0 B14R1.7626 CC(=O)C(C)(Cl)CC1=CC=C(C=C1)Cl S567124 [0,0,0,0,0,0|3,0,0]=3 1 B14R1.7626 CC(C)(OC1=CC=C(C=C1)Br)C(=O)N S824909 [0,0,0,0,0,0|4,0,0]=4 2 B14R1.7626 CC(C)(OC1=CC=C(C=C1)Cl)C(=O)Cl PH011459 [0,0,0,0,0,0|4,0,0]=4 3 B14R1.7626 CC(C)(OC1=CC=C(C=C1)Cl)C(=O)N PH011082 [0,0,0,0,0,0|4,0,0]=4 4 B14R1.7626 CC(C)(OC1=CC=C(C=C1)F)C(=O)O PH010243 [0,0,0,0,0,0|3,0,0]=3 5 B14R1.7626 CC(C)(OC1=CC=C(C=C1)N)C(=O)O CDS017204 [0,0,0,0,0,0|3,0,0]=3 6 B14R1.7626 CC(N)(CC1=CC=C(C=C1)O)C(=O)O S783218 [0,0,0,0,0,0|0,0,0]=0 7 B14R1.7626 CC1=CC=C(C=C1)NC(C)(C)C(=O)O CBR01170 [0,0,0,0,0,0|3,0,0]=3 8 B14R1.7626 CC1=CC=C(C=C1)OC(C)(C)C(=O)N PH002851 [0,0,0,0,0,0|4,0,0]=4 9 B14R1.7626 CC1=CC=C(C=C1)OC(C)(C)C(=O)O CDS005609 [0,0,0,0,0,0|3,0,0]=3 10 B13R1.133 C/C(=C\C1=CC=C(C=C1)Cl)/C(=O)O S808687 [1,0,0,0,0,0|1,0,2]=4 11 B13R1.133 CC(=O)C(Cl)CC1=CC=C(C=C1)Cl S567140 [1,0,0,0,0,0|3,0,0]=4 12 B13R1.133 CC(CC1=CC=C(C=C1)O)C(=O)O PH008203 [1,0,0,0,0,0|0,0,0]=1 13 B13R1.133 CC(OC1=CC=C(C=C1)Br)C(=O)O CDS005545 [1,0,0,0,0,0|2,0,0]=3 14 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O R750298 [1,0,0,0,0,0|2,0,0]=3 15 B13R1.133 CC(OC1=CC=C(C=C1)F)C(=O)O PH009975 [1,0,0,0,0,0|2,0,0]=3 16 B13R1.133 CC1=CC=C(C=C1)/C=C(/C)\C(=O)O S280100 [1,0,0,0,0,0|1,0,2]=4 17 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O R245267 [1,0,0,0,0,0|1,0,0]=2 18 B13R1.133 CC1=CC=C(C=C1)CC(N)C(=O)O PH011203 [1,0,0,0,0,0|1,0,0]=2 19 B13R1.133 C[C@H](CC1=CC=C(C=C1)N)C(=O)O PH001854 [1,0,0,0,0,0|1,0,0]=2 20 B13R1.133 NC(CC1=CC=[N+](C=C1)[O-])C(=O)O PH003272 [1,0,0,0,0,0|1,0,1]=3 21 B13R1.1073 CC(=O)C(C)(Cl)CC1=CC=CC=C1 S567248 [1,0,0,0,0,0|2,0,0]=3 22 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)N PH007307 [1,0,0,0,0,0|2,0,0]=3 23 B13R1.1073 CC(C)(NC1=CC=CC=C1)P(=O)O PH009542 [1,0,0,0,0,0|3,0,0]=4 24 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)N PH001417 [1,0,0,0,0,0|3,0,0]=4 25 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O PH010089 [1,0,0,0,0,0|2,0,0]=3 26 B13R1.1073 CC(C)(SC1=CC=CC=C1)C(=O)O OTV000153 [1,0,0,0,0,0|2,0,0]=3 27 B13R1.1073 CC(O)C(C)(C)CC1=CC=CC=C1 S734535 [1,0,0,0,0,0|2,0,1]=4 28 B15R1.216 COC1=CC=C(C=C1)CC(C)(N)C(=O)O PH004962 [0,1,0,0,0,0|0,0,0]=1 29 B15R1.216 COC1=CC=C(C=C1)NC(C)(C)C(=O)O CBR02248 [0,1,0,0,0,0|2,0,0]=3 30 B15R1.11315 CC1=CC=C(C=C1)C(O)C(C)(C)C(=O)O L119342 [0,1,0,0,0,0|2,0,0]=3 31 B15R1.11316 CC1=CC(=CC=C1Cl)OC(C)(C)C(=O)O CDS005606 [0,1,0,0,0,0|3,0,0]=4 32 B15R1.29838 CC(C)(OC1=CC=C(C=C1F)F)C(=O)O CDS005570 [0,1,0,0,0,0|3,0,0]=4 33 B13R1.522 CC(O)(C(=O)O)C1=CC=C(C=C1)Cl OTV000770 [0,0,0,0,1,0|2,0,0]=3 34 B15R1.11336 CC(C)(CC1=CC=C(C=C1)Cl)NC(=O)N S411566 [0,0,0,0,0,1|3,0,0]=4 35 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O S755710 [2,0,0,0,0,0|2,0,0]=4 36 B12R1.21 CC1=CC=[N+](C=C1)CCC(=O)O OTV000678 [2,0,0,0,0,0|2,0,0]=4 37 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CDS020808 [2,0,0,0,0,0|1,0,0]=3 38 B12R1.21 O=C(O)CNC1=CC=C(C=C1)F T109797 [2,0,0,0,0,0|2,0,0]=4 39 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [2,0,0,0,0,0|1,0,0]=3 40 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [2,0,0,0,0,0|1,0,0]=3 41 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [2,0,0,0,0,0|1,0,0]=3 42 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O T214256 [2,0,0,0,0,0|1,0,0]=3 43 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O EME00360 [2,0,0,0,0,0|2,0,0]=4 44 B12R1.43 CN(CC1=CC=CC=C1)C(=O)Cl PH008817 [2,0,0,0,0,0|2,0,0]=4 45 B12R1.43 NC(CC1=CC=CC=N1)C(=O)O CDS020095 [2,0,0,0,0,0|1,0,0]=3 46 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O CDS020090 [2,0,0,0,0,0|1,0,0]=3 47 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [2,0,0,0,0,0|0,0,0]=2 48 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [2,0,0,0,0,0|1,0,0]=3 49 B12R1.43 O=C(O)C(O)CC1=CC=CN=C1 CDS008837 [2,0,0,0,0,0|2,0,0]=4 50 B12R1.43 O=C([O-])C(O)CC1=CC=CC=C1 S789089 [2,0,0,0,0,0|1,0,1]=4 51 B12R1.49 CNC(C)CC1=CC=C(C=C1)O S411558 [2,0,0,0,0,0|2,0,0]=4 52 B12R1.49 NC(CC1=CC=C(C=C1)O)N=O PH016710 [2,0,0,0,0,0|1,0,0]=3 53 B12R1.106 CC(C)(O)CC1=CC=C(C=C1)Cl R278378 [2,0,0,0,0,0|2,0,0]=4 54 B12R1.194 CC(C)(CO)CC1=CC=CC=C1 R425613 [2,0,0,0,0,0|1,0,1]=4 55 B14R1.3 C(=O)C1=CC=C(C=C1)OC(C)C(=O)O CBR00348 [1,1,0,0,0,0|1,0,1]=4 56 B14R1.3 CCC1=CC=C(C=C1)OC(C)C(=O)O TMT00016 [1,1,0,0,0,0|2,0,0]=4 57 B14R1.3 COC1=CC=C(C=C1)/C=C(\C)/C(=O)O PH011559 [1,1,0,0,0,0|0,0,2]=4 58 B14R1.3 COC1=CC=C(C=C1)CC(Br)C(=O)O L129216 [1,1,0,0,0,0|1,0,0]=3 59 B14R1.134 COC(=O)C(C)OC1=CC=C(C=C1)Br JRD1265 [1,1,0,0,0,0|2,0,0]=4 60 B14R1.134 COC(=O)C(C)OC1=CC=C(C=C1)C JRD1263 [1,1,0,0,0,0|2,0,0]=4 61 B14R1.134 COC(=O)C(C)OC1=CC=C(C=C1)Cl JRD1264 [1,1,0,0,0,0|2,0,0]=4 62 B14R1.134 COC(=O)C(C)OC1=CC=C(C=C1)F EME00163 [1,1,0,0,0,0|2,0,0]=4 63 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)Cl PH016711 [1,1,0,0,0,0|1,0,0]=3 64 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)O S457787 [1,1,0,0,0,0|0,0,0]=2 65 B14R1.536 COC(CC1=CC=C(C=C1)Br)C(=O)O PH018906 [1,1,0,0,0,0|1,0,0]=3 66 B14R1.536 COC(CC1=CC=C(C=C1)I)C(=O)O PH016333 [1,1,0,0,0,0|1,0,0]=3 67 B14R1.6049 CC(OC1=CC=C(C=C1Cl)F)C(=O)O CDS005564 [1,1,0,0,0,0|2,0,0]=4 68 B14R1.6049 CC1=CC=C(C(=C1)C)C[C@@H](N)C(=O)O CDS005520 [1,1,0,0,0,0|1,0,0]=3 69 B14R1.6049 CC1=CC=C(C(=C1)O)CC(N)C(=O)O S749745 [1,1,0,0,0,0|1,0,0]=3 70 B14R1.6049 NC(CC1=CC=C(C=C1Cl)Cl)C(=O)O PH010886 [1,1,0,0,0,0|1,0,0]=3 71 B14R1.4404 CC(C)(CC1=CC(=CC=C1)F)C(=O)O PH017258 [1,1,0,0,0,0|1,0,0]=3 72 B14R1.4404 CC(C)(OC1=CC=CC(=C1)Cl)C(=O)O CDS005607 [1,1,0,0,0,0|2,0,0]=4 73 B14R1.8844 CC(C#N)(CC1=CC=CC=C1)C(=O)N S12689 [1,1,0,0,0,0|1,0,1]=4 74 B14R1.8844 CC(C#N)(CC1=CC=CC=C1)C(=O)O S116548 [1,1,0,0,0,0|0,0,1]=3 75 B14R1.8844 CC(C#N)(CC1=CC=CC=C1)C(=O)O S120383 [1,1,0,0,0,0|0,0,1]=3 76 B14R1.8844 CC(C#N)(CC1=CC=CC=C1)C(=O)O S316059 [1,1,0,0,0,0|0,0,1]=3 77 B14R1.8844 CC(C#N)(CC1=CC=CC=C1)C(=O)O S490547 [1,1,0,0,0,0|0,0,1]=3 78 B14R1.213 COC1=CC=C(C=C1)C(C)(C)C(=O)O OTV000683 [0,1,0,0,1,0|1,0,0]=3 79 B14R1.4470 CC(C)(C(=O)O)C1=C(C=C(C=C1)Cl)Cl OTV000736 [0,1,0,0,1,0|2,0,0]=4 80 B16R1.76178 COC(=O)C(C)(N)CC1=CC=C(C(=C1)C)O S455326 [0,2,0,0,0,0|0,0,0]=2 81 B14R2.4529 CC1=CC=C2CC(CC2=C1)C(=O)O PH017368 [1,0,0,1,0,0|1,0,0]=3 82 B14R2.4529 CC1=CC=C2CC(SC2=C1)C(=O)O T326569 [1,0,0,1,0,0|2,0,0]=4 83 B14R2.4529 CC1=CC=C2NC(CC2=C1)C(=O)O CBR00777 [1,0,0,1,0,0|2,0,0]=4 84 B14R2.4529 O=C(O)C1=CC2=CC=C(C=C2N1)O CDS005384 [1,0,0,1,0,0|0,0,2]=4 85 B14R2.4529 O=C(O)C1CC2=C(O1)C=CC(=C2)F CDS023496 [1,0,0,1,0,0|2,0,0]=4 86 B14R2.4529 O=C(O)C1CC2=CC(=CC=C2N1)Cl CDS021216 [1,0,0,1,0,0|2,0,0]=4 87 B14R2.639 CC1(OC2=CC=CC=C2OC1=O)C T319716 [1,0,0,1,0,0|2,0,0]=4 88 B14R2.10595 CC1=CC=C(C=C1)C2(CC2)C(=O)O S448206 [0,0,0,1,1,0|2,0,0]=4 89 B14R2.10595 O=C(O)C1(CC1)C2=CC=C(C=C2)Br BBO000686 [0,0,0,1,1,0|2,0,0]=4 90 B14R2.10595 O=C(O)C1(CC1)C2=CC=C(C=C2)Br CDS013359 [0,0,0,1,1,0|2,0,0]=4 91 B14R2.10595 O=C(O)C1(CC1)C2=CC=C(C=C2)F BBO000772 [0,0,0,1,1,0|2,0,0]=4 92 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F S450359 [1,0,0,0,1,0|1,0,0]=3 93 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)O PH000116 [1,0,0,0,1,0|0,0,0]=2 94 B12R1.20 NC1=CC=C(C=C1)C(N)C(=O)O PH000028 [1,0,0,0,1,0|1,0,0]=3 95 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Cl CDS019939 [1,0,0,0,1,0|2,0,0]=4 96 B12R1.253 CC(=O)C(C)(O)C1=CC=CC=C1 S306045 [1,0,0,0,1,0|2,0,0]=4 97 B12R1.253 CC(=O)C(C)(O)C1=CC=CC=C1 S495409 [1,0,0,0,1,0|2,0,0]=4 98 B12R1.253 CC(C)(C(=O)N)C1=CC=CC=C1 PH011015 [1,0,0,0,1,0|2,0,0]=4 99 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 CDS000391 [1,0,0,0,1,0|1,0,0]=3 100 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 S116629 [1,0,0,0,1,0|0,0,0]=2 101 B12R1.253 CC(O)(C(=O)N)C1=CC=CC=C1 S888540 [1,0,0,0,1,0|2,0,0]=4 102 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 S315958 [1,0,0,0,1,0|1,0,0]=3 103 B14R1.679 CC(CNC1=CC=C(C=C1)Cl)C(=O)O PH010346 [1,0,0,0,0,1|1,0,0]=3 104 B14R1.679 CC1=CC=C(C=C1)CCC(O)C(=O)O PH008648 [1,0,0,0,0,1|2,0,0]=4 105 B14R1.698 CC(CC(=O)O)NC1=CC=C(C=C1)Cl R152048 [1,0,0,0,0,1|2,0,0]=4 106 B14R1.698 CC(CC(=O)O)SC1=CC=C(C=C1)Cl PH011455 [1,0,0,0,0,1|2,0,0]=4 107 B14R1.1485 CC(=O)NC(C)(C)CC1=CC=CC=C1 PH007623 [1,0,0,0,0,1|2,0,0]=4 108 B14R1.1485 CC(C)(CC(=O)O)SC1=CC=CC=C1 PH009204 [1,0,0,0,0,1|2,0,0]=4 109 B14R1.6395 CC(C)(CSC1=CC=CC=C1)C(=O)O PH004294 [1,0,0,0,0,1|1,0,0]=3 110 B14R1.694 CC1=CC=C(C=C1)C(C)(C)CC(=O)O CDS010801 [0,0,0,0,1,1|2,0,0]=4