0 B29R2.1801054 CC(CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O)C(=O)O MCULE-8545948276 [0,0,0,0,0,0|0,0,0]=0 1 B29R2.1801054 C[C@H](C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O)C(=O)O MCULE-2797334197 [0,0,0,0,0,0|0,0,0]=0 2 B29R2.1801054 C[C@H](C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O)C(=O)O MCULE-6154638128 [0,0,0,0,0,0|0,0,0]=0 3 B31R2.29263498 CCOC(=O)C(C)CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O MCULE-9852011070 [0,2,0,0,0,0|0,0,0]=2 4 B31R2.29263498 CCOC(=O)C(C)CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)[O-] MCULE-7146045387 [0,2,0,0,0,0|0,0,1]=3 5 B31R2.29263498 CCOC(=O)[C@@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O MCULE-1797051138 [0,2,0,0,0,0|0,0,0]=2 6 B31R2.29263498 CCOC(=O)[C@@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O MCULE-7971595698 [0,2,0,0,0,0|0,0,0]=2 7 B31R2.29263498 CCOC(=O)[C@@H](C)C[C@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O MCULE-9567060010 [0,2,0,0,0,0|0,0,0]=2 8 B31R2.29263498 CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)/C=C\C(=O)O MCULE-5978064131 [0,2,0,0,0,0|0,0,2]=4 9 B31R2.29263498 CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)C=CC(=O)O MCULE-5123044143 [0,2,0,0,0,0|0,0,2]=4 10 B31R2.29263498 CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O MCULE-5146683218 [0,2,0,0,0,0|0,0,0]=2 11 B31R2.29263498 CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O MCULE-7702150566 [0,2,0,0,0,0|0,0,0]=2 12 B31R2.29263498 CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)[O-] MCULE-4794909863 [0,2,0,0,0,0|0,0,1]=3 13 B31R2.29263498 CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)[O-] MCULE-9596885796 [0,2,0,0,0,0|0,0,1]=3 14 B31R2.29263498 CCOC(=O)[C@H](C)C[C@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O MCULE-1115580679 [0,2,0,0,0,0|0,0,0]=2 15 B31R2.29263498 CCOC(=O)[C@H](C)C[C@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O MCULE-5571213754 [0,2,0,0,0,0|0,0,0]=2 16 B29R3.39773993 C[C@H](C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)N3C(=O)CCC3=O)C(=O)O MCULE-2647474918 [1,0,0,1,0,0|0,0,0]=2 17 B29R3.82753732 C[C@@H]1C[C@H](N(C1=O)C(=O)CCC(=O)O)CC2=CC=C(C=C2)C3=CC=CC=C3 MCULE-4704760368 [1,0,0,1,0,0|0,0,0]=2