0 B12R1.32 CCOC(=O)CC1=CC=CN=C1 OR46218 [1,0,0,0,0,0|2,0,0]=3 1 B12R1.32 CCOC(=O)CC1=NC=CC=C1 OR24900 [1,0,0,0,0,0|2,0,0]=3 2 B12R1.32 CN(CCCl)CC1=CC=CC=C1 OR61419 [1,0,0,0,0,0|3,0,0]=4 3 B14R1.433 CC(C)(C)OC(=O)NC1=NC=CC=C1 OR40334 [0,1,0,0,0,0|3,0,0]=4 4 B14R2.19 NC1CCN(CC2=CC=CC=C2)C1 OR30970 [0,0,0,1,0,0|3,0,0]=4 5 B14R2.19 N[C@@H]1CCN(CC2=CC=CC=C2)C1 OR4624 [0,0,0,1,0,0|3,0,0]=4 6 B14R2.19 N[C@H]1CCN(CC2=CC=CC=C2)C1 OR4623 [0,0,0,1,0,0|3,0,0]=4 7 B14R2.19 O[C@@H]1CCN(CC2=CC=CC=C2)C1 OR4621 [0,0,0,1,0,0|3,0,0]=4 8 B14R2.19 O[C@H]1CCN(CC2=CC=CC=C2)C1 OR4620 [0,0,0,1,0,0|3,0,0]=4 9 B14R2.738 CC1CC(=O)NC2=CC=CC=C2N1 OR21103 [0,0,0,1,0,0|2,0,0]=3 10 B14R2.4893 CC1(N)CN(CC2=CC=CC=C2)C1 OR925898 [0,0,0,1,0,0|3,0,0]=4 11 B12R1.43 CC(Br)C(=O)NC1=CC=CC=C1 OR27916 [0,0,0,0,1,0|2,0,0]=3 12 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 OR52463 [0,0,0,0,1,0|2,0,0]=3 13 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 OR12814 [0,0,0,0,1,0|1,0,1]=3 14 B12R1.107 CN(C)CC(N)C1=CC=CC=C1 OR12706 [0,0,0,0,1,0|2,0,1]=4 15 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 OR54477 [0,0,0,0,0,1|1,0,1]=3 16 B11R1.28 BrCCCCC1=CC=CC=C1 OR8178 [2,0,0,0,0,0|1,0,1]=4 17 B11R1.28 CCCCCC1=NC=CC=C1 OR27869 [2,0,0,0,0,0|1,0,1]=4 18 B11R1.28 CCCCNC1=CC=CC=C1 OR18275 [2,0,0,0,0,0|1,0,1]=4 19 B11R1.28 CNCCCC1=CC=CC=C1 OR12552 [2,0,0,0,0,0|1,0,1]=4 20 B11R1.28 ClCCNCC1=CC=CC=C1 OR24839 [2,0,0,0,0,0|2,0,0]=4 21 B11R1.28 NCCCCC1=CC=CC=C1 OR5084 [2,0,0,0,0,0|1,0,1]=4 22 B11R1.28 NCCNCC1=CC=CC=C1 OR28924 [2,0,0,0,0,0|2,0,0]=4 23 B11R1.28 NCCOCC1=CC=CC=C1 OR14357 [2,0,0,0,0,0|2,0,0]=4 24 B11R1.28 NCCOCC1=CC=CC=C1 OR51851 [2,0,0,0,0,0|2,0,0]=4 25 B11R1.28 OCCCCC1=CC=CC=C1 OR0769 [2,0,0,0,0,0|1,0,1]=4 26 B11R1.40 CNC(=O)CC1=CC=CC=C1 OR16469 [2,0,0,0,0,0|1,0,0]=3 27 B11R1.40 NNC(=O)CC1=CC=CC=C1 OR310651 [2,0,0,0,0,0|2,0,0]=4 28 B11R1.40 O=C(CCl)NC1=CC=CC=C1 OR3397 [2,0,0,0,0,0|2,0,0]=4 29 B13R1.19 CCOC(=O)CC1=CC=C(Br)C=C1 OR18284 [1,1,0,0,0,0|1,0,0]=3 30 B13R1.19 CCOC(=O)CC1=CC=C(C)C=C1 OR5589 [1,1,0,0,0,0|1,0,0]=3 31 B13R1.19 CCOC(=O)CC1=CC=C(N)C=C1 OR10871 [1,1,0,0,0,0|1,0,0]=3 32 B13R1.19 CCOC(=O)CC1=CC=C(O)C=C1 OR25735 [1,1,0,0,0,0|1,0,0]=3 33 B13R1.19 O=C(CCBr)NC1=CC=C(Br)C=C1 OR26966 [1,1,0,0,0,0|2,0,0]=4 34 B13R1.20 CCOC(=O)CC1=CC=CC(N)=N1 OR54597 [1,1,0,0,0,0|2,0,0]=4 35 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 OR6395 [1,1,0,0,0,0|1,0,1]=4 36 B13R1.47 CCOC(=O)C(Br)C1=CC=CC=C1 OR59981 [1,1,0,0,0,0|1,0,0]=3 37 B13R1.47 CCOC(=O)C(C)C1=CC=CC=C1 OR0476 [1,1,0,0,0,0|1,0,0]=3 38 B13R1.47 CCOC(=O)C(N)C1=CC=CC=C1 OR26810 [1,1,0,0,0,0|1,0,0]=3 39 B13R1.47 CCOC(=O)[C@H](N)C1=CC=CC=C1 OR302702 [1,1,0,0,0,0|1,0,0]=3 40 B13R1.470 CCOC(=O)CC1=C(Br)C=CC=C1 OR26136 [1,1,0,0,0,0|1,0,0]=3 41 B13R1.470 CCOC(=O)CC1=NC=CC=C1N OR305412 [1,1,0,0,0,0|2,0,0]=4 42 B13R1.513 CN(C)CCCC1=CC=C(N)C=C1 OR7681 [1,1,0,0,0,0|1,0,1]=4 43 B13R1.718 CC(CO)COCC1=CC=CC=C1 OR8171 [1,1,0,0,0,0|1,0,0]=3 44 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 OR307134 [1,1,0,0,0,0|2,0,0]=4 45 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 OR40516 [1,1,0,0,0,0|2,0,0]=4 46 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 OR307133 [1,1,0,0,0,0|2,0,0]=4 47 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 OR40517 [1,1,0,0,0,0|2,0,0]=4 48 B13R1.718 OCC(O)COCC1=CC=CC=C1 OR7701T [1,1,0,0,0,0|2,0,0]=4 49 B13R1.718 OC[C@@H](O)COCC1=CC=CC=C1 OR315177 [1,1,0,0,0,0|2,0,0]=4 50 B13R1.133 CN(C)C(=O)CC1=CC=C(O)C=C1 OR10858 [0,1,0,0,1,0|1,0,0]=3 51 B13R1.132 CC(=O)CC(=O)C1=CC=C(Cl)C=C1 OR12581 [0,1,0,0,1,0|1,0,1]=4 52 B13R1.132 CC(C)NC(=O)C1=CC=C(Br)C=C1 OR11629 [0,1,0,0,1,0|1,0,0]=3 53 B13R1.132 CC(C)NC(=O)C1=NC=C(Br)C=C1 OR11920 [0,1,0,0,1,0|2,0,0]=4 54 B13R1.147 CC(C)NC(=O)C1=CC(N)=CC=C1 OR52660 [0,1,0,0,1,0|1,0,0]=3 55 B13R1.201 CC(C)NC(=O)C1=C(Br)C=CC=C1 OR3590 [0,1,0,0,1,0|1,0,0]=3 56 B13R1.201 CC(C)OC(=O)C1=CC=CC=C1Br OR26849 [0,1,0,0,1,0|1,0,0]=3 57 B15R1.5802 CC(C)(C)OC(=O)NC1=CC=CC=C1N OR01702 [0,2,0,0,0,0|2,0,0]=4 58 B15R1.913 CC(C)(C)OC(=O)CC1=CC=C(N)C=C1 OR01647 [0,2,0,0,0,0|1,0,0]=3 59 B15R1.913 CC(C)(C)OC(=O)NC1=CC=C(Br)C=C1 OR10620 [0,2,0,0,0,0|2,0,0]=4 60 B15R1.8303 CC(C)(C)NC(=O)CC1=CC(Br)=CC=C1 OR3539 [0,2,0,0,0,0|1,0,0]=3 61 B15R1.8303 CC(C)(C)OC(=O)NC1=CC=CC(N)=C1 OR305002 [0,2,0,0,0,0|2,0,0]=4 62 B13R2.15 O=C1CCCC1C2=NC=CC=C2 OR8148 [1,0,0,1,0,0|1,0,0]=3 63 B13R2.15 O=C1NCCN1C2=CC=CC=C2 OR01734 [1,0,0,1,0,0|2,0,0]=4 64 B13R2.26 CCCC1=NC2=CC=CC=C2N1 OR110235 [1,0,0,1,0,0|2,0,0]=4 65 B13R2.26 CCCC1=NC2=CC=CC=C2S1 OR110338 [1,0,0,1,0,0|1,1,0]=4 66 B13R2.64 C1=CC=C(CC2CCCN2)C=C1 OR12512 [1,0,0,1,0,0|1,0,1]=4 67 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 OR315270 [1,0,0,1,0,0|2,0,0]=4 68 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O OR110335 [0,0,0,1,1,0|2,0,0]=4 69 B13R2.435 CC(C)C1=NC2=C(C=CC=C2)N1 OR3278 [0,0,0,1,1,0|2,0,0]=4 70 B15R2.993 CC(C)CC1C(=O)NC2=CC=CC=C21 OR01754 [0,0,0,1,0,1|1,0,0]=3 71 B15R2.27 O=C1CC(=O)CC(C2=CC=CC=C2)C1 OR11080 [0,0,0,1,0,1|1,0,1]=4 72 B15R2.27 O=C1CC(=O)CC(C2=CC=CC=C2)C1 OR300698 [0,0,0,1,0,1|1,0,1]=4 73 B15R2.327 CC1(C)OC(=O)N[C@@H]1C2=CC=CC=C2 OR40633 [0,0,0,1,0,1|1,0,0]=3 74 B15R2.31 CC1CN(CC2=CC=CC=C2)CCN1 OR16022 [0,1,0,1,0,0|2,0,0]=4 75 B15R2.13973 CC1(C)OC(=O)NC2=CC=C(Br)C=C21 OR13683 [0,1,0,1,0,0|2,0,0]=4 76 B15R2.15 NCC1CCN(CC2=CC=CC=C2)C1 OR3729 [0,1,0,1,0,0|2,0,0]=4 77 B11R1.16 CCCC(=O)C1=CC=CC=C1 OR60127 [1,0,0,0,1,0|0,0,0]=2 78 B11R1.16 CCOC(=O)C1=CC=NC=C1 OR1918 [1,0,0,0,1,0|2,0,0]=4 79 B11R1.16 CCOC(=O)C1=NC=CC=C1 OR4533 [1,0,0,0,1,0|2,0,0]=4 80 B11R1.16 N#CCC(=O)C1=CC=CC=C1 OR5834 [1,0,0,0,1,0|1,0,1]=4 81 B11R1.16 O=C(CCCl)C1=CC=CC=C1 OR2891 [1,0,0,0,1,0|1,0,0]=3 82 B11R1.16 O=C(CCCl)C1=CC=CC=C1 OR8787 [1,0,0,0,1,0|1,0,0]=3 83 B11R1.30 CCOC(=O)CC1=CC=CS1 OR14483 [1,0,0,0,1,0|2,0,0]=4 84 B11R1.91 CC(N)CCC1=CC=CC=C1 OR5082 [1,0,0,0,1,0|1,0,0]=3 85 B11R1.91 CN(C)CCC1=NC=CC=C1 OR28892 [1,0,0,0,1,0|2,0,0]=4 86 B11R1.91 C[C@@H](O)CCC1=CC=CC=C1 OR304056 [1,0,0,0,1,0|1,0,0]=3 87 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 OR907023 [0,0,0,0,2,0|1,0,0]=3 88 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 OR17914 [1,0,0,0,0,1|1,0,0]=3 89 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 OR346330 [1,0,0,0,0,1|1,0,0]=3 90 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 OR14083 [1,0,0,0,0,1|1,0,1]=4 91 B13R1.42 N#CCC(=O)OCC1=CC=CC=C1 OR2049 [1,0,0,0,0,1|1,0,1]=4