0 B13R1.42 C=COC(=O)OCC1=CC=CC=C1 DY111305 [1,0,0,0,0,0|1,0,2]=4 1 B13R1.42 CCOC(=O)CCC1=CC=CN=C1 DY661743 [1,0,0,0,0,0|3,0,0]=4 2 B13R1.42 CNCC(=O)NCC1=NC=CC=C1 DY654600 [1,0,0,0,0,0|3,0,0]=4 3 B13R1.42 CNCC(=O)OCc1ccccc1 DY438153 [1,0,0,0,0,0|1,0,0]=2 4 B13R1.42 N#CCC(=O)OCC1=CC=CC=C1 DY584512 [1,0,0,0,0,0|1,0,1]=3 5 B13R1.42 NCCC(=O)NCC1=CC=CC=C1 DY537999 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.42 NCCC(=O)NCC1=NC=CC=C1 DY656860 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.337 CN(C)CCNCC1=CC=CC=C1 DY21090 [1,0,0,0,0,0|2,0,1]=4 8 B15R1.741 C[C@@H](CN)NC(=O)OCC1=CC=CC=C1 DY627524 [0,1,0,0,0,0|1,0,0]=2 9 B15R1.741 C[C@H](CN)NC(=O)OCC1=CC=CC=C1 DY789603 [0,1,0,0,0,0|1,0,0]=2 10 B15R1.741 O=C(CCl)NC(=O)OCC1=CC=CC=C1 DY746449 [0,1,0,0,0,0|2,0,1]=4 11 B15R1.3465 CC(C)(C)OC(=O)NCC1=CC=NC=C1 DY664188 [0,1,0,0,0,0|3,0,0]=4 12 B15R1.3678 CC(C)C(N)C(=O)NCC1=NC=CC=C1 DY654852 [0,1,0,0,0,0|2,0,0]=3 13 B15R1.3678 CC(C)[C@H](N)C(=O)OCC1=CC=CC=C1 DY20664 [0,1,0,0,0,0|0,0,0]=1 14 B15R2.325 NC1CC(=O)N(CC2=CC=CC=C2)C1 DY538383 [0,0,0,1,0,0|2,0,0]=3 15 B13R1.348 CC(C)CC(O)CC1=CC=CC=C1 DY798153 [0,0,0,0,1,0|0,0,2]=3 16 B13R1.348 CC(C)NC(=S)NC1=CC=CC=C1 DY791697 [0,0,0,0,1,0|2,1,0]=4 17 B13R1.351 CN(N)C(=O)OCC1=CC=CC=C1 NO15331 [0,0,0,0,1,0|2,0,0]=3 18 B13R1.351 C[C@H](N)C(=O)NCC1=CC=CN=C1 DY624751 [0,0,0,0,1,0|3,0,0]=4 19 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 NO14334 [0,0,0,0,1,0|1,0,0]=2 20 B13R1.351 C[C@H](N)C(=O)OCc1ccccc1 DY436157 [0,0,0,0,1,0|1,0,0]=2 21 B15R1.5919 O=C(O)CNC(=O)OCC1=CC=CC=C1 DY20506 [0,0,0,0,0,1|2,0,1]=4 22 B15R1.9084 O=C(O)CC(=O)OCCC1=CC=CC=C1 DY110596 [0,0,0,0,0,1|2,0,1]=4 23 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 DY524049 [2,0,0,0,0,0|0,0,2]=4 24 B12R1.27 COC(=O)CCC1=CC=CC=C1 DY433965 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.27 NNC(=O)OCC1=CC=CC=C1 NO20449 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 NO19947 [2,0,0,0,0,0|1,0,0]=3 27 B12R1.27 O=C(CO)OCC1=CC=CC=C1 DY547407 [2,0,0,0,0,0|1,0,0]=3 28 B14R1.32 CCOC(=O)CCC1=CC(C)=CC=C1 DY569259 [1,1,0,0,0,0|2,0,0]=4 29 B14R1.156 COCNC(=O)OCC1=CC=CC=C1 DY581877 [1,1,0,0,0,0|1,0,0]=3 30 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 NO11001 [1,1,0,0,0,0|1,0,0]=3 31 B14R1.156 O=C(NCCBr)OCC1=CC=CC=C1 NO13478 [1,1,0,0,0,0|1,0,0]=3 32 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 NO11002 [1,1,0,0,0,0|1,0,0]=3 33 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 NO12527 [1,1,0,0,0,0|2,0,0]=4 34 B14R1.502 O=C(CCCl)NCC1=CC=C(Cl)C=C1 DY614004 [1,1,0,0,0,0|2,0,0]=4 35 B14R1.756 N[C@@H](CO)C(=O)OCc1ccccc1 NO13835 [1,1,0,0,0,0|1,0,0]=3 36 B14R1.425 CC(C)C(Br)C(=O)NC1=CC=CC=C1 DY746749 [0,1,0,0,1,0|1,0,0]=3 37 B14R1.433 CN(CC1=CC=CC=C1)CC(C)(C)N DY578331 [0,1,0,0,1,0|2,0,0]=4 38 B14R1.698 CC(C)NC(=O)NC1=CC=C(O)C=C1 DY793275 [0,1,0,0,1,0|2,0,0]=4 39 B14R1.5956 CN(C)C(=O)CCC1=CC(N)=CC=C1 DY610635 [0,1,0,0,1,0|2,0,0]=4 40 B16R1.1343 COC(=O)CNC(=O)OCC1=CC=CC=C1 NO18678 [0,1,0,0,0,1|1,0,1]=4 41 B16R1.1343 NCC(=O)CCC(=O)OCc1ccccc1 DY529437 [0,1,0,0,0,1|1,0,1]=4 42 B16R1.6944 CC(C)C[C@@H](N)C(=O)OCC1=CC=CC=C1 DY700693 [0,1,0,0,0,1|0,0,0]=2 43 B16R1.6944 CC(C)C[C@@H](N)C(=O)OCc1ccccc1 DY437839 [0,1,0,0,0,1|0,0,0]=2 44 B16R1.7422 CC(C)(C)OC(=O)NCC1=C(N)C=CC=C1 NO20120 [0,2,0,0,0,0|2,0,0]=4 45 B16R1.8820 CC(C)[C@H](N)C(=O)NCC1=C(Cl)C=CC=C1 DY624625 [0,2,0,0,0,0|1,0,0]=3 46 B16R1.4134 CC(C)[C@H](N)C(=O)N(C)CC1=CC=NC=C1 DY624457 [0,2,0,0,0,0|2,0,0]=4 47 B16R1.12572 CC(C)(C)OC(=O)[C@H](N)CC1=CC=CC=C1 NO11443 [0,2,0,0,0,0|2,0,0]=4 48 B16R1.1570 C[C@@H](CCN)NC(=O)OCC1=CC=CC=C1 DY530679 [0,2,0,0,0,0|1,0,0]=3 49 B16R1.1040 CC(C)(C)OC(=O)NCC1=CC=C(Br)C=C1 DY33023 [0,2,0,0,0,0|2,0,0]=4 50 B16R1.1040 CC(C)(C)OC(=O)NCC1=CC=C(N)C=C1 DY582189 [0,2,0,0,0,0|2,0,0]=4 51 B16R1.3281 CN[C@H](C(=O)OCC1=CC=CC=C1)C(C)C DY702145 [0,2,0,0,0,0|0,0,0]=2 52 B14R2.21 O=C1CC(C2=CC=CC=C2)CCN1 DY775089 [1,0,0,1,0,0|2,0,0]=4 53 B14R2.21 O=C1CC(C2=CC=CC=C2)CCN1 NO15109 [1,0,0,1,0,0|2,0,0]=4 54 B14R2.21 O=C1CCC[C@@H](C2=CC=CC=C2)C1 DY622329 [1,0,0,1,0,0|1,0,0]=3 55 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 NO21738 [1,0,0,1,0,0|2,0,0]=4 56 B14R2.21 O=C1COCC(C2=CC=CC=C2)N1 DY515103 [1,0,0,1,0,0|2,0,0]=4 57 B14R2.598 CC1N=C(N)OC1C2=CC=CC=C2 DY773889 [1,0,0,1,0,0|2,0,0]=4 58 B14R2.2899 O=C(OCC1=CC=CC=C1)C2CC2 DY586996 [1,0,0,1,0,0|0,0,0]=2 59 B14R2.2899 O=C(OCC1=CC=CC=C1)[C@@H]2CN2 DY743827 [1,0,0,1,0,0|1,0,0]=3 60 B14R2.333 CC1(C)CNCC1C2=CC=CC=C2 DY666636 [1,0,0,1,0,0|2,0,0]=4 61 B14R2.8189 CC1CC2=CC=CC=C2C(C)(C)C1 DY763871 [0,0,0,1,1,0|1,0,1]=4 62 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O NO10019 [0,0,0,1,1,0|2,0,0]=4 63 B14R2.441 CC1(C)C(=O)NC1C2=CC=NC=C2 DY586293 [0,0,0,1,1,0|2,0,0]=4 64 B16R2.317 O=C1CC[C@H](O)CN1CC2=CC=CC=C2 DY774441 [0,0,0,1,0,1|2,0,0]=4 65 B16R2.3322 C=C1CN(C(=O)OCC2=CC=CC=C2)C1 DY719350 [0,0,0,1,0,1|0,0,2]=4 66 B16R2.3322 O=C(OCC1=CC=CC=C1)N2CC(I)C2 DY581355 [0,0,0,1,0,1|1,0,0]=3 67 B16R2.3322 O=C1CC(C(=O)OCC2=CC=CC=C2)N1 DY585202 [0,0,0,1,0,1|1,0,1]=4 68 B16R2.3322 O=C1CN(C(=O)OCC2=CC=CC=C2)C1 NO13035 [0,0,0,1,0,1|1,0,1]=4 69 B16R2.2903 CC1(C)OC(=O)N[C@@H]1CC2=CC=CC=C2 DY538443 [0,0,0,1,0,1|2,0,0]=4 70 B16R2.4064 N[C@H]1CC(=O)N(CC2=C(Cl)C=CC=C2)C1 DY529611 [0,1,0,1,0,0|2,0,0]=4 71 B16R2.44148 O=C(NC1CNC1)OCC2=CC=CC=C2 DY579567 [0,1,0,1,0,0|1,0,0]=3 72 B16R2.2991 CC(C)C1C(=O)CCC2=CC(F)=CC=C21 NO17471 [0,1,0,1,0,0|1,0,0]=3 73 B16R2.2991 CC(C)[C@@H]1C(=O)CCC2=CC(F)=CC=C21 DY503823 [0,1,0,1,0,0|1,0,0]=3 74 B12R1.32 CNCC(=O)NC1=CC=CC=C1 DY562887 [1,0,0,0,1,0|2,0,0]=4 75 B12R1.252 CC(C)CNCC1=CC=NC=C1 DY611023 [1,0,0,0,1,0|2,0,0]=4 76 B12R1.252 CN(C)CCOC1=CC=CC=C1 NO11261 [1,0,0,0,1,0|1,0,1]=4 77 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 NO20248 [1,0,0,0,1,0|1,0,0]=3 78 B12R1.43 CC(C)C(=O)CC1=CC=CN=C1 DY714151 [0,0,0,0,2,0|1,0,0]=3 79 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=C1 DY605141 [0,0,0,0,2,0|2,0,0]=4 80 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 DY461124 [1,0,0,0,0,1|2,0,0]=4 81 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 NO15465 [1,0,0,0,0,1|2,0,0]=4 82 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 NO16805 [1,0,0,0,0,1|2,0,0]=4