0 B14R0.115 N=C(NCCCC(N)C(=O)O)NN(=O)=O MCULE-1213701360 [0,0,0,0,0,0|0,0,2]=2 1 B14R0.115 N=C(NCCC[C@@H](N)C(=O)O)N[N+](=O)[O-] MCULE-7998399344 [0,0,0,0,0,0|0,0,0]=0 2 B14R0.115 N=C(NCCC[C@@H](N)C(=O)O)N[N+](=O)[O-] MCULE-9450808136 [0,0,0,0,0,0|0,0,0]=0 3 B14R0.115 N=C(NCCC[C@H](N)C(=O)O)N[N+](=O)[O-] MCULE-5614821266 [0,0,0,0,0,0|0,0,0]=0 4 B14R0.115 N=C(NCCC[C@H](N)C(=O)O)N[N+](=O)[O-] MCULE-6760819058 [0,0,0,0,0,0|0,0,0]=0 5 B13R0.91 C=CCC(=N)NCCC[C@H](N)C(=O)O MCULE-1028443766 [1,0,0,0,0,0|3,0,0]=4 6 B13R0.91 C=CCC(=N)NCCC[C@H](N)C(=O)O MCULE-4666168187 [1,0,0,0,0,0|3,0,0]=4 7 B13R0.91 CCCC(=N)NCCC[C@H](N)C(=O)O MCULE-3925424238 [1,0,0,0,0,0|3,0,0]=4 8 B13R0.91 CCCC(=N)NCCC[C@H](N)C(=O)O MCULE-5887869461 [1,0,0,0,0,0|3,0,0]=4 9 B15R0.1702 COC(=O)C(N)CCCNC(=N)NN(=O)=O MCULE-1139235357 [0,1,0,0,0,0|0,0,2]=3 10 B15R0.1702 COC(=O)C(N)CCCNC(=N)NN(=O)=O MCULE-3221597865 [0,1,0,0,0,0|0,0,2]=3 11 B15R0.1702 COC(=O)[C@@H](N)CCCNC(=N)N[N+](=O)[O-] MCULE-1319570596 [0,1,0,0,0,0|0,0,0]=1 12 B15R0.1702 COC(=O)[C@@H](N)CCCNC(=N)N[N+](=O)[O-] MCULE-1361197995 [0,1,0,0,0,0|0,0,0]=1 13 B15R0.1702 COC(=O)[C@@H](N)CCCNC(=N)N[N+](=O)[O-] MCULE-2972896498 [0,1,0,0,0,0|0,0,0]=1 14 B15R0.1702 COC(=O)[C@@H](N)CCCNC(=N)N[N+](=O)[O-] MCULE-8253517449 [0,1,0,0,0,0|0,0,0]=1 15 B15R0.1702 COC(=O)[C@H](N)CCC/N=C(\N)/N[N+](=O)[O-] MCULE-3171627162 [0,1,0,0,0,0|0,0,2]=3 16 B15R0.1702 COC(=O)[C@H](N)CCC/N=C(\N)/N[N+](=O)[O-] MCULE-4271870316 [0,1,0,0,0,0|0,0,2]=3 17 B15R0.1702 COC(=O)[C@H](N)CCCNC(=N)N[N+](=O)[O-] MCULE-3492821285 [0,1,0,0,0,0|0,0,0]=1 18 B15R0.1702 COC(=O)[C@H](N)CCCNC(=N)N[N+](=O)[O-] MCULE-8538804148 [0,1,0,0,0,0|0,0,0]=1 19 B15R0.2682 N=C(NCCCC(N)C(=O)O)NP(=O)(O)O MCULE-4107223227 [0,1,0,0,0,0|0,1,1]=3 20 B13R0.353 CN(C)C(=N)NCCCC(N)C(=O)O MCULE-4428494644 [0,0,0,0,1,0|2,0,1]=4 21 B13R0.353 CN(C)C(=N)NCCCC(N)C(=O)O MCULE-7145196655 [0,0,0,0,1,0|2,0,1]=4 22 B13R0.353 CN(C)C(=N)NCCC[C@@H](N)C(=O)O MCULE-3916969169 [0,0,0,0,1,0|2,0,1]=4 23 B13R0.353 CN(C)C(=N)NCCC[C@H](N)C(=O)O MCULE-4775960538 [0,0,0,0,1,0|2,0,1]=4 24 B13R0.353 CN(C)C(=N)NCCC[C@H](N)C(=O)O MCULE-7242807635 [0,0,0,0,1,0|2,0,1]=4 25 B13R0.353 CN(C)C(=N)NCCC[C@H](N)C(=O)O MCULE-9302419275 [0,0,0,0,1,0|2,0,1]=4 26 B15R0.374 N=C(NCCC[C@H](N)C(=O)O)NCC(=O)O MCULE-8556192138 [0,0,0,0,0,1|1,0,1]=3 27 B12R0.186 CCC(=N)NCCC[C@H](N)C(=O)O MCULE-5572284521 [2,0,0,0,0,0|2,0,0]=4 28 B12R0.186 CCC(=N)NCCC[C@H](N)C(=O)O MCULE-9860243160 [2,0,0,0,0,0|2,0,0]=4 29 B12R0.186 CNC(=N)NCCCC(N)C(=O)O MCULE-3120898540 [2,0,0,0,0,0|1,0,0]=3 30 B12R0.186 CNC(=N)NCCCC(N)C(=O)O MCULE-3301375059 [2,0,0,0,0,0|1,0,0]=3 31 B12R0.186 CNC(=N)NCCC[C@H](N)C(=O)O MCULE-1797380040 [2,0,0,0,0,0|1,0,0]=3 32 B12R0.186 CNC(=N)NCCC[C@H](N)C(=O)O MCULE-2048487137 [2,0,0,0,0,0|1,0,0]=3 33 B12R0.186 CNC(=N)NCCC[C@H](N)C(=O)O MCULE-4043013639 [2,0,0,0,0,0|1,0,0]=3 34 B12R0.186 CNC(=N)NCCC[C@H](N)C(=O)O MCULE-7261766442 [2,0,0,0,0,0|1,0,0]=3 35 B12R0.186 CSC(=N)NCCC[C@H](N)C(=O)O MCULE-5223449899 [2,0,0,0,0,0|2,0,0]=4 36 B12R0.186 CSC(=N)NCCC[C@H](N)C(=O)O MCULE-7858319216 [2,0,0,0,0,0|2,0,0]=4 37 B12R0.186 N=C(NN)NCCC[C@H](N)C(=O)O MCULE-2418194249 [2,0,0,0,0,0|0,0,1]=3 38 B12R0.186 N=C(NN)NCCC[C@H](N)C(=O)O MCULE-6985568991 [2,0,0,0,0,0|0,0,1]=3 39 B12R0.186 N=C(NO)NCCC[C@H](N)C(=O)O MCULE-1051612567 [2,0,0,0,0,0|0,0,1]=3 40 B12R0.186 N=C(NO)NCCC[C@H](N)C(=O)O MCULE-1231852000 [2,0,0,0,0,0|0,0,1]=3 41 B14R0.157 CCCNC(=N)NCCC[C@H](N)C(=O)O MCULE-3489283216 [1,1,0,0,0,0|2,0,0]=4 42 B14R0.157 CCCNC(=N)NCCC[C@H](N)C(=O)O MCULE-5604194870 [1,1,0,0,0,0|2,0,0]=4 43 B16R0.1932 CC(NC(=N)NCCC[C@H](N)C(=O)O)C(=O)O MCULE-1275425093 [0,1,0,0,0,1|1,0,1]=4 44 B14R1.1475 O=C(O)[C@@H]1CCCN/C(=N\[N+](=O)[O-])/N1 MCULE-2066650775 [1,0,0,1,0,0|0,0,2]=4