0 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 20129 [0,0,0,0,0,0|0,0,0]=0 1 B14R1.29 CCOC(=O)CC(=O)C1=NC=CC=C1 11088 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 13894 [0,0,0,0,0,0|1,0,1]=2 3 B14R1.29 CCOC(=O)C[C@@H](N)C1=CC=CC=C1 13851 [0,0,0,0,0,0|1,0,1]=2 4 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CC=C1 13852 [0,0,0,0,0,0|1,0,1]=2 5 B14R1.29 CCOC(=O)C[C@H](O)C1=CC=CC=C1 23251 [0,0,0,0,0,0|0,0,2]=2 6 B14R1.29 CCOC(=O)\C=C(/C)C1=CC=CC=C1 31859 [0,0,0,0,0,0|1,0,1]=2 7 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 22930 [1,0,0,0,0,0|1,0,1]=3 8 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 35755 [1,0,0,0,0,0|1,0,1]=3 9 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 29302 [1,0,0,0,0,0|2,0,1]=4 10 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 29017 [1,0,0,0,0,0|0,0,1]=2 11 B13R1.42 CCOC(=O)COC1=CC=CC=C1 12485 [1,0,0,0,0,0|1,0,0]=2 12 B13R1.42 CCOC(=O)COC1=CC=CN=C1 16756 [1,0,0,0,0,0|2,0,0]=3 13 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 10853 [1,0,0,0,0,0|1,0,0]=2 14 B13R1.42 CCOC(=O)\C=C\C1=CC=NC=C1 20165 [1,0,0,0,0,0|1,0,1]=3 15 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(Br)C=C1 22972 [0,1,0,0,0,0|0,0,0]=1 16 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(F)C=C1 2692 [0,1,0,0,0,0|0,0,0]=1 17 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(I)C=C1 28867 [0,1,0,0,0,0|0,0,0]=1 18 B15R1.23 CCOC(=O)CS(=O)C1=CC=C(Cl)C=C1 18131 [0,1,0,0,0,0|1,0,0]=2 19 B15R1.3722 CCOC(=O)CC(=O)C1=C(F)C=CC=C1 26971 [0,1,0,0,0,0|0,0,0]=1 20 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 14031 [0,0,0,0,1,0|0,0,0]=1 21 B13R1.47 CCOC(=O)C(O)C1=CC=CC=C1 10349 [0,0,0,0,1,0|0,0,2]=3 22 B13R1.47 CCOC(=O)[C@H](N)c1ccccc1 10931 [0,0,0,0,1,0|1,0,1]=3 23 B15R1.809 CCOC(=O)\C=C(/C)NC1=CC=CC=C1 12805 [0,0,0,0,0,1|1,0,1]=3 24 B12R1.27 COC(=O)CCC1=CC=CC=C1 18417 [2,0,0,0,0,0|0,0,1]=3 25 B12R1.27 COC(=O)COC1=CC=CC=C1 12489 [2,0,0,0,0,0|1,0,0]=3 26 B12R1.27 COC(=O)CSC1=CC=CC=C1 10851 [2,0,0,0,0,0|1,0,0]=3 27 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 8189 [2,0,0,0,0,0|0,0,1]=3 28 B12R1.30 CCCCC(=O)C1=CC=CC=C1 25461 [2,0,0,0,0,0|0,0,1]=3 29 B12R1.30 CNCCC(=O)C1=CC=CC=C1 20705 [2,0,0,0,0,0|1,0,1]=4 30 B12R1.107 CC(=O)CC(=O)C1=CC=NC=C1 16697 [2,0,0,0,0,0|1,0,0]=3 31 B12R1.107 CC(=O)CC(=O)C1=NC=CC=C1 35878 [2,0,0,0,0,0|1,0,0]=3 32 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 13889 [2,0,0,0,0,0|1,0,1]=4 33 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 17293 [2,0,0,0,0,0|1,0,1]=4 34 B12R1.107 N[C@@H](CC(=O)O)c1ccccc1 5926 [2,0,0,0,0,0|1,0,1]=4 35 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 14014 [2,0,0,0,0,0|1,0,1]=4 36 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 5925 [2,0,0,0,0,0|1,0,1]=4 37 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 10700 [2,0,0,0,0,0|1,0,1]=4 38 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 13910 [2,0,0,0,0,0|0,0,2]=4 39 B14R1.10 COC(=O)CC(=O)C1=CC=C(Cl)C=C1 28888 [1,1,0,0,0,0|0,0,0]=2 40 B14R1.10 COC(=O)CC(=O)C1=CC=C(F)C=C1 16721 [1,1,0,0,0,0|0,0,0]=2 41 B14R1.11 COC(=O)CC(=O)C1=CC(Br)=CN=C1 23602 [1,1,0,0,0,0|1,0,0]=3 42 B14R1.587 COC(=O)CC(=O)C1=C(Cl)C=CC=C1 28887 [1,1,0,0,0,0|0,0,0]=2 43 B14R1.32 CCOC(=O)\C=C\C1=CC(Cl)=NC=C1 16688 [1,1,0,0,0,0|1,0,1]=4 44 B14R1.32 CCOC(=O)\C=C\C1=CC(N)=CC=C1 13751 [1,1,0,0,0,0|0,0,1]=3 45 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 19008 [1,1,0,0,0,0|0,0,1]=3 46 B14R1.502 CCOC(=O)C#CC1=CC=C(Cl)C=C1 12614 [1,1,0,0,0,0|0,0,2]=4 47 B14R1.502 CCOC(=O)CCC1=CC=C(N)C=C1 27582 [1,1,0,0,0,0|0,0,1]=3 48 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 20092 [1,1,0,0,0,0|0,0,1]=3 49 B14R1.502 CCOC(=O)\C=C\C1=CC=C(C)C=C1 8180 [1,1,0,0,0,0|0,0,1]=3 50 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Cl)C=C1 8172 [1,1,0,0,0,0|0,0,1]=3 51 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Cl)N=C1 26764 [1,1,0,0,0,0|1,0,1]=4 52 B14R1.502 CCOC(=O)\C=C\C1=CC=C(N)C=C1 8158 [1,1,0,0,0,0|0,0,1]=3 53 B14R1.502 CCOC(=O)\C=C\C1=CC=C(N)N=C1 26763 [1,1,0,0,0,0|1,0,1]=4 54 B14R1.502 CCOC(=O)\C=N\C1=CC=C(Br)C=C1 22847 [1,1,0,0,0,0|1,0,1]=4 55 B14R1.598 CCOC(=O)COC1=C(O)C=CC=C1 34170 [1,1,0,0,0,0|1,0,0]=3 56 B14R1.598 CCOC(=O)COC1=NC=CC=C1O 32295 [1,1,0,0,0,0|2,0,0]=4 57 B14R1.598 CCOC(=O)\C=C\C1=C(Br)C=CC=C1 16216 [1,1,0,0,0,0|0,0,1]=3 58 B14R1.598 CCOC(=O)\C=C\C1=CC=CN=C1Cl 16540 [1,1,0,0,0,0|1,0,1]=4 59 B14R1.35 CCOC(=O)C(=O)C1=CC=C(Cl)C=C1 22562 [0,1,0,0,1,0|0,0,0]=2 60 B14R1.35 CCOC(=O)C(=O)c1ccc(Br)cc1 10652 [0,1,0,0,1,0|0,0,0]=2 61 B14R1.35 CCOC(=O)C(C)C1=CC=C(N)C=C1 22952 [0,1,0,0,1,0|1,0,1]=4 62 B14R1.35 CCOC(=O)[C@H](N)C1=CC=C(O)C=C1 26599 [0,1,0,0,1,0|1,0,1]=4 63 B14R1.510 CCOC(=O)C(C)(C)C1=CC=CC=C1 27016 [0,1,0,0,1,0|1,0,1]=4 64 B14R1.510 CCOC(=O)C(Cl)(Cl)C1=CC=CC=C1 20253 [0,1,0,0,1,0|1,0,1]=4 65 B14R1.604 CCOC(=O)C(CN)C1=CC=CC=C1 16230 [0,1,0,0,1,0|1,0,1]=4 66 B14R1.3348 CCOC(=O)C(=O)C1=C(F)C=CC=C1 16722 [0,1,0,0,1,0|0,0,0]=2 67 B14R1.3348 CCOC(=O)C(Cl)C1=C(Cl)C=CC=C1 31447 [0,1,0,0,1,0|1,0,1]=4 68 B16R1.955 CCOC(=O)CC(=O)CC1=CC=C(C)C=C1 31836 [0,1,0,0,0,1|0,0,0]=2 69 B16R1.956 CCOC(=O)CC(=O)CC1=CC(Cl)=CC=C1 31833 [0,1,0,0,0,1|0,0,0]=2 70 B16R1.4218 CCOC(=O)CC(=O)C1=CC=C(OC)C=C1 2690 [0,2,0,0,0,0|0,0,0]=2 71 B16R1.24755 CCOC(=O)CC(=O)C1=C(Cl)C=C(Cl)C=C1 16789 [0,2,0,0,0,0|0,0,0]=2 72 B16R1.24755 CCOC(=O)CC(=O)C1=C(F)C=C(F)C=C1 16790 [0,2,0,0,0,0|0,0,0]=2 73 B16R1.4212 CCOC(=O)CC(=O)C1=C(F)C=CC(F)=C1 26068 [0,2,0,0,0,0|0,0,0]=2 74 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 16023 [1,0,0,1,0,0|0,0,2]=4 75 B14R2.1019 CCC1=NC2=CC=CC=C2C(=O)N1 22343 [1,0,0,1,0,0|2,0,0]=4 76 B14R2.7724 CN1C(=O)OC(=O)C2=C1C=CC=C2 12885 [1,0,0,1,0,0|2,0,0]=4 77 B16R2.725 CCOC(=O)C1CN1CC2=CC=CC=C2 17630 [0,0,0,1,0,1|2,0,0]=4 78 B16R2.734 CCOC(=O)CC1=NC2=C(C=CC=C2)S1 6352 [0,0,0,1,0,1|0,1,0]=3 79 B16R2.29842 CCOC(=O)C1=C(C)NC2=CC=CC=C21 7244 [0,0,0,1,0,1|1,0,1]=4 80 B16R2.3896 O=C1CCCCC1C(=O)C2=CC=CC=C2 34550 [0,1,0,1,0,0|1,0,0]=3 81 B16R2.757 CCOC(=O)C1=C(Br)C2=CC=CC=C2N1 2247 [0,1,0,1,0,0|1,0,1]=4 82 B16R2.757 CCOC(=O)C1OC2=NC=CC=C2C1=O 34619 [0,1,0,1,0,0|1,0,0]=3 83 B12R1.15 COC(=O)CC(=O)C1=CC=CO1 18772 [1,0,0,0,1,0|1,0,0]=3 84 B12R1.15 COC(=O)CC(=O)C1=CC=CS1 5573 [1,0,0,0,1,0|1,0,0]=3 85 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 20242 [1,0,0,0,1,0|0,0,0]=2 86 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 10350 [1,0,0,0,1,0|0,0,2]=4 87 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 13835 [1,0,0,0,1,0|0,0,2]=4 88 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 10946 [1,0,0,0,1,0|1,0,1]=4 89 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 18925 [1,0,0,0,1,0|1,0,1]=4 90 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 19021 [1,0,0,0,1,0|1,0,1]=4 91 B12R1.34 COC(=O)[C@H](O)c1ccccc1 10418 [1,0,0,0,1,0|0,0,2]=4 92 B12R1.34 COC(Br)C(=O)C1=CC=CC=C1 2120 [1,0,0,0,1,0|1,0,1]=4 93 B12R1.34 CON(C)C(=O)C1=CC=CC=C1 17496 [1,0,0,0,1,0|2,0,0]=4 94 B12R1.32 CCOC(=O)CC1=CC=CC=C1 15902 [1,0,0,0,1,0|0,0,0]=2 95 B12R1.32 CCOC(=O)CC1=CC=CN=C1 20506 [1,0,0,0,1,0|1,0,0]=3 96 B12R1.32 CCOC(=O)CC1=CC=NC=C1 12839 [1,0,0,0,1,0|1,0,0]=3 97 B12R1.32 CCOC(=O)CC1=NC=CC=N1 18563 [1,0,0,0,1,0|2,0,0]=4 98 B12R1.55 CCOC(=O)C(=O)C1=CC=CS1 7415 [0,0,0,0,2,0|1,0,0]=3 99 B14R1.743 COC(=O)CC(N)CC1=CC=CC=C1 25420 [1,0,0,0,0,1|1,0,1]=4 100 B14R1.520 CCOC(=O)CCNC1=NC=CC=C1 18107 [1,0,0,0,0,1|1,0,1]=4 101 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 10952 [1,0,0,0,0,1|0,0,1]=3 102 B16R1.934 CCOC(=O)NNC(=O)NC1=CC=CC=C1 25898 [0,0,0,0,0,2|1,0,0]=3 103 B16R1.1570 CCOC(=O)\C=C(/C)NCC1=CC=CC=C1 12806 [0,0,0,0,0,2|1,0,1]=4