0 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 4039321 [0,1,0,0,0,0|1,0,0]=2 1 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 4089275 [0,1,0,0,0,0|1,0,0]=2 2 B10R1.59 CN1C[C@@H](N)C[C@H]1C(=O)O 4036533 [0,1,0,0,0,0|1,0,0]=2 3 B10R1.59 CN1C[C@H](N)C[C@H]1C(=O)O 4036534 [0,1,0,0,0,0|1,0,0]=2 4 B8R0.23 CC(CN(C)C)C(=O)O 4090277 [0,0,1,0,0,0|3,0,0]=4 5 B8R1.23 O=C(O)C1CC(O)C1 4028966 [0,0,0,0,1,0|0,0,0]=1 6 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 4045921 [0,0,0,0,1,0|0,0,0]=1 7 B10R1.13 CN1CCC(C(=O)O)CC1 4088806 [0,0,0,0,0,1|3,0,0]=4 8 B10R1.13 O=C1CNC(C(=O)O)CN1 4049792 [0,0,0,0,0,1|0,0,2]=3 9 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 4043934 [0,0,0,0,0,1|0,0,2]=3 10 B10R1.54 CN1CCC(CC(=O)O)C1 4091051 [0,0,0,0,0,1|3,0,0]=4 11 B10R1.113 CN1CCNC(C(=O)O)C1 4090798 [0,0,0,0,0,1|2,0,0]=3 12 B7R0.4 CC(C)CNCCO 4090750 [1,0,1,0,0,0|1,0,1]=4 13 B7R0.5 CNCC(C)C(=O)O 4088272 [1,0,1,0,0,0|2,0,0]=4 14 B7R1.2 NC1CCC(O)C1 4094627 [2,0,0,0,0,0|2,0,0]=4 15 B7R1.2 N[C@@H]1CC[C@H](O)C1 4089591 [2,0,0,0,0,0|2,0,0]=4 16 B9R1.22 CN1C[C@@H](N)C[C@H]1CO 4036530 [1,1,0,0,0,0|1,0,1]=4 17 B9R1.11 CNC(=O)C1CCCN1 4018265 [1,1,0,0,0,0|1,0,0]=3 18 B9R1.11 CNC(=O)[C@@H]1CCCN1 4088702 [1,1,0,0,0,0|1,0,0]=3 19 B9R1.11 CNC(=O)[C@H]1CCCN1 4090109 [1,1,0,0,0,0|1,0,0]=3 20 B9R1.11 COC(=O)C1C=CCN1 4028931 [1,1,0,0,0,0|0,0,2]=4 21 B9R1.41 CN1CC=CC1C(=O)O 4029308 [1,1,0,0,0,0|0,0,2]=4 22 B9R1.41 CN1CCC[C@H]1C(=O)O 4090456 [1,1,0,0,0,0|0,0,0]=2 23 B9R1.41 CN1CSC[C@H]1C(=O)O 4088259 [1,1,0,0,0,0|1,0,0]=3 24 B9R1.41 C[C@H]1OCC[C@H]1C(=O)O 4061662 [1,1,0,0,0,0|2,0,0]=4 25 B9R1.163 CC1(C(=O)O)CCCN1 4090777 [1,1,0,0,0,0|0,0,0]=2 26 B9R1.163 CC1(C(=O)O)OCCO1 4043288 [1,1,0,0,0,0|2,0,0]=4 27 B9R1.163 C[C@@]1(C(=O)O)CCCN1 4142038 [1,1,0,0,0,0|0,0,0]=2 28 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 4089064 [0,1,0,0,1,0|1,0,0]=3 29 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 4089003 [0,1,0,0,1,0|1,0,0]=3 30 B9R1.95 COC1CC(C(=O)O)C1 4029580 [0,1,0,0,1,0|0,0,0]=2 31 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 4058431 [0,1,0,0,1,0|0,0,0]=2 32 B11R1.22 COC(=O)[C@@H]1CNC(=O)CN1 4044575 [0,1,0,0,0,1|0,0,2]=4 33 B11R1.730 CC1(C)CC(C(=O)O)CCO1 4400231 [0,1,0,0,0,1|2,0,0]=4 34 B11R1.225 COC(=O)[C@@H]1C[C@@H](N)CN1C 4088881 [0,2,0,0,0,0|1,0,0]=3 35 B11R1.225 COC(=O)[C@@H]1C[C@H](N)CN1C 4089087 [0,2,0,0,0,0|1,0,0]=3 36 B11R1.175 CN(C)[C@H]1CN[C@H](C(=O)O)C1 4089104 [0,2,0,0,0,0|1,0,0]=3 37 B9R1.6 O=C(O)C1CCSCN1 4088340 [0,0,1,1,0,0|2,0,0]=4 38 B9R1.6 O=C(O)C1COCCO1 4016984 [0,0,1,1,0,0|1,0,0]=3 39 B9R1.59 CCC[C@H]1C[C@H]1C(=O)O 4003600 [0,0,1,1,0,0|2,0,0]=4 40 B9R1.69 C[C@@H]1CN[C@H](C)C(=O)N1 4054379 [0,0,1,1,0,0|2,0,0]=4 41 B9R1.69 C[C@@H]1NC[C@@H](C)NC1=O 4082967 [0,0,1,1,0,0|2,0,0]=4 42 B9R1.69 C[C@H]1CN[C@@H](C)C(=O)N1 4084559 [0,0,1,1,0,0|2,0,0]=4 43 B9R1.69 C[C@H]1CN[C@H](C)C(=O)N1 4059417 [0,0,1,1,0,0|2,0,0]=4 44 B9R1.110 CC(C(=O)O)N1CCC1 4045545 [0,0,1,1,0,0|1,0,0]=3 45 B9R1.147 CC1(CCC(=O)O)CC1 4012703 [0,0,1,1,0,0|2,0,0]=4 46 B9R2.39 O=C1N[C@@H]2CN[C@H]1C2 4082172 [1,0,0,1,0,0|1,0,0]=3 47 B9R2.7 O=C1C[C@@H]2CCO[C@H]12 4059800 [1,0,0,1,0,0|2,0,0]=4 48 B7R1.10 CO[C@H]1C[C@@H](O)C1 4069248 [1,0,0,0,1,0|2,0,0]=4 49 B9R1.2 CC[C@@H]1C[C@@H](O)CCN1 4078695 [1,0,0,0,0,1|1,0,1]=4 50 B9R1.13 O=C(O)CC1=CCCC1 4042684 [1,0,0,0,0,1|1,0,1]=4 51 B9R1.13 O=C(O)CC1CCCN1 4090243 [1,0,0,0,0,1|0,0,0]=2