0  B14R1.3  CC(OC1=CC=C(OC)C=C1)C(O)=O M10126516P [0,0,0,0,0,0|0,0,0]=0
1  B14R1.3  O=C(O)[C@@H](N)CC1=CC=C(CC)C=C1 M10191840P [0,0,0,0,0,0|3,0,0]=3
2  B14R1.3  O=C(O)[C@H](N)CC1=CC=C(CC)C=C1 M10944691P [0,0,0,0,0,0|3,0,0]=3
3  B14R1.3  O=C(O)[C@H](N)CC1=CC=C(OC)C=C1 M10240886P [0,0,0,0,0,0|2,0,0]=2
4  B13R1.3  O=C(O)CCC1=CC=C(C#N)C=C1 M10248378P [1,0,0,0,0,0|3,0,0]=4
5  B13R1.5  OCC(N)CC1=CC=C(OC)C=C1 M10804979P [1,0,0,0,0,0|2,0,1]=4
6  B13R1.133  N[C@@H](CC1=CC=C(C=C1)O)C([O-])=O M10715592P [1,0,0,0,0,0|2,0,1]=4
7  B13R1.133  O=C(O)C(CC1=CC=C(O)C=C1)=O M10005776P [1,0,0,0,0,0|2,0,1]=4
8  B13R1.133  O=C(O)C(N)CC1=CC=C(C)C=C1 M10064700P [1,0,0,0,0,0|2,0,0]=3
9  B13R1.133  O=C(O)[C@@H](N)CC1=CC=C(F)C=C1 M10027695P [1,0,0,0,0,0|3,0,0]=4
10  B13R1.133  O=C([O-])[C@@H](N)CC1=CC=C(O)C=C1 M10436242P [1,0,0,0,0,0|2,0,1]=4
11  B15R1.495  O=C(O)C(N)CC1=CC=C(C(C)=O)C=C1 M10177251P [0,1,0,0,0,0|3,0,0]=4
12  B15R2.4834  O=C(C1OC2=CC=C(OC)C=C2C1)O M10617763P [0,0,0,1,0,0|0,0,0]=1
13  B15R2.4834  O=C(C=1NC2=C(C1)C=CC(=C2)OC)O M10144764P [0,0,0,1,0,0|2,0,1]=4
14  B12R1.21  O=C(Cl)COC1=CC=C(Cl)C=C1 M10060252P [2,0,0,0,0,0|2,0,0]=4
15  B12R1.21  O=C(O)CCC1=CC=C(I)C=C1 M10034129P [2,0,0,0,0,0|2,0,0]=4
16  B12R1.21  O=C(O)CCC1=CC=C(N)C=C1 M10043302P [2,0,0,0,0,0|2,0,0]=4
17  B12R1.71  O=CCCC1=CC=C(OC)C=C1 M10165707P [2,0,0,0,0,0|1,0,0]=3
18  B14R1.419  O=C(O)COC1=CC=C(C(C)C)C=C1 M10034124P [1,1,0,0,0,0|1,0,0]=3
19  B14R1.215  O=CC(C)(C)CC1=CC=C(CC)C=C1 M10426571P [1,1,0,0,0,0|2,0,0]=4
20  B14R1.686  O=C(O)[C@H](N)CC1=CC=C(O)C(O)=C1 M10080506P [1,1,0,0,0,0|2,0,0]=4
21  B14R1.686  O=C(O)[C@H](O)CC1=CC=C(O)C(O)=C1 M10465231P [1,1,0,0,0,0|2,0,0]=4
22  B14R2.134  O=C1NC2=C(C=CC(OC)=C2)CC1 M10174093P [1,0,0,1,0,0|2,0,0]=4
23  B16R2.7476  O=C(C1COC2=C(C=C(OC)C=C2)C1)O M10809856P [0,0,0,1,0,1|0,0,0]=2
24  B16R2.3108  O=C([C@@H]1O[C@H]1C2=CC=C(OC)C=C2)OC M10658751P [0,1,0,1,0,0|2,0,0]=4
25  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
26  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
27  B12R1.20  OC(C1=CC=C(Cl)C=C1)C(O)=O M10101253P [1,0,0,0,1,0|2,0,0]=4