0 B11R1.40 C[C@@H](Cc1ccccc1)NC CHEBI:35340 [1,0,0,0,0,0|1,0,0]=2 1 B11R1.40 C[C@@H](Cc1ccccc1)NC CHEBI:6809 [1,0,0,0,0,0|1,0,0]=2 2 B11R1.40 C[C@@H](Cc1ccccc1)[NH2+]C CHEBI:132297 [1,0,0,0,0,0|1,0,0]=2 3 B13R1.418 CN[C@@H](Cc1ccccc1)C(=O)O CHEBI:43980 [0,1,0,0,0,0|3,0,0]=4 4 B13R1.418 C[NH2+][C@@H](Cc1ccccc1)C(=O)[O-] CHEBI:61883 [0,1,0,0,0,0|3,0,0]=4 5 B13R2.64 c1ccc(cc1)CC2=NCCN2 CHEBI:28502 [0,0,0,1,0,0|2,0,1]=4 6 B13R1.417 CN\C(=N/C)\NCc1ccccc1 CHEBI:37937 [0,0,0,0,0,1|2,0,1]=4 7 B13R1.417 CN\C(=[NH+]/C)\NCc1ccccc1 CHEBI:31279 [0,0,0,0,0,1|2,0,1]=4 8 B10R1.17 CCCCc1ccccc1 CHEBI:44194 [2,0,0,0,0,0|1,0,0]=3 9 B10R1.17 CNCCc1ccccn1 CHEBI:35677 [2,0,0,0,0,0|2,0,0]=4 10 B10R1.17 c1ccc(cc1)CCC#N CHEBI:85426 [2,0,0,0,0,0|2,0,0]=4 11 B10R1.18 CC(=O)Cc1ccccc1 CHEBI:52052 [2,0,0,0,0,0|0,0,2]=4 12 B10R1.18 CC(C)Cc1ccccc1 CHEBI:43261 [2,0,0,0,0,0|0,0,0]=2 13 B10R1.18 CC(Cc1ccccc1)N CHEBI:132233 [2,0,0,0,0,0|1,0,0]=3 14 B10R1.18 CC(Cc1ccccc1)N CHEBI:51063 [2,0,0,0,0,0|1,0,0]=3 15 B10R1.18 C[C@@H](Cc1ccccc1)N CHEBI:4469 [2,0,0,0,0,0|1,0,0]=3 16 B10R1.18 C[C@@H](Cc1ccccc1)N CHEBI:51064 [2,0,0,0,0,0|1,0,0]=3 17 B10R1.18 C[C@H](Cc1ccccc1)N CHEBI:42724 [2,0,0,0,0,0|1,0,0]=3 18 B10R1.18 c1ccc(cc1)CC(=O)O CHEBI:30745 [2,0,0,0,0,0|0,0,2]=4 19 B12R1.34 CC(=NC)[C@@H](c1ccccc1)O CHEBI:16825 [1,1,0,0,0,0|1,0,1]=4 20 B12R1.34 CN(C(=O)c1ccccc1)OC CHEBI:59742 [1,1,0,0,0,0|1,0,1]=4 21 B12R1.34 C[C@@H]([C@@H](c1ccccc1)O)NC CHEBI:15407 [1,1,0,0,0,0|1,0,0]=3 22 B12R1.34 C[C@@H]([C@@H](c1ccccc1)O)[NH2+]C CHEBI:57295 [1,1,0,0,0,0|1,0,0]=3 23 B12R1.34 C[C@@H]([C@H](c1ccccc1)O)NC CHEBI:51209 [1,1,0,0,0,0|1,0,0]=3 24 B12R1.34 C[C@@H]([C@H](c1ccccc1)O)NC CHEBI:8604 [1,1,0,0,0,0|1,0,0]=3 25 B12R1.34 C[C@@H]([C@H](c1ccccc1)O)[NH2+]C CHEBI:132296 [1,1,0,0,0,0|1,0,0]=3 26 B12R1.43 c1ccc(cc1)CC(C(=O)O)O CHEBI:25998 [1,1,0,0,0,0|2,0,0]=4 27 B12R1.43 c1ccc(cc1)CC(C(=O)[O-])O CHEBI:8100 [1,1,0,0,0,0|2,0,0]=4 28 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O CHEBI:43065 [1,1,0,0,0,0|2,0,0]=4 29 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])O CHEBI:32979 [1,1,0,0,0,0|2,0,0]=4 30 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O CHEBI:32978 [1,1,0,0,0,0|2,0,0]=4 31 B12R1.43 c1ccc(cc1)C[C@H](C(=O)[O-])O CHEBI:11009 [1,1,0,0,0,0|2,0,0]=4 32 B12R1.49 COC(=O)Cc1ccc(cc1)O CHEBI:68078 [1,1,0,0,0,0|0,0,2]=4 33 B12R1.49 C[C@@H](Cc1ccc(cc1)O)NC CHEBI:76833 [1,1,0,0,0,0|1,0,0]=3 34 B14R2.114 CC(c1ccccc1)C2OCCO2 CHEBI:87596 [0,1,0,1,0,0|0,0,0]=2 35 B10R1.15 CCC(C)c1ccccc1 CHEBI:35097 [1,0,0,0,1,0|1,0,0]=3 36 B10R1.15 CC[C@@H](C)c1ccccc1 CHEBI:39013 [1,0,0,0,1,0|1,0,0]=3 37 B10R1.15 CC[C@H](C)c1ccccc1 CHEBI:39014 [1,0,0,0,1,0|1,0,0]=3 38 B10R1.15 COC(=O)c1ccccc1 CHEBI:72775 [1,0,0,0,1,0|0,0,2]=4 39 B10R1.15 c1ccc(cc1)C(C#N)O CHEBI:16910 [1,0,0,0,1,0|2,0,0]=4 40 B10R1.15 c1ccc(cc1)C(CN)O CHEBI:16343 [1,0,0,0,1,0|2,0,0]=4 41 B10R1.15 c1ccc(cc1)C(C[NH3+])O CHEBI:57741 [1,0,0,0,1,0|2,0,0]=4 42 B10R1.15 c1ccc(cc1)[C@@H](C#N)O CHEBI:36941 [1,0,0,0,1,0|2,0,0]=4 43 B10R1.15 c1ccc(cc1)[C@H](C#N)O CHEBI:18450 [1,0,0,0,1,0|2,0,0]=4 44 B12R1.27 c1ccc(cc1)NCC(CO)O CHEBI:53758 [1,0,0,0,0,1|2,0,0]=4