0 B9R1.35 O=C(O)C1=CN=C(S)N1 Y10788 [0,0,0,0,0,0|1,1,2]=4 1 B9R1.35 O=C(O)C1=C[C@@H](Br)CC1 97959 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 P16423 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 P16433 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.35 O=C(O)[C@@H]1C[C@H](Br)CN1 D83167 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 C10066 [0,0,0,0,0,0|2,0,2]=4 6 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 C10788 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.35 O=C1N=C(C(=O)O)NN1 AT21342 [0,0,0,0,0,0|2,0,2]=4 8 B9R1.35 O=C1N[C@H](C(=O)O)CS1 AT20226 [0,0,0,0,0,0|1,0,0]=1 9 B8R1.1 O=C1C[C@H](CO)CN1 D84364 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.7 NC(=O)[C@@H]1CCCN1 F16286 [1,0,0,0,0,0|1,0,1]=3 11 B8R1.7 O=C(O)C1=CN=CN1 VT1381 [1,0,0,0,0,0|1,0,2]=4 12 B8R1.7 O=C(O)[C@@H]1C=CCO1 60334 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.7 O=C([O-])[C@@H]1CCCN1 D75182 [1,0,0,0,0,0|0,0,2]=3 14 B10R1.55 O=C1CC[C@@H](C(F)(F)F)N1 W19233 [0,1,0,0,0,0|2,0,1]=4 15 B10R1.58 CN1C[C@@H](C(=O)O)CC1=O 28519 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.194 CC1C(=O)OCC1C(=O)O F13739 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.359 CC1(C)N[C@H](C(=O)O)CS1 D95444 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.8 NCCC[C@H](N)C(=O)O A11694 [0,0,1,0,0,0|1,0,1]=3 19 B8R0.9 NCC(=O)CCC(=O)O 27973 [0,0,1,0,0,0|2,0,0]=3 20 B8R0.9 NCC(=O)NCC(=O)O D90716 [0,0,1,0,0,0|1,0,0]=2 21 B8R0.15 CC[C@H](NC=O)C(=O)O D90633 [0,0,1,0,0,0|0,0,0]=1 22 B8R0.23 C=C(C)C[C@H](N)C(=O)O A50369 [0,0,1,0,0,0|3,0,0]=4 23 B8R0.23 CC(=O)N[C@@H](C)C(C)=O 59332 [0,0,1,0,0,0|1,0,0]=2 24 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl T71024 [0,0,1,0,0,0|2,0,0]=3 25 B8R0.23 C[C@@H](CC(=O)Cl)C(=O)Cl 30275 [0,0,1,0,0,0|3,0,0]=4 26 B8R0.23 O=C(O)C[C@H](O)C(=O)O D91963 [0,0,1,0,0,0|3,0,0]=4 27 B8R0.28 CC(C)CCCC(=O)O D91448 [0,0,1,0,0,0|2,0,1]=4 28 B8R0.28 O=C(Cl)CCCC(=O)Cl F53553 [0,0,1,0,0,0|2,0,0]=3 29 B8R0.28 O=C([O-])CCCC(=O)[O-] D90710 [0,0,1,0,0,0|1,0,1]=3 30 B8R0.28 O=C([O-])CNCC(=O)[O-] F13715 [0,0,1,0,0,0|2,0,1]=4 31 B10R1.13 C=C1CCC(C(=O)O)CC1 D87471 [0,0,0,0,0,1|2,0,0]=3 32 B10R1.13 CC1CCC(C(N)=O)CN1 32784 [0,0,0,0,0,1|2,0,1]=4 33 B10R1.13 NC(=O)N1CCC(=O)CC1 F20590 [0,0,0,0,0,1|3,0,0]=4 34 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 P11695 [0,0,0,0,0,1|2,0,1]=4 35 B10R1.13 O=C1C=CC(C(=O)O)=CN1 P10104 [0,0,0,0,0,1|0,0,3]=4 36 B10R1.13 O=C1CC=C(C(=O)O)N=N1 O11625 [0,0,0,0,0,1|0,0,3]=4 37 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 AT23431 [0,0,0,0,0,1|2,0,1]=4 38 B7R0.3 CCC(=O)NCCO D90897 [1,0,1,0,0,0|0,0,1]=3 39 B7R0.3 COC(=O)NCCO AT13704 [1,0,1,0,0,0|1,0,1]=4 40 B7R0.4 C=CCSCC(=O)O W18604 [1,0,1,0,0,0|2,0,0]=4 41 B7R0.4 CCOCCC(=O)O F11739 [1,0,1,0,0,0|2,0,0]=4 42 B7R0.4 NCCCCC(=O)O T70410 [1,0,1,0,0,0|0,0,1]=3 43 B7R0.4 O=C(O)CCCCO C72352 [1,0,1,0,0,0|0,0,2]=4 44 B7R0.5 CCC[C@H](N)C(=O)O 69024 [1,0,1,0,0,0|0,0,1]=3 45 B7R0.5 CCO[C@@H](C)C(=O)O AC6305 [1,0,1,0,0,0|1,0,1]=4 46 B7R0.5 N#CC[C@H](N)C(=O)O FD21131 [1,0,1,0,0,0|1,0,1]=4 47 B7R0.5 NCC[C@H](N)C(=O)O W10603 [1,0,1,0,0,0|1,0,0]=3 48 B7R0.5 N[C@@H](CCS)C(=O)O D90809 [1,0,1,0,0,0|0,1,0]=3 49 B7R0.6 CC(=O)COC(C)=O D88372 [1,0,1,0,0,0|2,0,0]=4 50 B7R0.6 NC(=O)CCC(=O)O H12054 [1,0,1,0,0,0|2,0,0]=4 51 B7R0.6 NC(=O)SCC(=O)O E72504 [1,0,1,0,0,0|2,0,0]=4 52 B7R0.15 CN[C@@H](CO)C(=O)O F10793 [1,0,1,0,0,0|1,0,1]=4 53 B7R1.1 O=C[C@H]1CCNC1 D87588 [2,0,0,0,0,0|2,0,0]=4 54 B7R1.1 OC[C@H]1CCCN1 11149 [2,0,0,0,0,0|0,0,2]=4 55 B9R0.7 CC(=O)SC[C@H](C)C(=O)O D88420 [0,1,1,0,0,0|2,0,0]=4 56 B9R0.7 CS(=O)CCC(N)C(=O)O D91281 [0,1,1,0,0,0|1,0,0]=3 57 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O D91481 [0,1,1,0,0,0|1,0,0]=3 58 B9R0.7 NC(=O)CC[C@H](N)C(N)=O FD21548 [0,1,1,0,0,0|1,0,0]=3 59 B9R0.7 [15NH2][C@@H](CCC(=O)O)C(=O)O 41414 [0,1,1,0,0,0|0,0,0]=2 60 B9R0.8 COC(=O)[C@@H](N)CCSC F10668 [0,1,1,0,0,0|2,0,0]=4 61 B9R0.47 NCCCC[C@H](N)C(=O)O D91253 [0,1,1,0,0,0|1,0,1]=4 62 B9R0.33 CC(C)[C@H](NC=O)C(=O)O D90634 [0,1,1,0,0,0|0,0,0]=2 63 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O F11099 [0,1,1,0,0,0|1,0,0]=3 64 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O C10312 [0,1,1,0,0,0|2,0,0]=4 65 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 81442 [1,1,0,0,0,0|1,0,1]=4 66 B9R1.41 CN1CCC[C@H]1C(=O)O 89054 [1,1,0,0,0,0|0,0,1]=3 67 B9R1.163 C[C@@]1(C(=O)O)CCCN1 AT21800 [1,1,0,0,0,0|0,0,1]=3 68 B11R1.22 COC(=O)C1CCC(C)NC1 CS1674 [0,1,0,0,0,1|1,0,1]=4 69 B11R1.645 O=C(O)C[C@@H]1NC(=O)NC1=O D77819 [0,1,0,0,0,1|1,0,1]=4 70 B11R1.74 O=C1C[C@@H](C(=O)O)NC(=O)N1 D72863 [0,1,0,0,0,1|0,0,1]=3 71 B11R1.226 COC(=O)C1CC(=O)C(Br)C1 W16840 [0,2,0,0,0,0|1,0,0]=3 72 B11R1.48 CCN1C[C@@H](C(=O)O)CC1=O W18668 [0,2,0,0,0,0|2,0,0]=4 73 B11R1.644 CC1(C)C[C@@H](C(=O)O)NC1=O F15962 [0,2,0,0,0,0|0,0,0]=2 74 B9R1.110 N[C@H](C(=O)O)C1CCC1 F31113 [0,0,1,1,0,0|1,0,1]=4 75 B7R1.12 CC1CC1C(=O)O 79585 [0,0,0,0,2,0|1,0,1]=4