0 B14R1.744 COC(=O)C1=C(CC(=O)O)C=CC=C1 S11314 [0,0,0,0,0,0|2,0,0]=2 1 B14R1.744 COC(=O)C1=C(CC(C)C)N=CC=C1 P20769 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.380 CCOC1=C(NC(C)=O)C=CC=C1 D88214 [1,0,0,0,0,0|2,0,0]=3 3 B13R1.589 C=C(Cl)CC1=C(C(=O)O)C=CC=C1 D83015 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.589 CC(=O)CC1=C([N+](=O)[O-])C=CC=C1 71432 [1,0,0,0,0,0|2,0,1]=4 5 B13R1.589 CC(=O)OC1=C([N+](=O)[O-])C=CC=C1 D79947 [1,0,0,0,0,0|2,0,1]=4 6 B15R1.3847 COC(=O)CC1=C(C(=O)OC)C=CC=C1 Y13597 [0,1,0,0,0,0|1,0,0]=2 7 B15R1.11372 COC(=O)C1=CC=CN=C1NS(C)(=O)=O 83381 [0,1,0,0,0,0|2,0,0]=3 8 B15R1.11677 COC(=O)C1=C(OC(C)C)C=C(N)C=C1 W17284 [0,1,0,0,0,0|2,0,1]=4 9 B15R1.11677 COC(=O)C1=CN=C(F)C=C1NC(C)C D79968 [0,1,0,0,0,0|2,0,1]=4 10 B15R2.14628 CC(=O)N1CCC(=O)C2=C1C=CC=C2 Y13463 [0,0,0,1,0,0|1,0,0]=2 11 B15R2.14628 O=C(O)C1=COC(=O)C2=C1C=CC=C2 75223 [0,0,0,1,0,0|2,0,1]=4 12 B15R2.19309 COC(=O)C1=C2N=C(N)NC2=CC=C1 31642 [0,0,0,1,0,0|2,0,1]=4 13 B15R2.19309 COC(=O)C1=C2SC(C)=NC2=CC=C1 W10268 [0,0,0,1,0,0|2,0,0]=3 14 B15R2.19309 COC(=O)C1=C2SC(N)=NC2=CC=C1 26342 [0,0,0,1,0,0|3,0,0]=4 15 B15R2.19309 COC(=O)C1=CC=CC2=C1N=C(Br)S2 68239 [0,0,0,1,0,0|1,1,1]=4 16 B15R2.19309 COC(=O)C1=CC=CC2=C1N=C(N)S2 F16309 [0,0,0,1,0,0|1,1,1]=4 17 B15R2.19309 COC(=O)C1=CC=CC2=C1NC(=O)N2 36643 [0,0,0,1,0,0|1,0,0]=2 18 B15R2.19309 COC(=O)C1=CC=CC2=CN(C)N=C21 P11069 [0,0,0,1,0,0|2,0,1]=4 19 B15R2.19309 COC(=O)C1=CC=NC2=C1CC(=O)N2 P11538 [0,0,0,1,0,0|3,0,0]=4 20 B13R1.547 COC(=O)C1=C(C(=O)O)C=NC=C1 W10245 [0,0,0,0,1,0|2,0,0]=3 21 B13R1.547 COC(=O)C1=C(C(C)=O)C=CC=C1 72700 [0,0,0,0,1,0|0,0,0]=1 22 B13R1.547 COC(=O)C1=C(C(C)C)C=CC=C1 AC7725 [0,0,0,0,1,0|1,0,1]=3 23 B13R1.547 COC(=O)C1=C(C(N)=O)C=CC=C1 AC7190 [0,0,0,0,1,0|1,0,0]=2 24 B13R1.547 COC(=O)C1=C([C@H](C)N)C=CC=C1 Y11575 [0,0,0,0,1,0|1,0,1]=3 25 B13R1.547 COC(=O)C1=C([C@H](C)N)C=CC=C1 Y11577 [0,0,0,0,1,0|1,0,1]=3 26 B12R1.75 C=CC1=C(OC(C)=O)C=CC=C1 20662 [2,0,0,0,0,0|1,0,1]=4 27 B12R1.75 CC(=O)NC1=C(C=O)C=CC=C1 T70224 [2,0,0,0,0,0|0,0,0]=2 28 B12R1.75 CC(=O)NC1=C(C=O)C=CN=C1 57759 [2,0,0,0,0,0|1,0,0]=3 29 B12R1.75 O=CC1=C(CC(=O)O)C=CC=C1 C12630 [2,0,0,0,0,0|2,0,0]=4 30 B12R1.77 C=CC1=C(C(=O)OC)C=CC=C1 F53555 [2,0,0,0,0,0|0,0,1]=3 31 B12R1.77 C=CC1=C(C(=O)OC)C=CC=N1 70929 [2,0,0,0,0,0|1,0,1]=4 32 B12R1.77 COC(=O)C1=C(NN)C=CC=C1 20930 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.77 COC(=O)C1=NC=CC=C1OC 27447 [2,0,0,0,0,0|2,0,0]=4 34 B14R1.263 CCOC(=O)C1=C(COC)C=CC=C1 F53232 [1,1,0,0,0,0|2,0,0]=4 35 B14R1.5122 CCNC1=CC(F)=NC=C1C(=O)OC D79967 [1,1,0,0,0,0|1,0,1]=4 36 B14R1.164 CC(=O)NC1=C([N+](=O)[O-])C=CC(Cl)=C1 58578 [1,1,0,0,0,0|1,0,1]=4 37 B14R1.164 O=C(O)CC1=C(C(=O)O)C=CC(F)=C1 32058 [1,1,0,0,0,0|2,0,0]=4 38 B14R1.6074 CC(=O)NC1=C(C(=O)O)C=C(Cl)C=C1 O10636 [1,1,0,0,0,0|0,0,0]=2 39 B14R1.6074 NC1=CC(C(=O)O)=C(CC(=O)O)C=C1 C90434 [1,1,0,0,0,0|2,0,0]=4 40 B14R1.6074 O=C(O)CC1=C(C(=O)O)C=C(Br)C=C1 74707 [1,1,0,0,0,0|2,0,0]=4 41 B14R1.6074 O=C(O)CC1=C(C(=O)O)C=C(F)C=C1 90640 [1,1,0,0,0,0|2,0,0]=4 42 B14R1.707 COC(=O)C1=C(C(=O)O)C=CC(F)=C1 C90105 [0,1,0,0,1,0|1,0,0]=3 43 B14R1.707 COC(=O)C1=C(N(C)C)C=CC(Br)=C1 D82663 [0,1,0,0,1,0|2,0,0]=4 44 B14R1.707 COC(=O)C1=C(N(C)C)C=CC(F)=C1 AB22737 [0,1,0,0,1,0|2,0,0]=4 45 B14R1.707 COC(=O)C1=C([N+](=O)[O-])C=CC(N)=C1 TD1276 [0,1,0,0,1,0|2,0,0]=4 46 B14R1.1126 COC(=O)C1=C([N+](=O)[O-])C=C(O)C=C1 AB7538 [0,1,0,0,1,0|2,0,0]=4 47 B14R1.1153 COC(=O)C1=CC=CC(Br)=C1C(=O)O AC1556 [0,1,0,0,1,0|1,0,0]=3 48 B14R1.1153 COC(=O)C1=CC=CC(Br)=C1[N+](=O)[O-] 95603 [0,1,0,0,1,0|2,0,0]=4 49 B14R1.1153 COC(=O)C1=CC=CC(N)=C1[N+](=O)[O-] 76625 [0,1,0,0,1,0|2,0,0]=4 50 B14R1.1164 COC(=O)C1=C(Br)C=CC=C1[N+](=O)[O-] CL9654 [0,1,0,0,1,0|2,0,0]=4 51 B14R1.1164 COC(=O)C1=C(Cl)C=CC=C1[N+](=O)[O-] D96078 [0,1,0,0,1,0|2,0,0]=4 52 B14R1.1164 COC(=O)C1=C([N+](=O)[O-])C=CC=C1O C72077 [0,1,0,0,1,0|2,0,0]=4 53 B16R1.17376 COC(=O)CC1=C(NS(C)(=O)=O)C=CC=C1 AC2370 [0,1,0,0,0,1|1,0,0]=3 54 B16R1.78073 COC(=O)CC1=C(C(=O)OC)C=C(F)C=C1 D80484 [0,2,0,0,0,0|1,0,0]=3 55 B16R1.1556 COC(=O)C1=C(NC(=O)\C=N\O)C=CC=C1 W11981 [0,2,0,0,0,0|0,0,1]=3 56 B16R1.25336 COC(=O)C1=C(NC(=O)CCl)C(C)=CC=C1 Y10851 [0,2,0,0,0,0|0,0,0]=2 57 B14R1.748 COC(=O)C1=CC(C(C)=O)=C(Br)C=C1 CL9475 [0,0,1,1,0,0|2,0,0]=4 58 B14R1.748 COC(=O)C1=CC(C(C)=O)=C(F)C=C1 CL9473 [0,0,1,1,0,0|2,0,0]=4 59 B14R1.736 COC(=O)C1=C(O)C(C(C)=O)=CC=C1 32672 [0,0,1,1,0,0|2,0,0]=4 60 B14R2.1146 COC1=CC(=O)OC2=C1C=CC=C2 D73288 [1,0,0,1,0,0|1,0,1]=4 61 B14R2.9440 CC(=O)NC1=C2CCCC2=CC=C1 79953 [1,0,0,1,0,0|1,0,1]=4 62 B14R2.287 O=C1CCC(=O)C2=C(C=CC=C2)N1 P10220 [1,0,0,1,0,0|1,0,0]=3 63 B14R2.8188 CC1=C(O)C2=C(C=CC=C2)NC1=O F19184 [1,0,0,1,0,0|1,0,1]=4 64 B14R2.10655 COC(=O)C1=C(C2CC2)C=CC=C1 F14172 [1,0,0,1,0,0|1,0,1]=4 65 B14R2.10782 CCC(=O)C1=C2NC=CC2=CC=C1 P20159 [1,0,0,1,0,0|1,0,1]=4 66 B14R2.10782 COC(=O)C1=C2C=COC2=CC=C1 F14152 [1,0,0,1,0,0|1,0,1]=4 67 B14R2.10782 COC(=O)C1=C2CNCC2=CC=C1 SC2531 [1,0,0,1,0,0|2,0,0]=4 68 B14R2.10782 COC(=O)C1=C2N=CNC2=CC=C1 25151 [1,0,0,1,0,0|1,0,1]=4 69 B14R2.10782 COC(=O)C1=C2NCCC2=CC=C1 D86161 [1,0,0,1,0,0|0,0,1]=3 70 B14R2.10782 COC(=O)C1=C2OCCC2=CC=C1 88989 [1,0,0,1,0,0|1,0,1]=4 71 B14R2.10782 COC(=O)C1=CC=CC2=C1C=CS2 F14153 [1,0,0,1,0,0|1,1,0]=4 72 B14R2.10782 COC(=O)C1=NC=CC2=C1NC=C2 P11528 [1,0,0,1,0,0|1,0,1]=4 73 B14R2.712 CC(=O)C1=CC=CC2=C1NC(=O)O2 C11210 [1,0,0,1,0,0|1,0,0]=3 74 B14R2.712 CC1=CC2=CC=CC(C(=O)O)=C2N1 72122 [1,0,0,1,0,0|1,0,0]=3 75 B14R2.712 CC1=NC2=CC=CC(C(=O)O)=C2S1 72598 [1,0,0,1,0,0|2,0,0]=4 76 B14R2.712 O=C1CC2=C(C=CC=C2C(=O)O)N1 25863 [1,0,0,1,0,0|2,0,0]=4 77 B14R2.712 O=C1CC2=C(N1)C(C(=O)O)=CC=C2 P10340 [1,0,0,1,0,0|0,0,0]=2 78 B14R2.712 O=C1CC2=CC=CC([N+](=O)[O-])=C2N1 25455 [1,0,0,1,0,0|1,0,1]=4 79 B14R2.8189 O=C1CS(=O)(=O)C2=C(C=CC=C2)N1 A12379 [1,0,0,1,0,0|1,0,1]=4 80 B14R2.25733 O=C1O[C@@H](C(=O)O)C2=C1C=CC=C2 D87638 [1,0,0,1,0,0|2,0,0]=4 81 B14R2.4510 O=C1CCCC(=O)C2=NC=CC=C12 I11706 [0,0,0,1,1,0|2,0,0]=4 82 B14R2.24350 O=C(O)C1=C2C(=O)CCC2=CC=C1 F52858 [0,0,0,1,1,0|2,0,0]=4 83 B14R2.24350 O=C(O)C1=C2C(=O)NCC2=CC=C1 Y10068 [0,0,0,1,1,0|2,0,0]=4 84 B16R2.81677 CC(=O)N1CCC(=O)C2=C(C=CC=C2)C1 W14972 [0,0,0,1,0,1|1,0,0]=3 85 B16R2.23332 CC(=O)N1C2=C(C=CC=C2)C(=O)C[C@@H]1C W12931 [0,1,0,1,0,0|1,0,0]=3 86 B16R2.126882 CC(=O)NC1=C2C(=O)CCCC2=CC=C1 AB11932 [0,1,0,1,0,0|1,0,0]=3 87 B16R2.173205 COC(=O)C1=C2CC(=O)NC2=CC(Br)=C1 P15515 [0,1,0,1,0,0|2,0,0]=4 88 B16R2.173205 COC(=O)C1=C2NC(=O)CC2=CC(Br)=C1 P15509 [0,1,0,1,0,0|0,0,0]=2 89 B16R2.172760 COC(=O)C1=CC=CC2=C1C(=O)C(=O)N2 52231 [0,1,0,1,0,0|2,0,0]=4 90 B16R2.33942 COC(=O)[C@@H]1CCC(=O)C2=C1C=CC=C2 C72956 [0,1,0,1,0,0|2,0,0]=4 91 B16R2.172725 COC(=O)C1=CC=CC2=C1NC(=O)C2=O 55033 [0,1,0,1,0,0|0,0,1]=3 92 B16R2.172757 COC(=O)C1=CC=CC2=C1NC(=O)CO2 F52477 [0,1,0,1,0,0|0,0,0]=2 93 B12R1.261 CC(=O)C1=C(B(O)O)C=CC=C1 50324 [1,0,0,0,1,0|1,0,1]=4 94 B12R1.261 CC(=O)C1=CC=CN=C1C(=O)O D95040 [1,0,0,0,1,0|1,0,0]=3 95 B12R1.261 C[C@H](N)C1=C(C(=O)O)C=CC=C1 Y10100 [1,0,0,0,1,0|1,0,1]=4 96 B12R1.261 C[C@H](N)C1=C(C(=O)O)C=CC=C1 Y12102 [1,0,0,0,1,0|1,0,1]=4 97 B12R1.261 C[C@H](N)C1=C(C(=O)O)C=CC=C1 Y12103 [1,0,0,0,1,0|1,0,1]=4 98 B12R1.261 NC(=O)C1=C(C(=O)O)C=CC=N1 W10225 [1,0,0,0,1,0|2,0,0]=4 99 B12R1.261 NC(=O)C1=CC=CN=C1C(=O)O T70945 [1,0,0,0,1,0|2,0,0]=4 100 B14R1.733 COC(=O)C1=CC(CC(=O)O)=CC=C1 S10088 [0,0,0,0,1,1|2,0,0]=4