0 B14R1.3 CCC1=CC=C(C[C@@H](N)C(=O)O)C=C1 BB31-7166 [0,0,0,0,0,0|2,0,1]=3 1 B14R1.3 COC1=CC=C(OC(C)C(=O)Cl)C=C1 BB55-5199 [0,0,0,0,0,0|3,0,1]=4 2 B14R1.3 COC1=CC=C(OC(C)C(=O)O)C=C1 BB55-3801 [0,0,0,0,0,0|2,0,1]=3 3 B13R1.3 COC1=CC=C(CCC(C)=O)C=C1 BB54-1640 [1,0,0,0,0,0|1,0,1]=3 4 B13R1.3 COC1=CC=C(CNC(N)=O)C=C1 BB01-7607 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.3 COC1=CC=C(NCC(=O)O)C=C1 BB58-0807 [1,0,0,0,0,0|1,0,1]=3 6 B13R1.3 COC1=CC=C(OCC(=O)Cl)C=C1 BB55-5195 [1,0,0,0,0,0|2,0,1]=4 7 B13R1.3 CSC1=CC=C(OCC(=O)O)C=C1 BB55-4256 [1,0,0,0,0,0|1,1,1]=4 8 B13R1.5 COC1=CC=C(CC(N)CO)C=C1 BB31-3467 [1,0,0,0,0,0|1,0,2]=4 9 B13R1.5 COC1=CC=C(C\C(N)=N\O)C=C1 BB01-3934 [1,0,0,0,0,0|2,0,0]=3 10 B13R1.133 CC(OC1=CC=C(O)C=C1)C(=O)O BB12-1748 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.133 NC1=CC=C(CC(N)C(=O)O)C=C1 BB12-2267 [1,0,0,0,0,0|2,0,1]=4 12 B15R1.3 COC(=O)C(N)CC1=CC=C(OC)C=C1 BB20-3463 [0,1,0,0,0,0|1,0,1]=3 13 B15R1.3 COC1=CC=C(NC(=O)C(=O)NN)C=C1 BB12-2635 [0,1,0,0,0,0|2,0,0]=3 14 B15R1.16 CCOC1=CC=C(C[C@H](N)C(=O)O)C=C1 BB32-1596 [0,1,0,0,0,0|1,0,1]=3 15 B15R1.495 CC(=O)C1=CC=C(C[C@@H](N)C(=O)O)C=C1 BB32-0209 [0,1,0,0,0,0|2,0,1]=4 16 B15R1.495 CC(C)C1=CC=C(C[C@H](N)C(=O)O)C=C1 BB31-7682 [0,1,0,0,0,0|2,0,1]=4 17 B15R1.495 CN(C)C1=CC=C(CC(N)C(=O)O)C=C1 BB31-7061 [0,1,0,0,0,0|2,0,1]=4 18 B15R2.4834 CCC1=CC=C2C=C(C(=O)O)NC2=C1 BB56-1105 [0,0,0,1,0,0|2,0,1]=4 19 B15R2.4834 CCC1=CC=C2NC(C(=O)O)=CC2=C1 BB56-0421 [0,0,0,1,0,0|3,0,0]=4 20 B15R2.4834 COC1=CC2=C(C=C1)C=C(C(=O)O)S2 BB58-1553 [0,0,0,1,0,0|0,1,1]=3 21 B15R2.4834 COC1=CC=C2C=C(C(=O)O)OC2=C1 BB54-3997 [0,0,0,1,0,0|0,0,2]=3 22 B15R2.4834 COC1=CC=C2OC(C(=O)O)=CC2=C1 BB54-2039 [0,0,0,1,0,0|2,0,0]=3 23 B15R2.4834 CSC1=CC=C2C=C(C(=O)O)NC2=C1 BB56-1150 [0,0,0,1,0,0|1,1,1]=4 24 B15R2.21336 COC1=CC=C2NC(=O)C(=O)NC2=C1 BB57-5786 [0,0,0,1,0,0|2,0,0]=3 25 B13R1.36 CCC1=CC=C(C(N)C(=O)O)C=C1 BB56-0235 [0,0,0,0,1,0|2,0,1]=4 26 B13R1.36 COC1=CC=C(C(N)C(=O)O)C=C1 BB56-0264 [0,0,0,0,1,0|1,0,1]=3 27 B13R1.36 CSC1=CC=C(C(N)C(=O)O)C=C1 BB56-0269 [0,0,0,0,1,0|1,1,1]=4 28 B15R1.204 COC1=CC=C(C[C@@H](N)CC(=O)O)C=C1 BB31-3645 [0,0,0,0,0,1|1,0,1]=3 29 B15R1.204 COC1=CC=C(NC(=O)CC(C)=O)C=C1 BB10-1091 [0,0,0,0,0,1|2,0,0]=3 30 B12R1.21 CC1=CC=C(CNC(N)=O)C=C1 BB01-7609 [2,0,0,0,0,0|2,0,0]=4 31 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 BB12-2588 [2,0,0,0,0,0|1,0,1]=4 32 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB05-4599 [2,0,0,0,0,0|1,0,1]=4 33 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 BB54-2898 [2,0,0,0,0,0|1,0,1]=4 34 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 BB17-2516 [2,0,0,0,0,0|1,0,1]=4 35 B12R1.71 C(=O)NCC1=CC=C(CC)C=C1 BB20-4803 [2,0,0,0,0,0|2,0,0]=4 36 B12R1.4 CCC1=CC=C(CC(=O)O)C=C1 BB55-6334 [2,0,0,0,0,0|1,0,0]=3 37 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 BB55-4698 [2,0,0,0,0,0|1,0,0]=3 38 B14R1.2 CCC1=CC=C(C(N)CC(=O)O)C=C1 BB56-0118 [1,1,0,0,0,0|1,0,1]=4 39 B14R1.2 CSC1=CC=C(C(N)CC(=O)O)C=C1 BB56-0228 [1,1,0,0,0,0|0,1,1]=4 40 B14R1.5 COC1=CC=C(CNC(=O)CBr)C=C1 BB17-0261 [1,1,0,0,0,0|2,0,0]=4 41 B14R1.5 COC1=CC=C(COC(=O)CCl)C=C1 BB17-2021 [1,1,0,0,0,0|2,0,0]=4 42 B14R1.3653 COC1=C(N)C=C(\C=C\C(=O)O)C=C1 BB17-2792 [1,1,0,0,0,0|0,0,1]=3 43 B14R1.7 COC(=O)C(N)C1=CC=C(OC)C=C1 BB31-1937 [1,1,0,0,0,0|2,0,0]=4 44 B14R1.954 CCC1=CC=C(NC(=O)\C=N/O)C=C1 BB12-1593 [1,1,0,0,0,0|2,0,0]=4 45 B14R1.134 CC1=CC=C(NC(=O)C(=O)NN)C=C1 BB12-2600 [1,1,0,0,0,0|2,0,0]=4 46 B14R1.686 CC1=C(C)C=C(C[C@H](N)C(=O)O)C=C1 BB31-8341 [1,1,0,0,0,0|1,0,1]=4 47 B14R1.686 CC1=C(F)C=C(CC(N)C(=O)O)C=C1 BB32-0531 [1,1,0,0,0,0|1,0,1]=4 48 B14R1.686 N[C@H](CC1=CC(F)=C(O)C=C1)C(=O)O BB32-3015 [1,1,0,0,0,0|1,0,1]=4 49 B14R1.6049 CC1=CC(C)=C(C[C@H](N)C(=O)O)C=C1 BB31-4361 [1,1,0,0,0,0|1,0,1]=4 50 B14R1.141 CCOC1=CC=C(C(N)C(=O)O)C=C1 BB56-0301 [0,1,0,0,1,0|1,0,1]=4 51 B14R1.213 COC1=CC=C(C(C)(C)C(=O)O)C=C1 BB57-7173 [0,1,0,0,1,0|1,0,1]=4 52 B14R1.3652 COC1=CC=C(C(N)C(=O)O)C=C1C BB56-0300 [0,1,0,0,1,0|1,0,1]=4 53 B14R1.3652 COC1=CC=C(C(N)C(=O)O)C=C1Cl BB56-0282 [0,1,0,0,1,0|1,0,1]=4 54 B16R1.201 COC1=CC=C(NC(=O)C\C(N)=N\O)C=C1 BB54-3205 [0,1,0,0,0,1|2,0,0]=4 55 B16R1.7180 CCOC1=CC=C(NC(=O)CC(C)=O)C=C1 BB05-2919 [0,1,0,0,0,1|2,0,0]=4 56 B16R1.219 COC(=O)\C(=C\C1=CC=C(OC)C=C1)CN BB58-4484 [0,2,0,0,0,0|1,0,1]=4 57 B14R2.3274 COC1=CC2=C(C=C1)NC(=O)C2=O BB55-2379 [1,0,0,1,0,0|1,0,0]=3 58 B14R2.4402 CC1=CC=C(C2CC2C(=O)O)C=C1 BB05-2373 [1,0,0,1,0,0|1,0,1]=4 59 B14R2.4529 CC1=CC2=C(C=C1)N=C(C(=O)O)N2 BB12-2742 [1,0,0,1,0,0|2,0,0]=4 60 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=C1 BB56-1149 [1,0,0,1,0,0|1,0,1]=4 61 B14R2.4529 CC1=CC=C2NC(C(=O)O)=CC2=C1 BB01-5002 [1,0,0,1,0,0|2,0,0]=4 62 B14R2.8239 CC1=CC=C2NC(=O)C(=O)NC2=C1 BB57-5886 [1,0,0,1,0,0|2,0,0]=4 63 B14R2.8239 O=C1NC2=C(C=C(O)C=C2)OC1=O BB54-5616 [1,0,0,1,0,0|1,0,0]=3 64 B16R2.7527 COC1=CC2=C(C=C1)OC(C)=C2C(=O)O BB54-3130 [0,0,0,1,0,1|2,0,0]=4 65 B16R2.39460 COC1=CC2=C(C=C1)C(Cl)=C(C(=O)O)S2 BB55-0080 [0,1,0,1,0,0|0,1,1]=4 66 B16R2.39460 COC1=CC=C2C(=C1)C=C(C(=O)O)N2C BB55-3915 [0,1,0,1,0,0|2,0,0]=4 67 B16R2.6257 CC(CC1=CC2=C(C=C1)OCO2)C(=O)O BB05-3258 [0,1,0,1,0,0|1,0,1]=4 68 B16R2.6257 NC(=O)C(=O)NC1=CC=C2OCOC2=C1 BB54-3105 [0,1,0,1,0,0|2,0,0]=4 69 B16R2.28287 CCOC1=CC=C2C=C(C(=O)O)NC2=C1 BB56-0741 [0,1,0,1,0,0|1,0,1]=4 70 B16R2.7486 COC1=CC2=C(C=C1)N=C(C(=O)O)C=C2 BB57-3641 [0,1,0,1,0,0|2,0,0]=4 71 B16R2.7486 COC1=CC=C2C=C(C(=O)O)C=CC2=C1 BB57-5964 [0,1,0,1,0,0|1,0,1]=4 72 B16R2.7526 COC1=CC=C2NC(C(=O)O)=C(C)C2=C1 BB57-0318 [0,1,0,1,0,0|2,0,0]=4 73 B16R2.7526 COC1=CC=C2OC(C(=O)O)=C(C)C2=C1 BB53-1808 [0,1,0,1,0,0|2,0,0]=4 74 B12R1.5 C#CC(=O)C1=CC=C(OC)C=C1 BB54-5201 [1,0,0,0,1,0|1,0,1]=4 75 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 BB26-0170 [1,0,0,0,1,0|1,0,1]=4 76 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 BB32-3804 [1,0,0,0,1,0|1,0,1]=4 77 B12R1.20 CC1=CC=C([C@H](N)C(=O)O)C=C1 BB31-8873 [1,0,0,0,1,0|1,0,1]=4 78 B16R1.4 CCC1=CC=C(NC(=O)\C=C\C(=O)O)C=C1 BB01-7513 [0,0,0,0,0,2|2,0,0]=4