0 B14R1.3 C=C(C)C(=O)NC1=CC=C(OC)C=C1 BB31-7080 [0,0,0,0,0,0|3,0,0]=3 1 B13R1.3 COC1=CC=C(C#CC(=O)O)C=C1 BB32-1274 [1,0,0,0,0,0|0,0,2]=3 2 B13R1.3 COC1=CC=C(\C=C\B(O)O)C=C1 BB31-7336 [1,0,0,0,0,0|1,0,2]=4 3 B13R1.5 CCC(=O)NC1=CC=C(OC)C=C1 BB31-4450 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.133 CC(CC1=CC=C(F)C=C1)C(=O)O BB32-0888 [1,0,0,0,0,0|2,0,1]=4 5 B13R1.133 O=C(O)C(O)CC1=CC=C(Cl)C=C1 BB31-4228 [1,0,0,0,0,0|1,0,2]=4 6 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(F)C=C1 BB31-1106 [1,0,0,0,0,0|1,0,2]=4 7 B15R1.495 CC(=O)C1=CC=C(C[C@H](N)C(=O)O)C=C1 BB31-2357 [0,1,0,0,0,0|2,0,1]=4 8 B15R1.495 O=C(O)C(=O)CC1=CC=C([N+](=O)[O-])C=C1 BB32-1611 [0,1,0,0,0,0|2,0,0]=3 9 B15R2.4834 COC1=CC2=C(C=C1)SC(C(=O)O)=C2 BB31-4197 [0,0,0,1,0,0|2,0,0]=3 10 B15R2.4834 COC1=CC2=C(C=N1)NC(C(=O)O)=C2 BB32-0620 [0,0,0,1,0,0|3,0,0]=4 11 B15R2.4834 COC1=CC2=NC(C(=O)O)=CN2C=C1 BB31-1616 [0,0,0,1,0,0|2,0,1]=4 12 B12R1.21 CC1=CC=C(C#CC(=O)O)C=C1 BB31-7651 [2,0,0,0,0,0|0,0,2]=4 13 B12R1.21 NC(=O)CCC1=CC=C(O)C=C1 BB31-8097 [2,0,0,0,0,0|1,0,1]=4 14 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB12-5412 [2,0,0,0,0,0|1,0,1]=4 15 B12R1.4 COC1=CN=C(CC(=O)O)C=C1 BB32-0118 [2,0,0,0,0,0|1,0,0]=3 16 B12R1.49 CCC(=O)CC1=CC=C(C)C=C1 BB31-5466 [2,0,0,0,0,0|1,0,1]=4 17 B12R1.43 O=C(O)[C@H](Br)CC1=CC=CC=C1 BB31-7674 [2,0,0,0,0,0|1,0,1]=4 18 B14R1.5 COC(=O)C#CC1=CC=C(OC)C=C1 BB31-7091 [1,1,0,0,0,0|0,0,2]=4 19 B14R1.103 COC1=CC(F)=C(\C=C\C(=O)O)C=C1 BB31-7015 [1,1,0,0,0,0|0,0,1]=3 20 B14R1.142 CCOC1=CC=C(OCC(=O)O)C=C1 BB12-5425 [1,1,0,0,0,0|1,0,1]=4 21 B14R1.3653 COC1=C(O)C=C(CCC(=O)O)C=C1 BB31-8944 [1,1,0,0,0,0|0,0,1]=3 22 B14R1.686 N[C@@H](CC1=CC(F)=C(O)C=C1)C(=O)O BB31-5790 [1,1,0,0,0,0|1,0,1]=4 23 B14R1.686 O=C(O)C(=O)CC1=CC(O)=C(O)C=C1 BB32-1699 [1,1,0,0,0,0|0,0,0]=2 24 B14R1.6049 CC1=CC(C)=C(C[C@@H](N)C(=O)O)C=C1 BB31-7720 [1,1,0,0,0,0|1,0,1]=4 25 B14R1.7626 C[C@@](N)(CC1=CC=C(O)C=C1)C(=O)O BB31-7077 [1,1,0,0,0,0|1,0,1]=4 26 B14R2.134 COC1=CC2=C(C=C1)N=CC(=O)N2 BB32-2749 [1,0,0,1,0,0|2,0,0]=4 27 B14R2.3304 COC1=CC2=C(C=C1)C=C(C=O)S2 BB31-9501 [1,0,0,1,0,0|0,1,1]=4 28 B14R2.3304 COC1=CC2=C(C=C1)NC(C=O)=C2 BB31-8142 [1,0,0,1,0,0|2,0,0]=4 29 B14R2.3304 COC1=CC2=C(C=C1)OC(C=O)=C2 BB31-4207 [1,0,0,1,0,0|2,0,0]=4 30 B14R2.3304 COC1=CC2=C(C=C1)SC(C=O)=C2 BB32-3355 [1,0,0,1,0,0|2,0,0]=4 31 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)O2 BB31-7591 [1,0,0,1,0,0|0,0,2]=4 32 B14R2.4529 CC1=CC2=C(C=C1)OC(C(=O)O)=C2 BB31-0318 [1,0,0,1,0,0|2,0,0]=4 33 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)O1 BB31-4948 [1,0,0,1,0,0|0,0,2]=4 34 B16R2.7476 COC1=CC=C2OCC(C(=O)O)=CC2=C1 BB51-1485 [0,0,0,1,0,1|1,0,0]=3 35 B16R2.7604 COC(=O)C1=NC2=C(C=CC(OC)=C2)O1 BB32-2678 [0,1,0,1,0,0|2,0,0]=4 36 B16R2.37661 COC1=CC2=C(C=C1)NC(=O)C(C=O)=C2 BB31-1006 [0,1,0,1,0,0|2,0,0]=4 37 B16R2.39460 COC1=CC2=C(C=C1)C(C)=C(C(=O)O)O2 BB31-8969 [0,1,0,1,0,0|0,0,2]=4 38 B16R2.6257 O=C(O)C(=O)NC1=CC2=C(C=C1)OCO2 BB52-9546 [0,1,0,1,0,0|1,0,0]=3 39 B16R2.7486 COC1=CC=C2C=C(C(=O)O)C=NC2=C1 BB32-2697 [0,1,0,1,0,0|1,0,1]=4 40 B16R2.7486 COC1=CC=C2C=C(C(=O)O)COC2=C1 BB51-1491 [0,1,0,1,0,0|0,0,2]=4 41 B16R2.7486 COC1=CC=C2CC(C(=O)O)COC2=C1 BB51-2730 [0,1,0,1,0,0|0,0,2]=4 42 B16R2.37660 COC1=CC2=C(C=C1)C=C(C=O)C(=O)N2 BB31-0194 [0,1,0,1,0,0|1,0,1]=4 43 B12R1.20 O=C(C1=CC=C(O)C=C1)C(O)O BB31-3862 [1,0,0,0,1,0|0,0,2]=4 44 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 BB32-3698 [1,0,0,0,1,0|1,0,0]=3 45 B12R1.20 O=C(O)C(=O)C1=CC=C(O)C=C1 BB31-2963 [1,0,0,0,1,0|0,0,0]=2