0 B14R1.3 C=C(C)C(=O)NC1=CC=C(OC)C=C1 M15869 [0,0,0,0,0,0|3,0,0]=3 1 B14R1.3 COC1=CC=C(CC(=O)N(C)C)C=C1 D8738 [0,0,0,0,0,0|3,0,0]=3 2 B14R1.3 COC1=CC=C(C[C@@H](N)C(=O)O)C=C1 M8809 [0,0,0,0,0,0|1,0,1]=2 3 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 M5028 [0,0,0,0,0,0|1,0,1]=2 4 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 T10362 [0,0,0,0,0,0|1,0,1]=2 5 B14R1.3 COC1=CC=C(NC(=S)C(N)=O)C=C1 M9455 [0,0,0,0,0,0|2,1,0]=3 6 B14R1.3 N#CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 C12691 [0,0,0,0,0,0|3,0,1]=4 7 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 M0256 [1,0,0,0,0,0|0,0,1]=2 8 B13R1.3 N#CC1=CC=C(\C=C\C(=O)O)C=C1 C7943 [1,0,0,0,0,0|2,0,1]=4 9 B13R1.3 O=CC1=CC=C(\C=C\C(=O)O)C=C1 F8058 [1,0,0,0,0,0|2,0,1]=4 10 B13R1.133 C[C@@H](OC1=CC=C(O)C=C1)C(=O)O H8280 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(O)C=C1 T2383 [1,0,0,0,0,0|2,0,1]=4 12 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O F2315 [1,0,0,0,0,0|2,0,1]=4 13 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O I0355 [1,0,0,0,0,0|2,0,1]=4 14 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 A5097 [1,0,0,0,0,0|2,0,1]=4 15 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O B10803 [1,0,0,0,0,0|2,0,1]=4 16 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O C0354 [1,0,0,0,0,0|2,0,1]=4 17 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O F6348 [1,0,0,0,0,0|2,0,1]=4 18 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O I6328 [1,0,0,0,0,0|2,0,1]=4 19 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O T19184 [1,0,0,0,0,0|1,0,1]=3 20 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O B10804 [1,0,0,0,0,0|2,0,1]=4 21 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O C9004 [1,0,0,0,0,0|2,0,1]=4 22 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O F8323 [1,0,0,0,0,0|2,0,1]=4 23 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O T6097 [1,0,0,0,0,0|1,0,1]=3 24 B15R1.208 COC1=CC=C(CC(CN)C(=O)O)C=C1 A18171 [0,1,0,0,0,0|1,0,1]=3 25 B15R1.495 O=C(O)C(=O)NC1=CC=C([N+](=O)[O-])C=C1 N9447 [0,1,0,0,0,0|3,0,0]=4 26 B15R2.4834 COC1=CC2=C(C=C1)C=C(C(=O)O)N2 M8640 [0,0,0,1,0,0|1,0,1]=3 27 B15R2.4834 COC1=CC2=C(C=C1)C=C(C(=O)O)N2 M8640 [0,0,0,1,0,0|1,0,1]=3 28 B15R2.4834 COC1=CC2=C(C=C1)NC(C(=O)O)=C2 M8639 [0,0,0,1,0,0|2,0,0]=3 29 B13R1.36 CCC1=CC=C(C(N)C(=O)O)C=C1 A13184 [0,0,0,0,1,0|2,0,1]=4 30 B13R1.36 COC1=CC=C(C(N)C(=O)O)C=C1 A15381 [0,0,0,0,1,0|1,0,1]=3 31 B13R1.36 COC1=CC=C(C(N)C(=O)O)C=C1 M12692 [0,0,0,0,1,0|1,0,1]=3 32 B15R1.204 COC1=CC=C(NC(=O)CC(C)=O)C=C1 A9329 [0,0,0,0,0,1|2,0,0]=3 33 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 H0461 [2,0,0,0,0,0|1,0,1]=4 34 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 M3913 [2,0,0,0,0,0|1,0,1]=4 35 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 M0221 [2,0,0,0,0,0|0,0,1]=3 36 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 A7581 [2,0,0,0,0,0|1,0,1]=4 37 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 B10266 [2,0,0,0,0,0|1,0,1]=4 38 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 C8385 [2,0,0,0,0,0|1,0,1]=4 39 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 F2688 [2,0,0,0,0,0|1,0,1]=4 40 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 H0304 [2,0,0,0,0,0|0,0,1]=3 41 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 F0226 [2,0,0,0,0,0|1,0,1]=4 42 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 H0216 [2,0,0,0,0,0|0,0,1]=3 43 B12R1.71 COC1=CC=C(CCC=O)C=C1 M7640 [2,0,0,0,0,0|0,0,1]=3 44 B12R1.71 COC1=CC=C(CN=C=O)C=C1 M7584 [2,0,0,0,0,0|1,0,1]=4 45 B12R1.4 CCC1=CC=C(CC(C)=O)C=C1 E7545 [2,0,0,0,0,0|1,0,1]=4 46 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 M13849 [2,0,0,0,0,0|2,0,0]=4 47 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 M4993 [2,0,0,0,0,0|0,0,0]=2 48 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 M1760 [2,0,0,0,0,0|0,0,1]=3 49 B12R1.4 O=C(O)CC1=CC=C(CCl)C=C1 C8389 [2,0,0,0,0,0|2,0,0]=4 50 B12R1.49 C=CC(=O)CC1=CC=C(F)C=C1 F15737 [2,0,0,0,0,0|2,0,0]=4 51 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 M7638 [2,0,0,0,0,0|2,0,0]=4 52 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 M7703 [2,0,0,0,0,0|2,0,0]=4 53 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B7538 [2,0,0,0,0,0|1,0,0]=3 54 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A5988 [2,0,0,0,0,0|1,0,1]=4 55 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O P0823 [2,0,0,0,0,0|1,0,1]=4 56 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 P7705 [2,0,0,0,0,0|0,0,2]=4 57 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H7711 [2,0,0,0,0,0|0,0,2]=4 58 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 P1200 [2,0,0,0,0,0|0,0,1]=3 59 B14R1.2 COC1=CC=C([C@@H](N)CC(=O)O)C=N1 A1935 [1,1,0,0,0,0|1,0,1]=4 60 B14R1.2 COC1=CC=C([C@H](N)CC(=O)O)C=N1 A1937 [1,1,0,0,0,0|1,0,1]=4 61 B14R1.2 COC1=NC=C(C(N)CC(=O)O)C=C1 A1938 [1,1,0,0,0,0|1,0,1]=4 62 B14R1.5 COC(=O)\C=C\C1=CC=C(OC)C=C1 M8684 [1,1,0,0,0,0|0,0,1]=3 63 B14R1.103 COC1=CC=C(\C=C\C(=O)O)C(O)=C1 H14839 [1,1,0,0,0,0|0,0,1]=3 64 B14R1.419 CN(C)C1=CC=C(\C=C\C(=O)O)C=C1 D8647 [1,1,0,0,0,0|1,0,1]=4 65 B14R1.3653 COC1=CC=C(\C=C\C(=O)O)C=C1F F8842 [1,1,0,0,0,0|0,0,1]=3 66 B14R1.132 O=C(O)C(=O)C(O)C1=CC=C(O)C=C1 D11716 [1,1,0,0,0,0|0,0,0]=2 67 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 T8807 [1,1,0,0,0,0|1,0,1]=4 68 B14R1.536 CC1=CC=C(CC(CN)C(=O)O)C=C1 A14554 [1,1,0,0,0,0|1,0,1]=4 69 B14R1.536 CC1=CC=C(\C=C(/C#N)C(=O)O)C=C1 C8479 [1,1,0,0,0,0|1,0,1]=4 70 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O L4600 [1,1,0,0,0,0|1,0,1]=4 71 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O L4600 [1,1,0,0,0,0|1,0,1]=4 72 B14R1.6049 NC(CC1=C(F)C=C(O)C=C1)C(=O)O A14565 [1,1,0,0,0,0|1,0,1]=4 73 B14R1.7626 C[C@@](N)(CC1=CC=C(O)C=C1)C(=O)O A8814 [1,1,0,0,0,0|1,0,1]=4 74 B14R1.8 COC1=CC=C(C(CN)C(=O)O)C=C1 A14511 [0,1,0,0,1,0|1,0,1]=4 75 B14R1.141 CCOC1=CC=C(C(N)C(=O)O)C=C1 A14481 [0,1,0,0,1,0|1,0,1]=4 76 B16R1.225 COC1=CC=C(C(F)(F)C(O)C(=O)O)C=C1 D14775 [0,2,0,0,0,0|0,0,2]=4 77 B16R1.4274 COC1=CC=C(C[C@H](N)C(=O)O)C=C1OC D7199 [0,2,0,0,0,0|1,0,1]=4 78 B14R2.134 COC1=CC2=C(C=C1)CCC(=O)C2 M8065 [1,0,0,1,0,0|1,0,1]=4 79 B14R2.134 COC1=CC2=C(C=CC(=O)O2)C=C1 M8057 [1,0,0,1,0,0|0,0,1]=3 80 B14R2.2332 COC1=CC2=C(C=C1)CC(=O)CC2 M8064 [1,0,0,1,0,0|1,0,1]=4 81 B14R2.3274 COC1=CC=C2NC(=O)C(=O)C2=C1 M12051 [1,0,0,1,0,0|1,0,0]=3 82 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)=C2 M19353 [1,0,0,1,0,0|2,0,0]=4 83 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=C1 M11952 [1,0,0,1,0,0|1,0,1]=4 84 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 H8087 [1,0,0,1,0,0|2,0,0]=4 85 B14R2.1815 COC1=CC=C2C(=O)C(=O)NC2=C1 C05984 [0,0,0,1,1,0|1,0,0]=3 86 B14R2.1815 COC1=CC=C2C(=O)C(=O)NC2=C1 C05984 [0,0,0,1,1,0|1,0,0]=3 87 B16R2.7527 COC1=CC2=C(C=C1)NC(C)=C2C(=O)O M14371 [0,0,0,1,0,1|2,0,0]=4 88 B16R2.28287 CCOC1=CC2=C(C=C1)C=C(C(=O)O)N2 E14799 [0,1,0,1,0,0|1,0,1]=4 89 B16R2.37660 COC1=CC=C2C=C(C=O)C(=O)NC2=C1 M14944 [0,1,0,1,0,0|1,0,1]=4 90 B12R1.5 CCC(=O)C1=CC=C(OC)C=C1 M1173 [1,0,0,0,1,0|1,0,1]=4 91 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 B0872 [1,0,0,0,1,0|1,0,1]=4 92 B12R1.5 COC1=CC=C(\C(N)=N/O)C=C1 H13794 [1,0,0,0,1,0|2,0,0]=4 93 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 C3480 [1,0,0,0,1,0|2,0,0]=4 94 B12R1.20 CC1=CC=C(C(C)C(=O)O)C=C1 M7642 [1,0,0,0,1,0|1,0,1]=4 95 B12R1.20 CC1=CC=C(C(O)C(=O)O)C=C1 H15811 [1,0,0,0,1,0|0,0,2]=4 96 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 H7018 [1,0,0,0,1,0|1,0,1]=4 97 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 H0212 [1,0,0,0,1,0|1,0,1]=4 98 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 H0212 [1,0,0,0,1,0|1,0,1]=4 99 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 M8773 [1,0,0,0,0,1|0,0,1]=3 100 B14R1.679 N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O T0363 [1,0,0,0,0,1|1,0,1]=4