0 B12R1.252 C[C@H](N)COCC1=CC=CC=C1 75113 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.252 C[C@H](O)CCCC1=CC=NC=C1 AT26625 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.28 O=CCCCC1=CC=NC=C1 P16930 [1,0,0,0,0,0|2,0,0]=3 3 B13R1.351 C[C@H](SCC1=CC=CC=C1)C(=O)O D85994 [0,1,0,0,0,0|3,0,0]=4 4 B13R1.351 O=C(O)C(=O)OCC1=CC=CC=C1 D76053 [0,1,0,0,0,0|3,0,0]=4 5 B13R1.513 O=C(O)CSCC1=CC=C(Br)C=C1 D85996 [0,1,0,0,0,0|3,0,0]=4 6 B13R2.10 O=C1CC[C@@H](C2=CC=NC=C2)N1 AT26736 [0,0,0,1,0,0|3,0,0]=4 7 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 94454 [0,0,0,1,0,0|1,0,0]=2 8 B13R2.10 O=C1NC[C@@H](C2=NC=CC=C2)N1 AC4396 [0,0,0,1,0,0|3,0,0]=4 9 B13R2.31 NC1CC(CC2=CC=CC=C2)C1 67221 [0,0,0,1,0,0|2,0,1]=4 10 B13R2.31 O=C1C[C@H](SC2=CC=CC=C2)N1 P12916 [0,0,0,1,0,0|2,0,0]=3 11 B13R2.72 O=C(O)[C@@H]1COC2=C1C=CC=C2 AT19703 [0,0,0,1,0,0|3,0,0]=4 12 B13R2.72 O=C(O)[C@@H]1COC2=C1C=CC=C2 AT19704 [0,0,0,1,0,0|3,0,0]=4 13 B13R2.423 CC(=O)C1CC1C2=CC=CC=C2 AT10245 [0,0,0,1,0,0|1,0,0]=2 14 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=NC=C2 F52504 [0,0,0,1,0,0|3,0,0]=4 15 B13R2.3122 CC1(C)NCCC2=C1C=CC=C2 D86211 [0,0,0,1,0,0|2,0,1]=4 16 B11R1.91 C[C@H](O)CCC1=CC=NC=C1 AT24513 [0,0,0,0,1,0|1,0,2]=4 17 B11R1.91 O=C(O)CCC1=NN=CC=C1 P18641 [0,0,0,0,1,0|3,0,0]=4 18 B12R1.43 N[13C@@H](CC1=CC=CC=C1)C(=O)O D98682 [0,1,0,0,1,0|1,0,0]=3 19 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 C11623 [0,1,0,0,1,0|2,0,0]=4 20 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 75062 [0,1,0,0,1,0|2,0,0]=4 21 B12R1.125 O=C(O)CCC1=CC=CN=C1Br F30825 [0,1,0,0,1,0|2,0,0]=4 22 B12R1.226 CC(=O)NCC1=NC(N)=CC=C1 D79722 [0,1,0,0,1,0|2,0,0]=4 23 B14R1.6449 O=C(O)[C@@H](O)COCC1=CC=CC=C1 78619 [0,1,0,0,0,1|2,0,0]=4 24 B14R1.687 CC1=C(F)C=CC(CCCC(=O)O)=C1 75927 [0,2,0,0,0,0|2,0,0]=4 25 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC(O)=CC=C1 AC3985 [0,2,0,0,0,0|2,0,0]=4 26 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(Br)=C1 AC7261 [0,2,0,0,0,0|2,0,0]=4 27 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(Cl)=C1 AC3585 [0,2,0,0,0,0|2,0,0]=4 28 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(F)=C1 AC3118 [0,2,0,0,0,0|2,0,0]=4 29 B14R1.337 CC1=C(C[C@@H](N)CC(=O)O)C=CC=C1 AC3565 [0,2,0,0,0,0|2,0,0]=4 30 B14R1.337 N[C@@H](CC(=O)O)CC1=C(Br)C=CC=C1 AC3578 [0,2,0,0,0,0|2,0,0]=4 31 B14R1.337 N[C@@H](CC(=O)O)CC1=C(Cl)C=CC=C1 AC3566 [0,2,0,0,0,0|2,0,0]=4 32 B14R1.337 N[C@@H](CC(=O)O)CC1=C(F)C=CC=C1 AC3575 [0,2,0,0,0,0|2,0,0]=4 33 B14R1.337 N[C@@H](CC(=O)O)CC1=C(O)C=CC=C1 AC4115 [0,2,0,0,0,0|2,0,0]=4 34 B14R1.698 CC1=CC=C(C[C@@H](N)CC(=O)O)C=C1 AC6182 [0,2,0,0,0,0|2,0,0]=4 35 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Br)C=C1 AC3569 [0,2,0,0,0,0|2,0,0]=4 36 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(F)C=C1 AC6608 [0,2,0,0,0,0|2,0,0]=4 37 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(I)C=C1 AC4113 [0,2,0,0,0,0|2,0,0]=4 38 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(O)C=C1 FD10308 [0,2,0,0,0,0|2,0,0]=4 39 B14R1.520 CCOC(=O)\C=C/CC1=CC=CC=C1 61580 [0,2,0,0,0,0|1,0,1]=4 40 B12R2.1 CN[C@H]1CCC2=C1C=CC=C2 AT22268 [1,0,0,1,0,0|2,0,0]=4 41 B12R2.1 CN[C@H]1CCC2=C1C=CC=C2 AT22269 [1,0,0,1,0,0|2,0,0]=4 42 B12R2.1 O=C[C@@H]1COC2=C1C=CC=C2 AT24011 [1,0,0,1,0,0|2,0,0]=4 43 B12R2.2 C1=CC=C([C@@H]2CCON2)C=C1 E71447 [1,0,0,1,0,0|1,0,1]=4 44 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 W16102 [1,0,0,1,0,0|1,0,1]=4 45 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 W16103 [1,0,0,1,0,0|1,0,1]=4 46 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 P15109 [1,0,0,1,0,0|2,0,0]=4 47 B12R2.22 Br[C@H]1C[C@@H](C2=CC=CC=C2)C1 AT21926 [0,0,0,1,1,0|1,0,1]=4 48 B12R2.22 Br[C@H]1C[C@H](C2=CC=CC=C2)C1 AT21928 [0,0,0,1,1,0|1,0,1]=4 49 B12R2.22 O=C1CC(C2=CC=NC=C2)C1 F53800 [0,0,0,1,1,0|1,0,0]=3 50 B12R2.24 O=C1CC2=C(C=CN=C2)CN1 86460 [0,0,0,1,1,0|2,0,0]=4 51 B12R2.24 O=C1CCC2=C(C=NC=C2)N1 AC7087 [0,0,0,1,1,0|2,0,0]=4 52 B12R2.3190 CC(=O)[C@@H]1CC2=C1C=CC=C2 E72984 [0,0,0,1,1,0|0,0,0]=2 53 B12R2.3190 O=C(Cl)[C@@H]1CC2=C1C=CC=C2 E73149 [0,0,0,1,1,0|1,0,0]=3 54 B14R2.21 O=C1CCC[C@H](C2=CC=CC=C2)C1 T72643 [0,0,0,1,0,1|1,0,0]=3 55 B14R2.21 O=C1CCC[C@H](C2=CC=NC=C2)C1 79704 [0,0,0,1,0,1|2,0,0]=4 56 B14R2.21 O=C1CCC[C@H](C2=CN=CC=C2)C1 79669 [0,0,0,1,0,1|2,0,0]=4 57 B14R2.790 O=C(O)C[C@H]1C[C@@H]1C2=CC=CC=C2 E73141 [0,0,0,1,0,1|2,0,0]=4 58 B14R2.31359 CC(=O)N1CCOC2=C1C=CC=C2 AT25868 [0,0,0,1,0,1|1,0,0]=3 59 B14R2.31359 O=C(O)C1=CCCC2=C1C=CC=C2 AT23527 [0,0,0,1,0,1|2,0,0]=4 60 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 AT19643 [0,1,0,1,0,0|0,0,0]=2 61 B14R2.68 O=C1NN=C(C2=CC=CC=C2)CO1 D76100 [0,1,0,1,0,0|1,0,1]=4 62 B14R2.9520 O=C(O)C1CC1(F)C2=CC=CC=C2 CS1323 [0,1,0,1,0,0|2,0,0]=4 63 B14R2.9520 O=C(O)[C@@H]1C[C@@]1(F)C2=CC=CC=C2 AT23660 [0,1,0,1,0,0|2,0,0]=4 64 B14R2.9520 O=C(O)[C@H]1C[C@@]1(F)C2=CC=CC=C2 AT23661 [0,1,0,1,0,0|2,0,0]=4 65 B14R2.22 O=C1CC[C@@H](C2=CC=CC(Br)=C2)N1 74694 [0,1,0,1,0,0|2,0,0]=4 66 B14R2.300 CC(=O)[C@@H]1CCC2=CC(Br)=CN=C21 93547 [0,1,0,1,0,0|2,0,0]=4 67 B14R2.4476 CC1=CC=CC([C@H]2C[C@H]2C(=O)O)=C1 AT22296 [0,1,0,1,0,0|2,0,0]=4 68 B14R2.4476 NC1=CC=CC([C@H]2C[C@H]2C(=O)O)=C1 AT22287 [0,1,0,1,0,0|2,0,0]=4 69 B14R2.4476 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC(Br)=C2 AT22285 [0,1,0,1,0,0|2,0,0]=4 70 B14R2.4476 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC(Cl)=C2 AT22283 [0,1,0,1,0,0|2,0,0]=4 71 B14R2.4476 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC(F)=C2 AT22281 [0,1,0,1,0,0|2,0,0]=4 72 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC=CC(Br)=C2 AC8132 [0,1,0,1,0,0|2,0,0]=4 73 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC=CC(Cl)=C2 58113 [0,1,0,1,0,0|2,0,0]=4 74 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC=CC(F)=C2 AC8127 [0,1,0,1,0,0|2,0,0]=4 75 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC=CC(F)=C2 AC9143 [0,1,0,1,0,0|2,0,0]=4 76 B14R2.9057 O=C1CC(OC2=CC=CC(Br)=C2)C1 P13020 [0,1,0,1,0,0|2,0,0]=4 77 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)CC1 AT23526 [0,1,0,1,0,0|2,0,0]=4 78 B14R2.5443 CC1=C([C@H]2C[C@@H]2C(=O)O)C=CC=C1 AC8631 [0,1,0,1,0,0|2,0,0]=4 79 B14R2.5443 CC1=C([C@H]2C[C@@H]2C(=O)O)C=CC=C1 AC9524 [0,1,0,1,0,0|2,0,0]=4 80 B14R2.5443 O=C(O)[C@H]1C[C@@H]1C2=C(Br)C=CC=C2 AC8825 [0,1,0,1,0,0|2,0,0]=4 81 B14R2.5443 O=C(O)[C@H]1C[C@@H]1C2=C(F)C=CC=C2 AC8361 [0,1,0,1,0,0|2,0,0]=4 82 B14R2.5443 O=C(O)[C@H]1C[C@@H]1C2=C(F)C=CC=C2 AC9690 [0,1,0,1,0,0|2,0,0]=4 83 B14R2.598 CC1NC(=O)CC1C2=CC=CC=C2 D76767 [0,1,0,1,0,0|1,0,0]=3 84 B14R2.741 N[C@H]1CCC2=C(C=CC=C2)NC1=O AT16395 [0,1,0,1,0,0|2,0,0]=4 85 B14R2.20 O=C1CC[C@H](C2=CC=C(Cl)C=C2)C1 53473 [0,1,0,1,0,0|1,0,0]=3 86 B14R2.20 O=C1CC[C@H](C2=CC=C(F)C=C2)C1 53470 [0,1,0,1,0,0|1,0,0]=3 87 B14R2.4402 CC1=CC=C([C@H]2C[C@@H]2C(=O)O)C=C1 AC9626 [0,1,0,1,0,0|2,0,0]=4 88 B14R2.4402 CC1=CC=C([C@H]2C[C@@H]2C(=O)O)C=C1 AC9675 [0,1,0,1,0,0|2,0,0]=4 89 B14R2.4402 CC1=CC=C([C@H]2C[C@H]2C(=O)O)C=C1 AT22295 [0,1,0,1,0,0|2,0,0]=4 90 B14R2.4402 NC1=CC=C([C@H]2C[C@H]2C(=O)O)C=C1 AT22288 [0,1,0,1,0,0|2,0,0]=4 91 B14R2.4402 O=C(O)[C@@H]1C[C@@H]1C2=CC=C(Br)C=C2 AT22286 [0,1,0,1,0,0|2,0,0]=4 92 B14R2.4402 O=C(O)[C@@H]1C[C@@H]1C2=CC=C(Cl)C=C2 AT22284 [0,1,0,1,0,0|2,0,0]=4 93 B14R2.4402 O=C(O)[C@@H]1C[C@@H]1C2=CC=C(F)C=C2 AT22282 [0,1,0,1,0,0|2,0,0]=4 94 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(F)C=C2 96592 [0,1,0,1,0,0|2,0,0]=4 95 B14R2.8 NC[C@@H]1C[C@H](C2=CC=CC=C2)CO1 E72960 [0,1,0,1,0,0|1,0,1]=4 96 B14R2.958 COC(=O)[C@H]1C[C@@H]1C2=CN=CC=C2 F50025 [0,1,0,1,0,0|2,0,0]=4 97 B14R2.958 COC(=O)[C@H]1C[C@@H]1C2=CN=CC=C2 F50055 [0,1,0,1,0,0|2,0,0]=4 98 B14R2.3459 C[C@@]1(CN)OCCC2=C1C=CC=C2 E73156 [0,1,0,1,0,0|1,0,1]=4 99 B10R1.18 CC(=O)CC1=NC=CC=N1 P10714 [0,0,0,0,2,0|2,0,0]=4 100 B10R1.18 O=C(Cl)NC1=CC=CC=C1 D86031 [0,0,0,0,2,0|2,0,0]=4 101 B10R1.18 O=C(O)CC1=CC=CC=C1 AT24078 [0,0,0,0,2,0|1,0,0]=3 102 B14R1.422 O=C(O)CCC\C=C\C1=CC=CC=C1 92619 [0,0,0,0,0,2|2,0,0]=4