0 B14R1.520 CCOC(=O)CNCC1=NC=CC=C1 T72721 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.28 CCNCCNCC1=CC=CC=C1 AB2653 [1,0,0,0,0,0|2,0,1]=4 2 B13R1.718 CCC(=O)COCC1=CC=CC=C1 C74376 [1,0,0,0,0,0|1,0,0]=2 3 B13R1.718 COC(=O)COCC1=CC=CC=C1 W10280 [1,0,0,0,0,0|1,0,0]=2 4 B13R1.718 COC(=O)NOCC1=CC=CC=C1 W13562 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.718 COC(=O)\C=C\CC1=CC=CC=C1 67393 [1,0,0,0,0,0|0,0,2]=3 6 B13R1.718 O=C(CCl)OCCC1=CC=CC=C1 D94805 [1,0,0,0,0,0|2,0,0]=3 7 B15R1.89 CCOC(=O)CCC(=O)C1=CC=CC=C1 20538 [0,1,0,0,0,0|0,0,1]=2 8 B15R1.89 CCOC(=O)\C=N/[C@@H](C)C1=CC=CC=C1 C13156 [0,1,0,0,0,0|1,0,1]=3 9 B15R1.157 CCCCC(=O)OCCC1=CC=CC=C1 A12817 [0,1,0,0,0,0|2,0,0]=3 10 B15R1.633 CCOC(=O)CCCC1=CC(O)=CC=C1 61952 [0,1,0,0,0,0|0,0,0]=1 11 B15R1.633 CCOC(=O)\C=C\OC1=CC(C)=CC=C1 W18061 [0,1,0,0,0,0|1,0,2]=4 12 B15R1.809 CCOC(=O)CC(=O)CC1=CC=CC=C1 82566 [0,1,0,0,0,0|0,0,1]=2 13 B15R2.31 BrC1=CCCN(CC2=CC=CC=C2)C1 S11209 [0,0,0,1,0,0|3,0,0]=4 14 B15R2.31 O=C1COC[C@H](CC2=CC=CC=C2)N1 W16215 [0,0,0,1,0,0|3,0,0]=4 15 B15R2.73 CCOC(=O)C1=NOC2=C1C=CC=C2 61596 [0,0,0,1,0,0|2,0,1]=4 16 B15R2.325 C[C@H]1CC(=O)CN1CC2=CC=CC=C2 F50540 [0,0,0,1,0,0|2,0,0]=3 17 B15R2.325 O=C1N[C@@H](CC2=CC=CC=C2)C(=O)O1 30826 [0,0,0,1,0,0|2,0,1]=4 18 B15R2.1342 CCOC(=O)[C@@H]1C[C@@H]1C2=CC=CC=C2 P20717 [0,0,0,1,0,0|0,0,0]=1 19 B13R1.42 CCOC(=O)C#CC1=CN=CC=C1 AC6430 [0,0,0,0,1,0|1,0,2]=4 20 B13R1.42 CCOC(=O)CCC1=NC=CC=C1 AC2306 [0,0,0,0,1,0|1,0,0]=2 21 B13R1.404 CCOC(=O)CNCC1=CSC=C1 W11013 [0,0,0,0,1,0|2,0,0]=3 22 B15R1.778 CCOC(=O)\C=C\OCC1=CC=CC=C1 W16261 [0,0,0,0,0,1|0,0,2]=3 23 B15R1.778 N#CCC(=O)NCCCC1=CC=CC=C1 W18397 [0,0,0,0,0,1|2,0,1]=4 24 B12R1.8 CCCCCCC1=CC=NC=C1 O11233 [2,0,0,0,0,0|1,0,1]=4 25 B12R1.8 CCCCCC[N+]1=CC=CC=C1 T72952 [2,0,0,0,0,0|1,0,1]=4 26 B12R1.8 CCCCCNC1=CC=CC=C1 T72196 [2,0,0,0,0,0|1,0,1]=4 27 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 F52615 [2,0,0,0,0,0|1,0,0]=3 28 B12R1.252 O=C(O)CCCC1=CC=NC=C1 F15138 [2,0,0,0,0,0|1,0,0]=3 29 B12R1.252 O=C(O)CCCC1=NC=CC=C1 O11098 [2,0,0,0,0,0|1,0,0]=3 30 B14R1.13 COC(=O)CCCC1=CC=C(F)C=C1 D84523 [1,1,0,0,0,0|0,0,0]=2 31 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 34043 [1,1,0,0,0,0|0,0,0]=2 32 B14R1.13 COC(=O)CCNC1=CC=C(O)C=C1 32658 [1,1,0,0,0,0|1,0,0]=3 33 B14R1.13 COC(=O)C\C=C\C1=CC=C(F)C=C1 D84531 [1,1,0,0,0,0|0,0,2]=4 34 B14R1.13 COC(=O)\C=C\CC1=CC=C(O)C=C1 66203 [1,1,0,0,0,0|0,0,2]=4 35 B14R1.756 COC(=O)[C@@H](N)\C=C\C1=CC=CC=C1 59851 [1,1,0,0,0,0|0,0,2]=4 36 B14R1.756 COC(=O)[C@H](C)OCC1=CC=CC=C1 C12989 [1,1,0,0,0,0|1,0,0]=3 37 B14R1.6449 CC(C)C(=O)NCCC1=CC=CC=C1 AB9882 [1,1,0,0,0,0|1,0,0]=3 38 B14R1.6449 C[C@H](O)C(=O)OCCC1=CC=CC=C1 73762 [1,1,0,0,0,0|1,0,0]=3 39 B14R1.29 CCOC(=O)CN(C)C1=NC=CC=C1 AC3365 [0,1,0,0,1,0|2,0,0]=4 40 B14R1.29 CCOC(=O)C[C@H](N)C1=CN=CC=C1 46245 [0,1,0,0,1,0|1,0,0]=3 41 B14R1.29 CCOC(=O)C[C@H](N)C1=CN=CC=C1 46247 [0,1,0,0,1,0|1,0,0]=3 42 B14R1.32 CCOC(=O)CCC1=CC(C)=CC=C1 C11585 [0,1,0,0,1,0|0,0,0]=2 43 B14R1.32 CCOC(=O)CCC1=CC=CC(Br)=C1 AB7159 [0,1,0,0,1,0|0,0,0]=2 44 B14R1.32 CCOC(=O)CCC1=CC=CC(Cl)=C1 D84518 [0,1,0,0,1,0|0,0,0]=2 45 B14R1.32 CCOC(=O)CNC1=CC=CC(Br)=C1 F52118 [0,1,0,0,1,0|1,0,0]=3 46 B14R1.32 CCOC(=O)COC1=CC=CC(F)=C1 AC6808 [0,1,0,0,1,0|1,0,0]=3 47 B14R1.32 CCOC(=O)\C=C\C1=CC(N)=CC=C1 50749 [0,1,0,0,1,0|0,0,2]=4 48 B14R1.32 CCOC(=O)\C=C\C1=CC(O)=CC=C1 W15436 [0,1,0,0,1,0|0,0,2]=4 49 B14R1.32 CCOC(=O)\C=C\C1=CC=CC(Cl)=C1 A10035 [0,1,0,0,1,0|0,0,2]=4 50 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 Y12270 [0,1,0,0,1,0|0,0,0]=2 51 B14R1.60 CCOC(=O)[C@@H](O)CC1=CC=CC=C1 D97639 [0,1,0,0,1,0|0,0,0]=2 52 B14R1.502 CCOC(=O)C#CC1=CC=C(F)C=C1 84995 [0,1,0,0,1,0|0,0,2]=4 53 B14R1.502 CCOC(=O)CCC1=CC=C(Cl)C=C1 C10962 [0,1,0,0,1,0|0,0,0]=2 54 B14R1.502 CCOC(=O)CCC1=CC=C(N)C=C1 F20005 [0,1,0,0,1,0|0,0,0]=2 55 B14R1.502 CCOC(=O)COC1=CC=C(F)C=C1 W18870 [0,1,0,0,1,0|1,0,0]=3 56 B14R1.502 CCOC(=O)COC1=CC=C(O)C=C1 C11637 [0,1,0,0,1,0|1,0,0]=3 57 B14R1.598 CCOC(=O)CCC1=C(F)C=CC=N1 D79920 [0,1,0,0,1,0|1,0,0]=3 58 B14R1.598 CCOC(=O)CCC1=C(O)C=CC=C1 W18949 [0,1,0,0,1,0|0,0,0]=2 59 B14R1.598 CCOC(=O)COC1=C(O)C=CC=C1 F17454 [0,1,0,0,1,0|1,0,0]=3 60 B14R1.598 CCOC(=O)\C=C\C1=C(Cl)C=CC=C1 AB7167 [0,1,0,0,1,0|0,0,2]=4 61 B14R1.818 CC(C)NC(=O)CCC1=CC=CC=C1 W16282 [0,1,0,0,1,0|1,0,0]=3 62 B16R1.58 CCOC(=O)CCC(=O)C1=CC=C(Br)C=C1 F19862 [0,2,0,0,0,0|0,0,1]=3 63 B16R1.956 CCOC(=O)CC(=O)CC1=CC=CC(Br)=C1 20808 [0,2,0,0,0,0|0,0,1]=3 64 B16R1.12547 CC(C)(C)OC(=O)NCCC1=NC=CC=C1 D84507 [0,2,0,0,0,0|2,0,0]=4 65 B16R1.12547 CC(C)(C)OC(=O)NNCC1=CC=CC=C1 76780 [0,2,0,0,0,0|2,0,0]=4 66 B14R1.962 C=CC1=CC=CC(CC(=O)OCC)=C1 P16759 [0,0,1,1,0,0|0,0,2]=4 67 B14R2.101 C1=CC=C(CC[C@H]2CCNC2)C=C1 AR1439 [1,0,0,1,0,0|1,0,1]=4 68 B14R2.19 C=C1CCN(CC2=CC=CC=C2)C1 W16256 [1,0,0,1,0,0|2,0,0]=4 69 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CS1 56487 [1,0,0,1,0,0|1,1,0]=4 70 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CS1 56489 [1,0,0,1,0,0|1,1,0]=4 71 B14R2.68 NC1CCC(C2=CC=CC=C2)CC1 AB9890 [1,0,0,1,0,0|1,0,1]=4 72 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 77666 [1,0,0,1,0,0|1,0,0]=3 73 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 P17213 [1,0,0,1,0,0|1,0,0]=3 74 B14R2.68 O=C1COC(C2=CC=CC=C2)OC1 C75481 [1,0,0,1,0,0|2,0,0]=4 75 B14R2.68 O=C1CO[C@H](C2=CC=CC=C2)CN1 O11626 [1,0,0,1,0,0|2,0,0]=4 76 B14R2.68 OC1CCC(C2=CC=CC=C2)CC1 84300 [1,0,0,1,0,0|0,0,2]=4 77 B14R2.279 N[C@@H]1C(=O)NCCC2=C1C=CC=C2 C15419 [1,0,0,1,0,0|2,0,0]=4 78 B14R2.4514 CN1C(=O)CC[C@H]1C2=CN=CC=C2 P10066 [1,0,0,1,0,0|2,0,0]=4 79 B14R2.21 O=C1CCO[C@H](C2=CC=CC=C2)C1 25492 [0,0,0,1,1,0|2,0,0]=4 80 B14R2.598 O=C1C[C@H](C2=CC=CC=C2)C(=O)O1 86146 [0,0,0,1,1,0|1,0,1]=4 81 B14R2.2899 O=C(OCC1=CC=CC=C1)N2CC2 58577 [0,0,0,1,1,0|2,0,0]=4 82 B16R2.5 CCOC(=O)CC1=COC2=C1C=CC=C2 30214 [0,0,0,1,0,1|0,0,2]=4 83 B16R2.252 O=C1CCC[C@H](OCC2=CC=CC=C2)C1 P18928 [0,0,0,1,0,1|1,0,0]=3 84 B16R2.252 O=C1CN(CCC2=CC=CC=C2)CCN1 C74191 [0,0,0,1,0,1|1,0,0]=3 85 B16R2.312 C[C@H]1CC(=O)CCN1CC2=CC=CC=C2 55929 [0,0,0,1,0,1|1,0,0]=3 86 B16R2.3250 O=C1OCC[C@@H]1COCC2=CC=CC=C2 D93839 [0,0,0,1,0,1|0,0,0]=2 87 B16R2.723 CCOC(=O)[C@H]1C[C@@H]1C2=CC=C(Br)C=C2 H11097 [0,1,0,1,0,0|0,0,0]=2 88 B16R2.71 O=C1CCOC[C@@H]1OCC2=CC=CC=C2 P14557 [0,1,0,1,0,0|2,0,0]=4 89 B16R2.3253 O=C1CCCCN(CC2=CC=CC=C2)C1 53255 [0,1,0,1,0,0|2,0,0]=4 90 B16R2.734 CCOC(=O)CC1=NC2=C(C=CC=C2)O1 C73061 [0,1,0,1,0,0|1,0,1]=4 91 B16R2.767 CCOC(=O)[C@@H]1CCC2=C(C=CC=C2)O1 50347 [0,1,0,1,0,0|0,0,0]=2 92 B12R1.27 CCC(=O)NCC1=CC=CC=C1 Y13566 [1,0,0,0,1,0|1,0,0]=3 93 B12R1.27 COC(=O)CCC1=NC=CC=C1 AC5808 [1,0,0,0,1,0|1,0,0]=3 94 B12R1.27 COC(=O)NCC1=CC=CC=C1 C75727 [1,0,0,0,1,0|1,0,0]=3 95 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 A11325 [1,0,0,0,1,0|1,0,0]=3 96 B12R1.32 CCOC(=O)CC1=NC=NC=C1 87620 [0,0,0,0,2,0|2,0,0]=4 97 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 C73314 [0,0,0,0,2,0|1,0,0]=3 98 B12R1.32 CCOC(=O)NC1=CC=NC=C1 F21286 [0,0,0,0,2,0|2,0,0]=4