,0,0,1,0|2,0,0]=4 85 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 DY459348 [1,0,0,0,1,0|1,0,0]=3 86 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 NO17400 [1,0,0,0,1,0|0,0,1]=3 87 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 DY541725 [1,0,0,0,1,0|1,0,0]=3 88 B12R1.125 CC1=C(CCC(=O)O)C=CN=C1 DY656458 [1,0,0,0,1,0|2,0,0]=4 89 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 DY535083 [1,0,0,0,1,0|2,0,0]=4 90 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 NO21656 [1,0,0,0,1,0|1,0,0]=3 91 B12R1.125 O=C(O)CCC1=NC=CC=C1Br DY656434 [1,0,0,0,1,0|2,0,0]=4 92 B12R1.125 O=C(O)CCN1C=CC=CC1=O NO12670 [1,0,0,0,1,0|1,0,1]=4 93 B12R1.125 O=C(O)CNC1=C(Br)C=CC=C1 DY700615 [1,0,0,0,1,0|2,0,0]=4 94 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 DY461268 [1,0,0,0,1,0|1,0,1]=4 95 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 NO10967 [1,0,0,0,1,0|1,0,1]=4 96 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 DY461274 [1,0,0,0,1,0|1,0,1]=4 97 B12R1.124 O=C(O)C(=O)C1=C(Br)C=CC=C1 NO16464 [0,0,0,0,2,0|1,0,0]=3 98 B14R1.420 N[C@H](CCCC(=O)O)C1=CC=CC=C1 DY628137 [1,0,0,0,0,1|1,0,1]=4 99 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 DY21009 [1,0,0,0,0,1|0,0,0]=2 100 B14R1.420 O=C(O)CCCC(=O)C1=CC=CN=C1 DY713725 [1,0,0,0,0,1|1,0,0]=3