0 B9R0.47 NCCCC[C@H]([15NH2])C(=O)O D98677 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O C70032 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.7 O=C(O)CCOCCBr C70446 [1,0,0,0,0,0|1,1,1]=4 3 B8R0.7 O=C(O)CCOCCO C70447 [1,0,0,0,0,0|1,1,1]=4 4 B8R0.7 O=CNCCCC(=O)O AB3831 [1,0,0,0,0,0|3,0,0]=4 5 B8R0.8 C=CCC[C@H](N)C(=O)O AT23573 [1,0,0,0,0,0|0,0,0]=1 6 B8R0.8 C=CCC[C@H](N)C(=O)O AT23574 [1,0,0,0,0,0|0,0,0]=1 7 B8R0.8 CC#CC[C@H](N)C(=O)O C15512 [1,0,0,0,0,0|0,0,3]=4 8 B8R0.8 CCCC[C@H](N)C(N)=O S11604 [1,0,0,0,0,0|1,0,2]=4 9 B8R0.8 CCOC[C@H](N)C(=O)O AT12801 [1,0,0,0,0,0|0,1,1]=3 10 B10R0.26 C=CCS(=O)C[C@H](N)C(=O)O F17717 [0,1,0,0,0,0|0,0,1]=2 11 B10R0.26 C=CC[S@@](=O)C[C@@H](N)C(=O)O AT24294 [0,1,0,0,0,0|0,0,1]=2 12 B10R0.26 CCCS(=O)C[C@H](N)C(=O)O D86843 [0,1,0,0,0,0|0,0,3]=4 13 B10R0.42 C=CCCC[C@](C)(N)C(=O)O F12086 [0,1,0,0,0,0|1,0,0]=2 14 B10R0.42 C=CCCC[C@](C)(N)C(=O)O F12114 [0,1,0,0,0,0|1,0,0]=2 15 B10R0.83 COC(=O)[C@@H](N)CCCCN S11847 [0,1,0,0,0,0|2,0,1]=4 16 B10R0.86 CN[C@@H](CCCCN)C(=O)O AT16724 [0,1,0,0,0,0|2,0,1]=4 17 B10R0.98 CN(C)CCC[C@H](N)C(=O)O F14408 [0,1,0,0,0,0|2,0,1]=4 18 B10R0.98 O=C(O)CCC[C@H](O)C(=O)O AC1615 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.23 C[C@@H](C(=O)O)C1=CC=CS1 AT16728 [0,0,0,1,0,0|1,0,2]=4 20 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 38266 [0,0,0,1,0,0|0,0,2]=3 21 B10R1.113 O=C1CNC[C@@H](C(=O)O)N1 76385 [0,0,0,1,0,0|2,0,0]=3 22 B10R1.113 O=C1CSC[C@@H](C(=O)O)N1 AT25443 [0,0,0,1,0,0|1,0,0]=2 23 B10R1.348 O=C(O)[C@@H]1CCCCCN1 98384 [0,0,0,1,0,0|1,0,2]=4 24 B10R1.363 NC1(C(=O)O)CCCCC1 I11975 [0,0,0,1,0,0|1,0,2]=4 25 B10R0.6 CCCCC[C@H](N)CC(=O)O D88166 [0,0,0,0,0,1|1,0,2]=4 26 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10271 [0,0,0,0,0,1|2,0,1]=4 27 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10272 [0,0,0,0,0,1|2,0,1]=4 28 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10302 [0,0,0,0,0,1|2,0,1]=4 29 B7R0.1 C=CCCCCCO F14745 [2,0,0,0,0,0|1,0,1]=4 30 B7R0.4 C#CCSCC(=O)O AT18970 [2,0,0,0,0,0|0,0,2]=4 31 B7R0.4 C=CCOCC(=O)O D77063 [2,0,0,0,0,0|0,1,0]=3 32 B7R0.4 NCCSCC(=O)O AT25571 [2,0,0,0,0,0|1,0,1]=4 33 B7R0.5 CNC[C@H](N)C(=O)O 88602 [2,0,0,0,0,0|1,0,0]=3 34 B7R0.5 C[Se]C[C@H](N)C(=O)O C16524 [2,0,0,0,0,0|0,1,0]=3 35 B7R0.5 NCC[C@H](F)C(=O)O F19724 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.5 NCC[C@H](N)C(=O)O F10323 [2,0,0,0,0,0|1,0,0]=3 37 B9R0.55 O=C(O)CCCC[13C](=O)O D98793 [1,1,0,0,0,0|2,0,0]=4 38 B9R0.7 CC(C)=CC[C@H](N)C(=O)O A50387 [1,1,0,0,0,0|0,0,2]=4 39 B9R0.7 CC(C)=CC[C@H](N)C(=O)O A50388 [1,1,0,0,0,0|0,0,2]=4 40 B9R0.7 CC(C)=CC[C@H](N)C(=O)O A50389 [1,1,0,0,0,0|0,0,2]=4 41 B9R0.7 N=C(N)NC[C@H](N)C(=O)O AC4354 [1,1,0,0,0,0|2,0,0]=4 42 B9R0.7 O=C(O)CC[C@H](O)C(=O)O FD21404 [1,1,0,0,0,0|2,0,0]=4 43 B9R0.7 [15NH2]C(=O)CC[C@H]([15NH2])C(=O)O 41401 [1,1,0,0,0,0|1,0,0]=3 44 B9R0.13 CCCC[C@H](NC)C(=O)O AT16731 [1,1,0,0,0,0|0,0,2]=4 45 B9R0.13 CCCC[C@H](NC)C(=O)O C15089 [1,1,0,0,0,0|0,0,2]=4 46 B9R0.51 [2H][C@](N)(CCSC)C(=O)O D97873 [1,1,0,0,0,0|1,0,1]=4 47 B9R1.5 N[C@H]1CSCCNC1=O C16734 [1,0,0,1,0,0|1,0,1]=4 48 B9R1.6 O=C(O)[C@@H]1CSCCN1 77694 [1,0,0,1,0,0|1,0,1]=4 49 B9R1.13 O=C(O)CC1SCCS1 AT15646 [1,0,0,1,0,0|1,0,1]=4 50 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 AT11433 [1,0,0,1,0,0|0,0,2]=4 51 B9R1.35 NC1=N[C@H](C(=O)O)CS1 D77103 [1,0,0,1,0,0|1,0,1]=4 52 B9R1.35 O=C1N[C@H](C(=O)O)CO1 93866 [1,0,0,1,0,0|1,1,0]=4 53 B9R1.69 N[C@H]1CCC(=O)NC1=O AC9237 [1,0,0,1,0,0|2,0,0]=4 54 B9R1.110 N[C@H](C(=O)O)C1CCC1 F51887 [1,0,0,1,0,0|0,0,2]=4 55 B9R1.163 N[C@@]1(C(=O)O)CCNC1 F19622 [1,0,0,1,0,0|1,0,1]=4 56 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O A50248 [0,1,0,1,0,0|0,1,1]=4 57 B11R1.35 N[C@@H](CC1=CN=CS1)C(=O)O 67399 [0,1,0,1,0,0|1,0,1]=4 58 B11R1.35 N[C@@H](CC1=CN=CS1)C(=O)O 67406 [0,1,0,1,0,0|1,0,1]=4 59 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O A50228 [0,1,0,1,0,0|1,0,1]=4 60 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O A50247 [0,1,0,1,0,0|1,0,1]=4 61 B11R1.35 N[C@@H](CC1=NC=CS1)C(=O)O N13108 [0,1,0,1,0,0|1,0,1]=4 62 B11R1.35 N[C@@H](CN1C=CC=N1)C(=O)O 51851 [0,1,0,1,0,0|1,0,1]=4 63 B11R1.35 N[C@@H](CN1C=CC=N1)C(=O)O AC5797 [0,1,0,1,0,0|1,0,1]=4 64 B11R1.124 C=CC[C@H]1CN[C@H](C(=O)O)C1 F10150 [0,1,0,1,0,0|1,0,0]=3 65 B11R1.124 C=CC[C@H]1CN[C@H](C(=O)O)C1 F10151 [0,1,0,1,0,0|1,0,0]=3 66 B11R1.520 O=C(O)[C@@]1(F)CCCC=C1F 73055 [0,1,0,1,0,0|2,0,0]=4 67 B11R1.23 COC(=O)[C@@H]1CCCC(=O)N1 C92643 [0,1,0,1,0,0|2,0,0]=4 68 B11R1.23 COC(=O)[C@@H]1CCCC(=O)N1 C92649 [0,1,0,1,0,0|2,0,0]=4