0 B14R0.2681 CC(=O)NC(CCCNC(=N)N)C(=O)O Amb2714810 [0,0,0,0,0,0|0,0,0]=0 1 B14R0.2681 CC(=O)NC(CSCCC(=O)O)C(=O)O Amb32662696 [0,0,0,0,0,0|4,0,0]=4 2 B14R0.2681 CC(=O)N[C@@H](CCCNC(=N)N)B(O)O Amb33511841 [0,0,0,0,0,0|1,0,1]=2 3 B14R0.2681 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O Amb2732380 [0,0,0,0,0,0|0,0,0]=0 4 B14R0.2681 CC(=O)N[C@@H](CCCNC(N)=O)C(=O)O Amb16232063 [0,0,0,0,0,0|1,0,0]=1 5 B13R0.281 CCCCCCC(NC(C)=O)C(=O)O Amb32660489 [1,0,0,0,0,0|2,0,1]=4 6 B15R0.1577 COC(=O)[C@H](CCCNC(=N)N)NC(C)=O Amb22746933 [0,1,0,0,0,0|0,0,0]=1 7 B15R0.3324 CC(=O)NC(C)CCC(NC(C)=O)C(=O)O Amb32430241 [0,1,0,0,0,0|2,0,0]=3 8 B13R0.443 CC(=O)NC(CSCC(=O)O)C(=O)O Amb32668336 [0,0,0,0,1,0|3,0,0]=4 9 B13R0.443 CC(=O)N[C@@H](CSCC(=O)O)C(=O)O Amb32668767 [0,0,0,0,1,0|3,0,0]=4 10 B15R0.2663 CC(=O)NCCCC[C@H](NC(C)=O)C(=O)O Amb23439012 [0,0,0,0,0,1|2,0,0]=3 11 B15R0.2663 NC(=O)NCCCCC(NC(N)=O)C(=O)O Amb1153006 [0,0,0,0,0,1|2,0,0]=3 12 B12R0.120 C#CCCCC(NC(C)=O)C(=O)O Amb33042800 [2,0,0,0,0,0|1,0,1]=4 13 B12R0.120 C=CCCCC(NC(C)=O)C(=O)O Amb33042797 [2,0,0,0,0,0|1,0,0]=3 14 B12R0.120 C=CCOCC(NC(C)=O)C(=O)O Amb33309043 [2,0,0,0,0,0|2,0,0]=4 15 B12R0.120 CC(=O)NC(CCCC#N)C(=O)O Amb33127590 [2,0,0,0,0,0|0,0,2]=4 16 B12R0.120 CC(=O)NC(CCCCF)C(=O)O Amb33065408 [2,0,0,0,0,0|1,0,1]=4 17 B12R0.120 CC(=O)NC(CCCCO)C(=O)O Amb33036927 [2,0,0,0,0,0|1,0,1]=4 18 B12R0.120 CC(=O)N[C@@H](CCCCN)C(=O)O Amb8514726 [2,0,0,0,0,0|0,0,1]=3 19 B12R0.120 CCCCCC(NC(C)=O)C(=O)O Amb33309213 [2,0,0,0,0,0|1,0,1]=4 20 B12R0.120 COCCCC(NC(C)=O)C(=O)O Amb33042719 [2,0,0,0,0,0|1,0,1]=4 21 B12R0.120 CSCCCC(NC(C)=O)C(=O)O Amb33036957 [2,0,0,0,0,0|1,0,1]=4 22 B14R0.89 C=CCCCCCC(NC(C)=O)C(=O)O Amb21936741 [1,1,0,0,0,0|2,0,0]=4 23 B14R1.6455 CC(=O)N[C@H](C(=O)O)[C@H]1C=CCCC1 Amb28051893 [1,0,0,1,0,0|2,0,0]=4 24 B14R1.4256 O=C(O)CC1CC(=O)NC(C(=O)O)C1 Amb27832553 [0,0,0,1,1,0|2,0,0]=4 25 B16R2.24441 O=C(O)C1CCCC2C(=O)NCC(=O)N12 Amb18772051 [0,0,0,2,0,0|2,0,0]=4 26 B12R0.397 CC(=O)CCCC(NC=O)C(=O)O Amb33036582 [1,0,0,0,1,0|2,0,0]=4 27 B12R0.138 C=C(C)CCC(NC(C)=O)C(=O)O Amb33308627 [0,0,0,0,2,0|2,0,0]=4 28 B12R0.138 CC(=O)CCC(NC(C)=O)C(=O)O Amb33036575 [0,0,0,0,2,0|2,0,0]=4 29 B12R0.138 CC(=O)NC(CCC(=O)O)C(=O)O Amb533294 [0,0,0,0,2,0|2,0,0]=4 30 B12R0.138 CC(=O)NC(CCC(C)N)C(=O)O Amb32455360 [0,0,0,0,2,0|1,0,1]=4 31 B12R0.138 CC(=O)NC(CCC(N)=O)C(=O)O Amb6661579 [0,0,0,0,2,0|1,0,0]=3 32 B12R0.138 CC(=O)N[C@@H](CCC(=O)O)C(=O)O Amb2719700 [0,0,0,0,2,0|2,0,0]=4 33 B12R0.138 CC(=O)N[C@@H](CCC(N)=O)C(=O)O Amb3939919 [0,0,0,0,2,0|1,0,0]=3 34 B12R0.138 CC(=O)N[C@H](CCC(=O)O)C(=O)O Amb6295801 [0,0,0,0,2,0|2,0,0]=4