0 B14R1.818 CC(=O)CC(=O)\C=C\C1=CC=CC=C1 30085 [0,0,0,0,0,0|2,0,2]=4 1 B14R1.818 CC(C)NC(=O)CCC1=CC=CC=C1 W16282 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.42 CCOC(=O)CCC1=NC=CC=C1 AC2306 [1,0,0,0,0,0|3,0,0]=4 3 B13R1.42 N#CNC(=O)OCC1=CC=CC=C1 70457 [1,0,0,0,0,0|2,0,1]=4 4 B15R1.741 C#C[C@H](C)NC(=O)OCC1=CC=CC=C1 D86372 [0,1,0,0,0,0|1,0,1]=3 5 B15R1.741 C#C[C@H](C)NC(=O)OCC1=CC=CC=C1 D86374 [0,1,0,0,0,0|1,0,1]=3 6 B15R1.741 COC(=O)CC(=O)NCC1=CC=CC=C1 W12493 [0,1,0,0,0,0|2,0,1]=4 7 B15R1.741 C[C@@H](C#N)NC(=O)OCC1=CC=CC=C1 I11774 [0,1,0,0,0,0|1,0,1]=3 8 B15R1.741 C[C@@H](CN)NC(=O)OCC1=CC=CC=C1 I11642 [0,1,0,0,0,0|1,0,0]=2 9 B15R1.741 C[C@@H](CO)NC(=O)OCC1=CC=CC=C1 AB10098 [0,1,0,0,0,0|1,0,0]=2 10 B15R1.3678 C[C@@H](O)[C@H](N)C(=O)OCC1=CC=CC=C1 T72913 [0,1,0,0,0,0|1,0,0]=2 11 B15R1.5336 CN(C)\C=C(/C=O)OCC1=CC=CC=C1 W17071 [0,1,0,0,0,0|1,0,1]=3 12 B15R2.283 OC1CCC(OCC2=CC=CC=C2)C1 P13925 [0,0,0,1,0,0|2,0,1]=4 13 B15R2.283 O[C@@H]1CC[C@H](OCC2=CC=CC=C2)C1 P17652 [0,0,0,1,0,0|2,0,1]=4 14 B15R2.325 N[C@H]1CC(=O)N(CC2=CC=CC=C2)C1 Y11670 [0,0,0,1,0,0|2,0,0]=3 15 B15R2.325 O=C1C[C@H](O)CN1CC2=CC=CC=C2 55381 [0,0,0,1,0,0|2,0,0]=3 16 B15R2.24494 O=C(CC1CC1)OCC2=CC=CC=C2 W11717 [0,0,0,1,0,0|0,0,0]=1 17 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 27901 [0,0,0,0,1,0|1,0,1]=3 18 B13R1.348 CC(C)=CC(=O)NC1=CC=CC=C1 C91653 [0,0,0,0,1,0|1,0,2]=4 19 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 53132 [0,0,0,0,1,0|2,0,1]=4 20 B13R1.348 C[C@H](Cl)OC(=O)OC1=CC=CC=C1 A12584 [0,0,0,0,1,0|2,0,0]=3 21 B13R1.351 C[C@H](O)C(=O)OCC1=CC=CC=C1 Y14681 [0,0,0,0,1,0|1,0,0]=2 22 B12R1.8 NCCCOCC1=CC=CC=C1 C73224 [2,0,0,0,0,0|1,0,1]=4 23 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 20949 [2,0,0,0,0,0|0,0,2]=4 24 B12R1.27 CCC(=O)NCC1=CC=CC=C1 Y13566 [2,0,0,0,0,0|1,0,0]=3 25 B12R1.27 COC(=O)NCC1=CC=CC=C1 C75727 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 A11325 [2,0,0,0,0,0|2,0,0]=4 27 B14R1.32 CCOC(=O)CCC1=CC(C)=CC=C1 C11585 [1,1,0,0,0,0|2,0,0]=4 28 B14R1.32 CCOC(=O)CCC1=CC=CC(Br)=C1 AB7159 [1,1,0,0,0,0|2,0,0]=4 29 B14R1.32 CCOC(=O)CCC1=CC=CC(Cl)=C1 D84518 [1,1,0,0,0,0|2,0,0]=4 30 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 Y12270 [1,1,0,0,0,0|2,0,0]=4 31 B14R1.60 CCOC(=O)[C@@H](O)CC1=CC=CC=C1 D97639 [1,1,0,0,0,0|2,0,0]=4 32 B14R1.156 C#CCNC(=O)OCC1=CC=CC=C1 68200 [1,1,0,0,0,0|0,0,2]=4 33 B14R1.156 CCCCC(=O)OCC1=CC=CC=C1 D81803 [1,1,0,0,0,0|0,0,0]=2 34 B14R1.156 O=C(CCCO)OCC1=CC=CC=C1 W16162 [1,1,0,0,0,0|0,0,0]=2 35 B14R1.502 CCOC(=O)CCC1=CC=C(Cl)C=C1 C10962 [1,1,0,0,0,0|2,0,0]=4 36 B14R1.502 CCOC(=O)CCC1=CC=C(N)C=C1 F20005 [1,1,0,0,0,0|2,0,0]=4 37 B14R1.598 CCOC(=O)CCC1=C(O)C=CC=C1 W18949 [1,1,0,0,0,0|2,0,0]=4 38 B14R1.3099 CC(C)(N)C(=O)OCC1=CC=CC=C1 F52319 [0,1,0,0,1,0|0,0,0]=2 39 B14R1.3099 CC(C)(O)C(=O)OCC1=CC=CC=C1 31573 [0,1,0,0,1,0|0,0,0]=2 40 B16R1.1343 C[C@H](CO)CNC(=O)OCC1=CC=CC=C1 AB10174 [0,1,0,0,0,1|0,0,0]=2 41 B16R1.6944 CC(C)C[C@H](N)C(=O)OCC1=CC=CC=C1 FD21913 [0,1,0,0,0,1|0,0,0]=2 42 B16R1.22556 CC(C)(S)CCC(=O)NCC1=CC=CC=C1 F53354 [0,1,0,0,0,1|1,0,0]=3 43 B16R1.12547 CC(C)(C)OC(=O)NNCC1=CC=CC=C1 76780 [0,1,0,0,0,1|2,0,0]=4 44 B16R1.7422 CC(C)(C)OC(=O)NCC1=C(N)C=CC=C1 25734 [0,2,0,0,0,0|2,0,0]=4 45 B16R1.7422 CC(C)(C)OC(=O)OCC1=C(N)N=CC=C1 C74049 [0,2,0,0,0,0|2,0,0]=4 46 B16R1.12572 CC(C)(C)OC(=O)[C@@H](O)CC1=CC=CC=C1 N10569 [0,2,0,0,0,0|2,0,0]=4 47 B16R1.7289 CC[C@@H](CN)NC(=O)OCC1=CC=CC=C1 I11904 [0,2,0,0,0,0|1,0,0]=3 48 B16R1.10317 CC(C)(CN)NC(=O)OCC1=CC=CC=C1 I11643 [0,2,0,0,0,0|1,0,0]=3 49 B16R1.1040 CC(C)(C)OC(=O)CCC1=CC=C(N)C=C1 C77723 [0,2,0,0,0,0|2,0,0]=4 50 B16R1.22549 CC(C)(O)[C@H](O)C(=O)OCC1=CC=CC=C1 W11806 [0,2,0,0,0,0|0,0,0]=2 51 B14R2.21 O=C1CCO[C@H](C2=CC=CC=C2)C1 25492 [1,0,0,1,0,0|2,0,0]=4 52 B14R2.30 S=C1CCCN1CC2=CC=CC=C2 W15685 [1,0,0,1,0,0|1,1,0]=4 53 B14R2.2899 O=C(OCC1=CC=CC=C1)N2CC2 58577 [1,0,0,1,0,0|1,0,0]=3 54 B14R2.3018 C1=CC=C(COCC[C@H]2CO2)C=C1 A10556 [1,0,0,1,0,0|1,0,1]=4 55 B14R2.642 CC(C)[C@@H]1C(=O)NC2=C1C=CC=C2 W18023 [0,0,0,1,1,0|1,0,0]=3 56 B16R2.3193 O=C(N[C@@H]1C[C@@H]1O)OCC2=CC=CC=C2 C90587 [0,0,0,1,0,1|1,0,0]=3 57 B16R2.3322 O=C(OCC1=CC=CC=C1)N2CC(Br)C2 37208 [0,0,0,1,0,1|1,0,0]=3 58 B16R2.3322 O=C1C[C@@H](C(=O)OCC2=CC=CC=C2)N1 66310 [0,0,0,1,0,1|1,0,1]=4 59 B16R2.3322 O=C1C[C@@H](C(=O)OCC2=CC=CC=C2)N1 FD15011 [0,0,0,1,0,1|1,0,1]=4 60 B16R2.3322 O=C1C[C@@H](C(=O)OCC2=CC=CC=C2)N1 P11487 [0,0,0,1,0,1|1,0,1]=4 61 B16R2.4064 N[C@H]1CC(=O)N(CC2=C(Cl)C=CC=C2)C1 P11371 [0,1,0,1,0,0|2,0,0]=4 62 B16R2.312 N[C@H]1CCN(CC2=CC=CC=C2)C(=O)C1 P14077 [0,1,0,1,0,0|2,0,0]=4 63 B16R2.296 N[C@H]1CC[C@H]1C(=O)OCC2=CC=CC=C2 P18424 [0,1,0,1,0,0|1,0,0]=3 64 B16R2.44148 O=C(C=C1COC1)OCC2=CC=CC=C2 32789 [0,1,0,1,0,0|0,0,2]=4 65 B16R2.2991 CC(C)[C@H]1C(=O)CCC2=C1C=CC(F)=C2 C14064 [0,1,0,1,0,0|1,0,0]=3 66 B16R2.2991 CC(C)[C@H]1C(=O)CCC2=C1C=CC(F)=C2 O11591 [0,1,0,1,0,0|1,0,0]=3 67 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 C73314 [1,0,0,0,1,0|2,0,0]=4 68 B12R1.32 COCC(=O)OC1=CC=CC=C1 AC8183 [1,0,0,0,1,0|1,0,0]=3 69 B12R1.32 O=C(CCBr)NC1=CC=CC=C1 W16421 [1,0,0,0,1,0|2,0,0]=4 70 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 F10253 [0,0,0,0,2,0|2,0,0]=4 71 B12R1.43 C[C@H](N)C(=O)CC1=CC=CC=C1 D80885 [0,0,0,0,2,0|1,0,0]=3 72 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20111 [0,0,0,0,2,0|1,0,1]=4 73 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20113 [0,0,0,0,2,0|1,0,1]=4 74 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11320 [0,0,0,0,2,0|1,0,1]=4 75 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11540 [0,0,0,0,2,0|1,0,1]=4 76 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11782 [0,0,0,0,2,0|1,0,1]=4 77 B16R1.608 CN(C)CCCC(=O)OCC1=CC=CC=C1 D84442 [0,0,0,0,0,2|1,0,0]=3