0 B14R1.686 O=C(O)[C@H](N)CC1=CC=C(O)C(O)=C1 M10080506P [0,0,0,0,0,0|0,0,0]=0 1 B14R1.686 O=C(O)[C@H](O)CC1=CC=C(O)C(O)=C1 M10465231P [0,0,0,0,0,0|1,0,0]=1 2 B14R1.686 OC(CC1=CC=C(O)C(O)=C1)C([O-])=O M12028877P [0,0,0,0,0,0|1,0,1]=2 3 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C([O-])=O M10715592P [1,0,0,0,0,0|0,0,1]=2 4 B13R1.133 O=C(O)C(CC1=CC=C(O)C=C1)=O M10005776P [1,0,0,0,0,0|1,0,1]=3 5 B13R1.133 O=C(O)C(N)CC1=CC=C(C)C=C1 M10064700P [1,0,0,0,0,0|1,0,0]=2 6 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(F)C=C1 M10027695P [1,0,0,0,0,0|1,0,0]=2 7 B13R1.133 O=C([O-])[C@@H](N)CC1=CC=C(O)C=C1 M10436242P [1,0,0,0,0,0|0,0,1]=2 8 B13R1.148 O=C(O)C(N)CC1=CC=CC(Br)=C1 M10208881P [1,0,0,0,0,0|1,0,0]=2 9 B13R1.148 O=C(O)[C@@H](N)CC1=CC=CC(Br)=C1 M10486925P [1,0,0,0,0,0|1,0,0]=2 10 B13R1.148 O=C(O)[C@@H](N)CC1=CC=CC(O)=C1 M10014892P [1,0,0,0,0,0|0,0,0]=1 11 B13R1.148 O=C(O)[C@H](N)CC1=CC=CC(Br)=C1 M10637349P [1,0,0,0,0,0|1,0,0]=2 12 B15R1.4038 O=C(O)C(N)CC1=CC=C(O)C(OC)=C1 M10109377P [0,1,0,0,0,0|0,0,0]=1 13 B15R1.28955 O=C(O)[C@@H](N)CC1=CC(I)=C(O)C(I)=C1 M10157595P [0,1,0,0,0,0|1,0,0]=2 14 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 M10034129P [2,0,0,0,0,0|1,0,0]=3 15 B12R1.21 O=C(O)CCC1=CC=C(N)C=C1 M10043302P [2,0,0,0,0,0|1,0,0]=3 16 B12R1.21 O=C(O)CCC1=CC=C(N)N=C1 M10880145P [2,0,0,0,0,0|2,0,0]=4 17 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(N)=O M10415967P [2,0,0,0,0,0|1,0,0]=3 18 B12R1.49 OCC(N)CC1=CC=C(Cl)C=C1 M10227193P [2,0,0,0,0,0|1,0,1]=4 19 B12R1.50 OCC(N)CC1=CC=CC(Cl)=C1 M10234610P [2,0,0,0,0,0|1,0,1]=4 20 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 M10195642P [2,0,0,0,0,0|0,0,2]=4 21 B14R1.3 CC(OC1=CC=C(OC)C=C1)C(O)=O M10126516P [1,1,0,0,0,0|2,0,0]=4 22 B14R1.3 O=C(O)[C@@H](N)CC1=CC=C(CC)C=C1 M10191840P [1,1,0,0,0,0|1,0,0]=3 23 B14R1.3 O=C(O)[C@H](N)CC1=CC=C(CC)C=C1 M10944691P [1,1,0,0,0,0|1,0,0]=3 24 B14R1.3 O=C(O)[C@H](N)CC1=CC=C(OC)C=C1 M10240886P [1,1,0,0,0,0|0,0,0]=2 25 B14R1.153 O=C(O)[C@@H](N)CC1=CC=CC(F)=C1F M10849266P [1,1,0,0,0,0|1,0,0]=3 26 B14R1.42 O=C(O)\C=C\C1=CC=C(O)C(OC)=C1 M10800312P [1,1,0,0,0,0|0,0,2]=4 27 B14R2.4529 O=C(C=1NC2=C(C1)C=CC(=C2)O)O M10241468P [1,0,0,1,0,0|0,0,2]=4 28 B12R1.20 O=C(O)[C@@H](C1=CC=C(Cl)C=C1)O M10216318P [1,0,0,0,1,0|2,0,0]=4 29 B12R1.20 O=C(O)[C@H](C1=CC=C(Cl)C=C1)O M10464100P [1,0,0,0,1,0|2,0,0]=4 30 B12R1.20 OC(C1=CC=C(Cl)C=C1)C(O)=O M10101253P [1,0,0,0,1,0|2,0,0]=4 31 B12R1.225 O=C(O)C(N)C1=CC=CC(Cl)=C1 M10103510P [1,0,0,0,1,0|1,0,0]=3