0 B13R1.45 O=C(O)CSC(=S)C1=CC=CC=C1 OR323274 [1,0,0,0,0,0|1,1,0]=3 1 B13R1.158 CC1=C(OCCC(=O)O)C=CC=C1 OR470104 [1,0,0,0,0,0|2,0,0]=3 2 B13R1.158 O=C(O)CCNC1=C(F)C=CC=C1 PC2927 [1,0,0,0,0,0|2,0,0]=3 3 B13R1.158 O=C(O)CCOC1=CC=CC=C1Cl OR470101 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.158 O=C(O)CCOC1=CC=CC=C1F PC1317 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.158 O=C(O)CSCC1=C(F)C=CC=C1 PC53534 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.158 O=C(O)C\C=C\C1=C(F)C=CC=C1 PC421190 [1,0,0,0,0,0|1,0,1]=3 7 B15R1.5815 COC(=O)CNC(=O)C1=C(Cl)N=CC=C1 OR21708 [0,1,0,0,0,0|3,0,0]=4 8 B15R1.5822 CC1=C(C(=O)CCC(=O)O)C=CC(Br)=C1 OR322697 [0,1,0,0,0,0|1,0,0]=2 9 B15R1.5822 O=C(O)CCC(=O)C1=C(F)C=C(F)C=C1 PC8184 [0,1,0,0,0,0|1,0,0]=2 10 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 OR10180 [0,0,0,1,0,0|2,0,0]=3 11 B15R2.629 CC1=C(CC(=O)O)SC2=C1C=CC=C2 OR26018 [0,0,0,1,0,0|1,1,1]=4 12 B15R2.629 O=C(O)CN1CC2=CC=CN=C2C1=O OR322708 [0,0,0,1,0,0|3,0,0]=4 13 B15R2.629 O=C(O)CN1CC2=NC=CC=C2C1=O OR323047 [0,0,0,1,0,0|3,0,0]=4 14 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1O OR322847 [0,0,0,0,1,0|1,0,0]=2 15 B13R1.201 NC(CC(=O)O)C1=C(Br)C=CC=C1 OR111400 [0,0,0,0,1,0|2,0,1]=4 16 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Cl OR309360 [0,0,0,0,1,0|2,0,1]=4 17 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1F PC1441 [0,0,0,0,1,0|2,0,1]=4 18 B12R1.252 O=C(Cl)CCOC1=CC=CC=C1 OR200139 [2,0,0,0,0,0|2,0,0]=4 19 B12R1.252 O=C(O)CCSC1=CC=CC=C1 OR2272 [2,0,0,0,0,0|1,0,0]=3 20 B12R1.308 N#CCC(=O)C1=C(O)C=CC=C1 OR7016 [2,0,0,0,0,0|1,0,1]=4 21 B12R1.308 O=C(CCCl)C1=C(F)C=CC=C1 PC421167 [2,0,0,0,0,0|2,0,0]=4 22 B12R1.308 O=CNC(=O)C1=C(O)C=CC=C1 OR300528 [2,0,0,0,0,0|1,0,0]=3 23 B14R1.163 COC(=O)CNC(=O)C1=CC=CC=C1 OR471160 [1,1,0,0,0,0|1,0,0]=3 24 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 OR110140 [1,1,0,0,0,0|0,0,0]=2 25 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 PC3635 [1,1,0,0,0,0|0,0,0]=2 26 B14R1.678 O=C(O)\C=C\C(=O)C1=CC=C(F)C=C1 PC200514 [1,1,0,0,0,0|0,0,2]=4 27 B14R1.96 N#CC1=CC=CC=C1OCCC(=O)O OR470103 [1,1,0,0,0,0|2,0,0]=4 28 B14R1.4464 O=C(O)CCOC1=C(F)C=C(F)C=C1 PC5504 [1,1,0,0,0,0|2,0,0]=4 29 B16R1.5624 CCOC(=O)CNC(=O)C1=C(F)C=CC=C1 PC4897 [0,2,0,0,0,0|2,0,0]=4 30 B14R1.4522 O=C(O)CCC1=CC=CC=C1C(=O)O OR301314 [0,0,1,1,0,0|2,0,0]=4 31 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 OR346305 [1,0,0,1,0,0|2,0,0]=4 32 B14R2.68 OC1=NN=C(C2=CC=CC=C2)CC1 OR300584 [1,0,0,1,0,0|2,0,0]=4 33 B14R2.9520 O=C(O)C1CC1(F)C2=CC=CC=C2 PC400596 [1,0,0,1,0,0|1,0,1]=4 34 B14R2.781 O=C(O)C1CCC2=C(C=CC=C2)O1 OR55170 [1,0,0,1,0,0|0,0,1]=3 35 B16R2.3270 [C@@H]1(C(=O)O)CSC(C2=CC=CC=C2O)N1 OR300922 [0,0,0,1,0,1|1,0,1]=4 36 B16R2.3356 O=C(O)CCN1CC2=CC=CN=C2C1=O OR323024 [0,0,0,1,0,1|2,0,0]=4 37 B16R2.12 CC(CC1=CNC2=C1C=CC=C2)C(=O)O OR470258 [0,1,0,1,0,0|2,0,0]=4 38 B16R2.12 N[C@H](CC1=CNC2=CC=CC=C12)C(=O)O OR315019 [0,1,0,1,0,0|2,0,0]=4 39 B16R2.3355 CC(C(=O)O)N1CC2=CC=CC=C2C1=O OR110883 [0,1,0,1,0,0|2,0,0]=4 40 B16R2.1170 COC(=O)CN1CC2=CC=CC=C2C1=O OR110871 [0,1,0,1,0,0|2,0,0]=4 41 B16R2.133406 O=C(O)C1=CC(=O)C2=CC=C(F)C=C2O1 PC200548 [0,1,0,1,0,0|0,0,2]=4 42 B16R2.12029 O=C(O)CN1CC2=CC=C(F)C=C2C1=O PC430577 [0,1,0,1,0,0|2,0,0]=4 43 B16R2.23501 O=C(O)C1=CC(=O)C2=C(C=CC(Cl)=C2)O1 OR345099 [0,1,0,1,0,0|0,0,2]=4 44 B16R2.23501 O=C(O)C1=CC(=O)C2=CC(F)=CC=C2O1 PC1589 [0,1,0,1,0,0|0,0,2]=4 45 B16R2.23501 O=C1CC(C(=O)O)OC2=C1C=C(F)C=C2 PC6501 [0,1,0,1,0,0|0,0,0]=2 46 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 BICR106 [1,0,0,0,1,0|1,0,1]=4 47 B12R1.125 CC1=CC=CC=C1CCC(=O)Cl OR200130 [1,0,0,0,1,0|2,0,0]=4 48 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O OR350264 [1,0,0,0,1,0|1,0,1]=4 49 B12R1.125 O=C(Cl)CCC1=CC=CC=C1F PC1788 [1,0,0,0,1,0|2,0,0]=4 50 B12R1.125 O=C(O)C=CC1=CC=CC=C1F PC3730 [1,0,0,0,1,0|1,0,1]=4 51 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 OR10089 [1,0,0,0,1,0|1,0,0]=3 52 B12R1.125 O=C(O)CCC1=CC=CC=C1F PC0312 [1,0,0,0,1,0|1,0,0]=3 53 B12R1.125 O=C(O)CCC1=CC=CC=C1O OR21513 [1,0,0,0,1,0|0,0,0]=2 54 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 PC408272 [1,0,0,0,1,0|2,0,0]=4