0 B14R0.2681 CC(=O)NC(CCCNC(=N)N)C(=O)O MCULE-6341483502 [0,0,0,0,0,0|0,0,0]=0 1 B14R0.2681 CC(=O)NC(CCCNC(=O)N)C(=O)O MCULE-4292894856 [0,0,0,0,0,0|1,0,0]=1 2 B14R0.2681 CC(=O)NC(CCCNC(=O)N)C(=O)O MCULE-4794847382 [0,0,0,0,0,0|1,0,0]=1 3 B14R0.2681 CC(=O)NCCC[C@H](NC(=O)C)C(=O)O MCULE-3653465876 [0,0,0,0,0,0|2,0,0]=2 4 B14R0.2681 CC(=O)NCCC[C@H](NC(=O)C)C(=O)O MCULE-4823120484 [0,0,0,0,0,0|2,0,0]=2 5 B14R0.2681 CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N MCULE-7334334906 [0,0,0,0,0,0|1,0,2]=3 6 B14R0.2681 CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N MCULE-9082720807 [0,0,0,0,0,0|1,0,2]=3 7 B14R0.2681 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N MCULE-1244633170 [0,0,0,0,0,0|1,0,0]=1 8 B14R0.2681 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N MCULE-3491825714 [0,0,0,0,0,0|1,0,0]=1 9 B14R0.2681 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O MCULE-8745403940 [0,0,0,0,0,0|0,0,0]=0 10 B14R0.2681 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O MCULE-9685891262 [0,0,0,0,0,0|0,0,0]=0 11 B14R0.2681 CC(=O)N[C@@H](CCCNC(=O)N)C(=O)O MCULE-1076866298 [0,0,0,0,0,0|1,0,0]=1 12 B14R0.2681 CC(=O)N[C@@H](CSCCC(=O)N)C(=O)O MCULE-6912065154 [0,0,0,0,0,0|3,0,0]=3 13 B14R0.2681 N=C(N)NCCCC(NC(=O)N)C(=O)O MCULE-8161657988 [0,0,0,0,0,0|1,0,0]=1 14 B14R0.2681 N=C(N)NCCSC(CC(=O)O)C(=O)O MCULE-9299107471 [0,0,0,0,0,0|3,0,0]=3 15 B13R0.281 CSCCCCC(NC(=O)C)C(=O)O MCULE-5545345069 [1,0,0,0,0,0|3,0,0]=4 16 B15R0.1577 COC(=O)[C@H](CCCNC(=N)N)NC(=O)C MCULE-3242000104 [0,1,0,0,0,0|0,0,0]=1 17 B15R0.1577 COC(=O)[C@H](CCCNC(=N)N)NC(=O)C MCULE-4973900006 [0,1,0,0,0,0|0,0,0]=1 18 B15R0.1577 COC(=O)[C@H](CCCNC(=N)N)NC(=O)C MCULE-5881235479 [0,1,0,0,0,0|0,0,0]=1 19 B15R0.1577 COC(=O)[C@H](CCCNC(=N)N)NC(=O)C MCULE-6271950047 [0,1,0,0,0,0|0,0,0]=1 20 B15R0.1577 COC(=O)[C@H](CCCNC(=N)N)N[N+](=O)[O-] MCULE-2855498871 [0,1,0,0,0,0|2,0,0]=3 21 B15R0.1577 COC(=O)[C@H](CCCNC(=N)N)N[N+](=O)[O-] MCULE-6482858243 [0,1,0,0,0,0|2,0,0]=3 22 B15R0.2663 CC(=O)NCCCCC(NC(=O)C)C(=O)O MCULE-9302189254 [0,0,0,0,0,1|2,0,0]=3 23 B15R0.2663 CC(=O)NCCCC[C@H](NC(=O)C)C(=O)O MCULE-3022491189 [0,0,0,0,0,1|2,0,0]=3 24 B15R0.2663 CC(=O)NCCCC[C@H](NC(=O)C)C(=O)O MCULE-5132559508 [0,0,0,0,0,1|2,0,0]=3 25 B15R0.2663 CC(=O)NCCSCC(NC(=O)C)C(=O)O MCULE-1265465921 [0,0,0,0,0,1|2,0,0]=3 26 B15R0.2663 CC(=O)NCCSC[C@H](NC(=O)C)C(=O)O MCULE-7763188528 [0,0,0,0,0,1|2,0,0]=3 27 B12R0.120 C=CCSCC(NC(=O)C)C(=O)O MCULE-3064329228 [2,0,0,0,0,0|2,0,0]=4 28 B12R0.120 C=CCSC[C@H](NC(=O)C)C(=O)O MCULE-7322007743 [2,0,0,0,0,0|2,0,0]=4 29 B12R0.120 CC(=O)NC(CCCCN)C(=O)O MCULE-8017448166 [2,0,0,0,0,0|0,0,1]=3 30 B12R0.120 CC(=O)N[C@@H](CCCCN)C(=O)N MCULE-1304308787 [2,0,0,0,0,0|1,0,1]=4 31 B12R0.120 CC(=O)N[C@@H](CCCCN)C(=O)N MCULE-3583752590 [2,0,0,0,0,0|1,0,1]=4 32 B12R0.120 CC(=O)N[C@@H](CCCCN)C(=O)N MCULE-8452006905 [2,0,0,0,0,0|1,0,1]=4 33 B12R0.120 CC(=O)N[C@@H](CCCCN)C(=O)N MCULE-8798570465 [2,0,0,0,0,0|1,0,1]=4 34 B12R0.120 CC(=O)N[C@@H](CCCCN)C(=O)O MCULE-5740334109 [2,0,0,0,0,0|0,0,1]=3 35 B12R0.120 CC(=O)N[C@@H](CCCCN)C(=O)O MCULE-7913524496 [2,0,0,0,0,0|0,0,1]=3 36 B12R0.120 CC(=O)N[C@H](CCCCN)C(=O)O MCULE-2510006283 [2,0,0,0,0,0|0,0,1]=3 37 B12R0.120 CC(=O)N[C@H](CCCCN)C(=O)O MCULE-3102213302 [2,0,0,0,0,0|0,0,1]=3 38 B12R0.238 CN[C@@H](CCCNC(=N)N)C(=O)O MCULE-1167157550 [2,0,0,0,0,0|0,0,0]=2 39 B12R0.238 CN[C@@H](CCCNC(=N)N)C(=O)O MCULE-2963335078 [2,0,0,0,0,0|0,0,0]=2 40 B12R0.238 CN[C@@H](CCCNC(=N)N)C(=O)O MCULE-5560203385 [2,0,0,0,0,0|0,0,0]=2 41 B12R0.238 CN[C@@H](CCCNC(=N)N)C(=O)O MCULE-8602495389 [2,0,0,0,0,0|0,0,0]=2 42 B14R0.89 C=CCCCCCC(NC(=O)C)C(=O)O MCULE-2926688484 [1,1,0,0,0,0|2,0,0]=4 43 B14R0.89 C=CCCCCC[C@@H](NC(=O)C)C(=O)O MCULE-3310597440 [1,1,0,0,0,0|2,0,0]=4 44 B16R0.2270 C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O MCULE-3065601775 [0,1,0,0,0,1|1,0,1]=4 45 B14R1.3164 C(CC1=CNC=N1)(NC(=O)C)C(=O)O MCULE-9384945249 [1,0,0,1,0,0|0,0,2]=4 46 B14R1.3164 CC(=O)N[C@@H](CC1=CNC=N1)C(=O)O MCULE-3635162274 [1,0,0,1,0,0|0,0,2]=4 47 B14R1.3164 CC(=O)N[C@H](CC1=CNC=N1)C(=O)O MCULE-5709015092 [1,0,0,1,0,0|0,0,2]=4 48 B12R0.138 CC(=O)NC(CCC(=O)N)C(=O)O MCULE-1934887222 [0,0,0,0,2,0|1,0,0]=3 49 B12R0.138 CC(=O)NC(CCC(=O)O)C(=O)O MCULE-4246221126 [0,0,0,0,2,0|2,0,0]=4 50 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)N MCULE-5557467298 [0,0,0,0,2,0|2,0,0]=4 51 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-6381531194 [0,0,0,0,2,0|1,0,0]=3 52 B12R0.138 CC(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-7631228514 [0,0,0,0,2,0|1,0,0]=3 53 B12R0.138 CC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-2229199971 [0,0,0,0,2,0|2,0,0]=4 54 B12R0.138 CC(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-6828522418 [0,0,0,0,2,0|2,0,0]=4 55 B12R0.138 CC(=O)N[C@H](CCC(=O)O)C(=O)O MCULE-5623672193 [0,0,0,0,2,0|2,0,0]=4 56 B12R0.138 CC(=O)N[C@H](CCC(=O)O)C(=O)O MCULE-6007670614 [0,0,0,0,2,0|2,0,0]=4 57 B12R0.138 NC(=O)CCC(NC(=O)N)C(=O)O MCULE-8108551403 [0,0,0,0,2,0|2,0,0]=4 58 B12R0.138 [C@@H](CCC(=O)O)(NC(=O)C)C(=O)O MCULE-7234857249 [0,0,0,0,2,0|2,0,0]=4