0 B13R2.328 CC1=CC(O)=NC2=CC=CC=C12 NO10067 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)O1 NO21531 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.328 NC1=CC(O)=CC2=CC=CC=C12 DY768431 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.328 O=C1C=C(Cl)NC2=CC=CC=C12 DY688323 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 DY33305 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 DY568083 [0,0,0,0,0,0|2,0,1]=3 6 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 NO10996 [0,0,0,0,0,0|3,0,1]=4 7 B13R2.328 O=C1NC(Cl)=NC2=CC=CC=C12 NO15421 [0,0,0,0,0,0|4,0,0]=4 8 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 NO11507 [0,0,0,0,0,0|2,0,1]=3 9 B13R2.328 [O-]C1=CC(O)=NC2=CC=CC=C12 DY692121 [0,0,0,0,0,0|3,0,1]=4 10 B12R2.24 O=C1C=CC2=CC=CC=C2O1 DY507548 [1,0,0,0,0,0|2,0,1]=4 11 B12R2.24 OC1=CC2=CC=CC=C2C=C1 NO21708 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.24 OC1CCC2=CC=CC=C2O1 DY681876 [1,0,0,0,0,0|2,0,1]=4 13 B12R2.1081 O=C1C=CNC2=CC=CC=C12 NO15452 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.1081 O=C1C=NNC2=CC=CC=C12 NO20704 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.1081 O=C1CCCC2=CC=CC=C12 NO14809 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.1081 O=C1CCNC2=CC=CC=C12 NO15321 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.1081 O=C1CCOC2=CC=CC=C12 NO22800 [1,0,0,0,0,0|2,0,0]=3 18 B12R2.1081 O=C1CNNC2=CC=CC=C12 DY755743 [1,0,0,0,0,0|3,0,0]=4 19 B12R2.1081 O=C1NCCC2=CC=CC=C12 NO17872 [1,0,0,0,0,0|3,0,0]=4 20 B12R2.1081 O=C1NN=CC2=CC=CC=C12 NO19825 [1,0,0,0,0,0|3,0,0]=4 21 B12R2.1081 O=C1NN=NC2=C1C=CC=C2 DY20712 [1,0,0,0,0,0|3,0,0]=4 22 B12R2.1081 O=C1OCCC2=CC=CC=C12 NO12987 [1,0,0,0,0,0|2,0,0]=3 23 B14R2.1019 CCC1=NC2=C(C=CC=C2)C(=O)O1 DY672853 [0,1,0,0,0,0|3,0,0]=4 24 B14R2.1019 COC1=CC2=CC=CC=C2C(=O)O1 DY771471 [0,1,0,0,0,0|2,0,0]=3 25 B14R2.1019 O=C1CC(CO)OC2=CC=CC=C12 DY771225 [0,1,0,0,0,0|2,0,0]=3 26 B14R2.1019 O=C1C[C@H](CO)CC2=CC=CC=C12 DY765653 [0,1,0,0,0,0|3,0,0]=4 27 B14R2.1019 O=C1NC(CO)=NC2=CC=CC=C12 DY607575 [0,1,0,0,0,0|3,0,0]=4 28 B14R2.7724 CN1C(=O)OC(=O)C2=CC=CC=C21 DY503283 [0,1,0,0,0,0|2,0,1]=4 29 B14R2.8188 CC1=C(Br)C(=O)C2=CC=CC=C2O1 DY755131 [0,1,0,0,0,0|3,0,0]=4 30 B14R2.8188 NC1=C(Cl)OC2=CC=CC=C2C1=O DY755119 [0,1,0,0,0,0|3,0,0]=4 31 B14R2.8235 O=C1C=C(O)NC2=CC=C(Br)C=C12 NO18059 [0,1,0,0,0,0|3,0,0]=4 32 B14R2.8235 O=C1NC2=C(C=C(Br)C=C2)C(=O)O1 NO20584 [0,1,0,0,0,0|2,0,1]=4 33 B14R2.8235 O=C1NC2=CC=C(Cl)C=C2C(=O)O1 DY20080 [0,1,0,0,0,0|2,0,1]=4 34 B14R2.28480 CC1=C2C(=O)CC(C)OC2=CC=C1 DY770847 [0,1,0,0,0,0|3,0,0]=4 35 B14R2.28480 CC1=C2C(=O)OC(=O)CC2=CC=C1 DY771081 [0,1,0,0,0,0|2,0,1]=4 36 B14R2.28480 O=C1NC2=C(C(=O)O1)C(F)=CC=C2 DY571965 [0,1,0,0,0,0|2,0,1]=4 37 B14R2.29365 O=C1NC2=C(C=CC(Br)=C2)C(=O)O1 NO12315 [0,1,0,0,0,0|2,0,1]=4 38 B14R2.29365 O=C1NC2=CC(Cl)=CC=C2C(=O)O1 DY20649 [0,1,0,0,0,0|2,0,1]=4 39 B12R1.75 O=CC1=C(CC(=O)O)C=CC=C1 DY531387 [0,0,1,0,0,0|2,0,1]=4 40 B12R1.283 CCOC1=C(C(C)=O)C=CC=C1 DY791631 [0,0,1,0,0,0|3,0,0]=4 41 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 DY20191 [0,0,1,0,0,0|3,0,0]=4 42 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 NO11340 [0,0,1,0,0,0|3,0,0]=4 43 B12R2.18 O=C1C2=CC=CC=C2CC1Br DY772371 [0,0,0,0,1,0|3,0,0]=4 44 B12R2.18 O=C1NC2=CC=CC=C2C1=O NO11506 [0,0,0,0,1,0|2,0,1]=4 45 B12R2.18 O=C1SC2=C(C=CC=C2)C1=O DY556599 [0,0,0,0,1,0|1,1,1]=4 46 B12R2.2028 CC1OB(O)C2=C1C=CC=C2 DY450496 [0,0,0,0,1,0|2,0,1]=4 47 B12R2.2028 C[C@H]1NC(=O)C2=CC=CC=C21 DY622323 [0,0,0,0,1,0|3,0,0]=4 48 B12R2.2028 O=C1CC(Br)C2=CC=CC=C12 NO22129 [0,0,0,0,1,0|3,0,0]=4 49 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 DY20691 [0,0,0,0,1,0|1,0,0]=2 50 B12R2.2028 O=C1[N-]C(=O)C2=CC=CC=C12 NO11876 [0,0,0,0,1,0|2,0,1]=4 51 B14R2.52 O=C1COC2=C(C=CC=C2)C(=O)N1 DY681822 [0,0,0,0,0,1|2,0,1]=4 52 B14R2.287 CC1=NNC(=O)C2=C(C=CC=C2)O1 DY116792 [0,0,0,0,0,1|3,0,0]=4 53 B11R1.16 O=[P+](OCO)C1=CC=CC=C1 DY796893 [1,0,1,0,0,0|2,0,0]=4 54 B11R1.53 C=CC1=C(C(=O)O)C=CC=C1 NO16516 [1,0,1,0,0,0|2,0,0]=4 55 B11R1.53 CCC1=C(C(=O)O)C=CC=C1 NO15281 [1,0,1,0,0,0|2,0,0]=4 56 B11R1.53 COC1=C(C(=O)O)C=CC=C1 NO15086 [1,0,1,0,0,0|1,0,0]=3 57 B11R1.53 COC1=C(C(=O)O)C=CC=N1 NO20330 [1,0,1,0,0,0|2,0,0]=4 58 B11R1.53 COC1=C(C(=O)O)C=CN=C1 NO10492 [1,0,1,0,0,0|2,0,0]=4 59 B11R1.53 COC1=CC=CN=C1C(=O)O NO22335 [1,0,1,0,0,0|2,0,0]=4 60 B11R1.53 COC1=CC=NC=C1C(=O)O NO13273 [1,0,1,0,0,0|2,0,0]=4 61 B11R1.53 CSC1=C(C(=O)O)C=CC=C1 DY551739 [1,0,1,0,0,0|1,1,0]=4 62 B11R1.53 C[Se]C1=C(C(=O)O)C=CC=C1 DY565725 [1,0,1,0,0,0|1,1,0]=4 63 B11R1.53 O=C(O)C1=C(CO)N=CC=C1 DY572829 [1,0,1,0,0,0|2,0,0]=4 64 B11R1.53 O=CC1=C(C(=O)O)C=CC=C1 NO13542 [1,0,1,0,0,0|1,0,1]=4 65 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 DY20192 [1,0,1,0,0,0|2,0,0]=4 66 B11R1.222 COC(=O)C1=C(F)C=CC=C1 NO11605 [1,0,1,0,0,0|2,0,0]=4 67 B11R1.222 COC(=O)C1=C(I)C=CC=C1 NO15277 [1,0,1,0,0,0|2,0,0]=4 68 B11R1.222 COC(=O)C1=C(O)C=NC=C1 NO11627 [1,0,1,0,0,0|2,0,0]=4 69 B11R1.222 COC(=O)C1=NC=CC=C1O NO21936 [1,0,1,0,0,0|2,0,0]=4 70 B11R1.222 C\C(=N/O)C1=C(O)C=CC=C1 DY745441 [1,0,1,0,0,0|2,0,0]=4 71 B11R1.222 O=C(NO)C1=C(O)C=CC=C1 NO11942 [1,0,1,0,0,0|1,0,0]=3 72 B13R1.356 CCOC1=C(C(=O)O)C=CC(F)=C1 DY112284 [0,1,1,0,0,0|2,0,0]=4 73 B13R1.572 CCCOC1=C(C(=O)O)C=CC=C1 NO11121 [0,1,1,0,0,0|2,0,0]=4 74 B13R1.572 O=C(O)C1=C(OCCO)N=CC=C1 DY653816 [0,1,1,0,0,0|2,0,0]=4 75 B13R1.572 O=C(O)C1=NC=CC=C1OCCO DY114584 [0,1,1,0,0,0|2,0,0]=4 76 B13R1.572 O=C(O)C1=NC=CC=C1OCCO DY656398 [0,1,1,0,0,0|2,0,0]=4 77 B13R1.4012 CCOC1=C(C(=O)O)C=CC=C1Br DY448192 [0,1,1,0,0,0|2,0,0]=4 78 B13R1.4453 CCOC(=O)C1=C(Cl)C=CC=C1O NO11337 [0,1,1,0,0,0|2,0,0]=4 79 B13R2.155 O=C1C=CC2=CC=C(O)OC2=C1 DY771363 [1,1,0,0,0,0|2,0,0]=4 80 B13R2.342 CC1=C2OCCC(=O)C2=CC=C1 DY556725 [1,1,0,0,0,0|2,0,0]=4 81 B13R2.342 O=C1CCOC2=C(Br)C=CC=C12 NO10844 [1,1,0,0,0,0|2,0,0]=4 82 B13R2.342 O=C1CCOC2=C(Cl)C=CC=C12 NO10849 [1,1,0,0,0,0|2,0,0]=4 83 B13R2.342 O=C1CCOC2=C(F)C=CC=C12 NO13508 [1,1,0,0,0,0|2,0,0]=4 84 B13R2.342 O=C1OC=CC2=C(Br)C=CC=C12 DY677555 [1,1,0,0,0,0|2,0,0]=4 85 B13R2.4818 O=C1CCOC2=CC=CC(Cl)=C12 DY510795 [1,1,0,0,0,0|2,0,0]=4 86 B13R2.45 Cc1c(CO)oc2ccccc12 DY560265 [0,1,0,0,1,0|2,0,0]=4 87 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1O NO11782 [0,1,0,0,1,0|2,0,0]=4 88 B13R2.4857 NC1=CC=CC2=C1C(=O)OC2=O DY531645 [0,1,0,0,1,0|1,0,1]=4 89 B13R2.4857 O=C1OC(=O)C2=C(F)C=CC=C12 NO10603 [0,1,0,0,1,0|1,0,1]=4 90 B13R2.4857 O=C1OC(=O)C2=C(O)C=CC=C12 NO20622 [0,1,0,0,1,0|1,0,1]=4 91 B13R2.4857 O=C1OC(O)C2=CC=CC(Cl)=C12 DY751513 [0,1,0,0,1,0|1,0,0]=3 92 B13R2.5187 CC1OC(=O)C2=CC=C(Br)C=C21 DY585639 [0,1,0,0,1,0|2,0,0]=4 93 B13R2.5187 O=C1OC(=O)C2=CC(Br)=CC=C12 NO20571 [0,1,0,0,1,0|1,0,1]=4 94 B13R2.5187 O=C1OC(=O)C2=CC(F)=CC=C12 DY20072 [0,1,0,0,1,0|1,0,1]=4 95 B15R2.14951 O=C(O)C1=CC(=O)C2=CC=CC=C2O1 NO10056 [0,2,0,0,0,0|2,0,0]=4 96 B13R2.5569 O=C(Cl)C1=CC=CC2=C1OCO2 NO12132 [0,0,1,1,0,0|2,0,0]=4 97 B13R2.5569 O=C(O)C1=CC=CC2=C1OC=N2 DY752791 [0,0,1,1,0,0|2,0,0]=4 98 B13R2.5569 O=C(O)C1=CC=CC2=C1OCO2 DY456556 [0,0,1,1,0,0|1,0,0]=3 99 B11R2.10 O=C1OC2=C(C=CC=C2)O1 NO10973 [1,0,0,0,1,0|1,0,1]=4 100 B11R2.10 OC1=CC2=C(C=CC=C2)O1 DY751579 [1,0,0,0,1,0|1,0,0]=3 101 B11R2.10 OC1=CC2=CC=CC=C2N1 DY726793 [1,0,0,0,1,0|2,0,0]=4