0 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O A1273 [0,0,0,0,0,0|0,0,0]=0 1 B8R0.23 CC(=O)O[C@@H](C)C(=O)O A18048 [1,0,0,0,0,0|1,0,0]=2 2 B8R0.23 NC(=O)C[C@H](N)C(=O)O A6288 [1,0,0,0,0,0|3,0,0]=4 3 B8R0.23 N[C@H](CC(=O)O)C(=O)O A6088 [1,0,0,0,0,0|3,0,0]=4 4 B8R0.23 O=C(O)C[C@@H](O)C(=O)O M11009 [1,0,0,0,0,0|2,1,0]=4 5 B8R0.23 O=C(O)C[C@H](Br)C(=O)O B8880 [1,0,0,0,0,0|3,0,0]=4 6 B8R0.23 O=C(O)C[C@H](Br)C(=O)O B8880 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.64 CC(=O)NC1CCSC1=O C5646 [0,0,0,1,0,0|1,1,0]=3 8 B10R1.113 CC1CCCC(C(=O)O)N1 M7284 [0,0,0,1,0,0|2,0,1]=4 9 B10R1.113 O=C1CCCC(C(=O)O)N1 O14392 [0,0,0,1,0,0|1,0,0]=2 10 B7R0.6 C(NC(C)=O)C(=O)O A1250 [2,0,0,0,0,0|0,0,0]=2 11 B7R0.6 CC(=O)CNC(C)=O O12675 [2,0,0,0,0,0|1,0,0]=3 12 B9R0.33 CC(C)[C@H](NC=O)C(=O)O V6329 [1,1,0,0,0,0|1,0,0]=3 13 B9R0.42 COC(=O)C[C@H](N)C(=O)O A8339 [1,1,0,0,0,0|2,0,0]=4 14 B9R0.79 O=C(O)C(S)C(S)C(=O)O D1120 [1,1,0,0,0,0|2,0,0]=4 15 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O D6020 [1,1,0,0,0,0|2,0,0]=4 16 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O A6346 [0,1,0,0,0,1|0,1,1]=4 17 B11R0.160 CSCCC(NC(C)=O)C(=O)O A3291 [0,2,0,0,0,0|0,0,0]=2 18 B11R0.160 CSCC[C@@H](NC(C)=O)C(=O)O A8653 [0,2,0,0,0,0|0,0,0]=2 19 B11R0.160 CSCC[C@H](NC(C)=O)C(=O)O A3456 [0,2,0,0,0,0|0,0,0]=2 20 B9R1.6 O=C(O)C1CCCCN1 P3033 [1,0,0,1,0,0|1,0,1]=4 21 B9R1.6 O=C(O)C1CCCCN1 P3033 [1,0,0,1,0,0|1,0,1]=4 22 B9R1.6 O=C(O)C1CCCCN1 P4996 [1,0,0,1,0,0|1,0,1]=4 23 B9R1.6 O=C(O)C1CNCCN1 P0002 [1,0,0,1,0,0|1,0,1]=4 24 B9R1.6 O=C(O)C1CSCCN1 T12966 [1,0,0,1,0,0|0,0,1]=3 25 B9R1.6 O=C(O)[C@@H]1CCCCN1 L6054 [1,0,0,1,0,0|1,0,1]=4 26 B9R1.6 O=C(O)[C@@H]1CCCCN1 L6054 [1,0,0,1,0,0|1,0,1]=4 27 B9R1.6 O=C(O)[C@@H]1CNCCN1 P1990 [1,0,0,1,0,0|1,0,1]=4 28 B9R1.6 O=C(O)[C@@H]1CNCCN1 S6059 [1,0,0,1,0,0|1,0,1]=4 29 B9R1.6 O=C(O)[C@@H]1COCCN1 M14113 [1,0,0,1,0,0|0,1,1]=4 30 B9R1.6 O=C(O)[C@@H]1CSCCN1 T16413 [1,0,0,1,0,0|0,0,1]=3 31 B9R1.6 O=C(O)[C@H]1CNCCN1 R6058 [1,0,0,1,0,0|1,0,1]=4 32 B9R1.6 O=C(O)[C@H]1CNCCN1 R6061 [1,0,0,1,0,0|1,0,1]=4 33 B9R1.35 O=C1CCC(C(=O)O)N1 P19419 [1,0,0,1,0,0|1,0,0]=3 34 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 P2914 [1,0,0,1,0,0|1,0,0]=3 35 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 P2914 [1,0,0,1,0,0|1,0,0]=3 36 B9R1.35 O=C1N[C@H](C(=O)O)CS1 O5524 [1,0,0,1,0,0|0,0,0]=2 37 B9R1.168 O=C(O)C1(C(=O)O)CC1 C4388 [0,0,0,1,1,0|2,0,0]=4 38 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O A1987 [0,1,0,1,0,0|1,0,0]=3 39 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O P6337 [0,1,0,1,0,0|1,0,0]=3 40 B11R1.178 CC(=O)N1CCC[C@H]1C(N)=O A11795 [0,1,0,1,0,0|2,0,0]=4 41 B11R1.178 CC(=O)N1CSCC1C(=O)O A8032 [0,1,0,1,0,0|0,0,0]=2 42 B11R1.167 CC(C)[C@H]1NC(=O)CNC1=O I13259 [0,1,0,1,0,0|2,0,0]=4 43 B11R1.228 O=C(CCl)NC1CCSC1=O C8756 [0,1,0,1,0,0|1,1,0]=4