0 B9R1.35 CN1CC[C@H](C(=O)O)C1 4H58-1-ST [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 C[C@H]1CN[C@H](C(=O)O)C1 4H56-5-W8 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 4457-1-03 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 2229-1-R2 [0,0,0,0,0,0|1,0,2]=3 4 B9R1.35 O=C1CC[C@H](C(=O)O)C1 2229-1-S2 [0,0,0,0,0,0|1,0,2]=3 5 B9R1.35 [C@H]1(N)CN[C@@H](C(=O)O)C1 4H57-5-X3 [0,0,0,0,0,0|1,0,0]=1 6 B8R1.7 CC(=O)N1CCCC1 4H48-1-0A0 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.7 NC(=O)N1CCCC1 4H48-1-A4 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.7 NC(=O)[C@H]1CCNC1 4H48-5-S9 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.7 O=C(O)[C@H]1CCOC1 2H21-1-S0 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 2229-1-R0 [0,1,0,0,0,0|1,0,2]=4 11 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 4258-5-11 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 2229-1-S0 [0,1,0,0,0,0|1,0,2]=4 13 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 4233-5-05 [0,1,0,0,0,0|2,0,0]=3 14 B8R0.23 C=C(C)C[C@H](N)C(=O)O 4357-1-S3 [0,0,1,0,0,0|1,0,1]=3 15 B10R2.355 [C@@H]12CN[C@H](C(=O)O)[C@@H]1C2 4H21-1-0E [0,0,0,1,0,0|1,0,0]=2 16 B10R2.355 [C@H]12C[C@H]1CN[C@H]2C(=O)O 4H21-1-FF [0,0,0,1,0,0|1,0,0]=2 17 B8R1.23 CC(=O)C1CC(O)C1 2229-1-0T [0,0,0,0,1,0|1,0,0]=2 18 B8R1.23 CN(C)C1CC(O)C1 4256-1-0M [0,0,0,0,1,0|3,0,0]=4 19 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 2221-1-30 [0,0,0,0,1,0|1,0,0]=2 20 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 4257-1-27 [0,0,0,0,1,0|1,0,0]=2 21 B8R1.23 O=C(O)C1CC(Cl)C1 2221-5-05 [0,0,0,0,1,0|1,0,0]=2 22 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 2221-3-Z2 [0,0,0,0,1,0|1,0,0]=2 23 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 2221-5-E0 [0,0,0,0,1,0|1,0,0]=2 24 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 2221-3-E2 [0,0,0,0,1,0|1,0,0]=2 25 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 2229-1-E2 [0,0,0,0,1,0|0,0,0]=1 26 B8R1.31 CN1CC[C@@H]1C(=O)O 4H21-1-R6 [0,0,0,0,1,0|3,0,0]=4 27 B8R1.31 CN1CC[C@H]1C(=O)O 4H21-1-S6 [0,0,0,0,1,0|3,0,0]=4 28 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O 4H21-1-AR [0,0,0,0,1,0|1,0,0]=2 29 B10R1.13 CC1=CCC(C(=O)O)CC1 2421-1-10 [0,0,0,0,0,1|2,0,1]=4 30 B10R1.13 C[C@H]1CC[C@H](C(=O)Cl)CC1 2216-5-05 [0,0,0,0,0,1|3,0,0]=4 31 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 4H58-5-4B [0,0,0,0,0,1|0,0,0]=1 32 B10R1.54 CN1CCC(CC(=O)O)C1 4H21-5-2L [0,0,0,0,0,1|3,0,0]=4 33 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 4258-5-15 [0,0,0,0,0,1|2,0,0]=3 34 B10R1.113 O=C1CCCC(C(=O)O)C1 2229-1-X0 [0,0,0,0,0,1|1,0,2]=4 35 B10R1.113 [C@H]1(N)CCC[C@H](C(=O)O)C1 4257-5-11 [0,0,0,0,0,1|2,0,0]=3 36 B7R0.4 O=C(O)CCCCO 2120-1-00 [1,0,1,0,0,0|1,0,0]=3 37 B7R0.5 CC(CCCl)C(=O)Cl 2116-5-21 [1,0,1,0,0,0|2,0,0]=4 38 B7R0.5 CCCC(C)C(C)=O 2117-1-0J [1,0,1,0,0,0|2,0,0]=4 39 B7R0.5 NCCC(F)C(=O)O 4157-3-06 [1,0,1,0,0,0|2,0,0]=4 40 B7R1.1 FC[C@@H]1CCCN1 3H31-7-58 [2,0,0,0,0,0|1,0,1]=4 41 B7R1.1 NC[C@H]1CCCN1 3H30-1-2R [2,0,0,0,0,0|1,0,1]=4 42 B7R1.2 NC1CNC(=O)C1 4H48-1-6A [2,0,0,0,0,0|1,0,1]=4 43 B7R1.2 N[C@@H]1CC[C@H](O)C1 4256-5-40 [2,0,0,0,0,0|2,0,0]=4 44 B7R1.2 N[C@@H]1CNC(=O)C1 4H48-5-S0 [2,0,0,0,0,0|1,0,1]=4 45 B7R1.2 N[C@H]1CC[C@@H](O)C1 4256-5-44 [2,0,0,0,0,0|2,0,0]=4 46 B7R1.2 N[C@H]1CC[C@H](O)C1 4256-5-45 [2,0,0,0,0,0|2,0,0]=4 47 B7R1.2 O[C@H]1CC[C@@H](O)C1 2204-1-0D [2,0,0,0,0,0|1,0,0]=3 48 B9R0.39 CNC(CC(=O)O)C(=O)O 4157-1-46 [0,1,1,0,0,0|0,0,1]=3 49 B9R0.11 CC(C)CC(C)(O)C(=O)O 2129-1-0Z [0,1,1,0,0,0|2,0,0]=4 50 B9R1.133 OC[C@H]1CC(F)(F)CN1 4H33-7-R0 [1,1,0,0,0,0|1,0,1]=4 51 B9R1.11 CNC(=O)[C@@H]1CCCN1 4H48-5-SF [1,1,0,0,0,0|1,0,0]=3 52 B9R1.11 COC(=O)[C@@H]1CCCO1 2H23-1-S2 [1,1,0,0,0,0|1,0,0]=3 53 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 4257-5-00 [1,1,0,0,0,0|1,0,0]=3 54 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O 4H58-3-1H [1,1,0,0,0,0|0,0,0]=2 55 B9R1.163 CC1(C(=O)O)CCOC1 2H21-1-91 [1,1,0,0,0,0|2,0,0]=4 56 B9R1.82 COC(=O)C1CC(Br)C1 2223-9-05 [0,1,0,0,1,0|1,0,0]=3 57 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 2223-9-00 [0,1,0,0,1,0|1,0,0]=3 58 B9R1.82 O=C(CCl)N1CC(O)C1 4H48-5-DZ [0,1,0,0,1,0|2,0,0]=4 59 B9R1.95 COC1CC(C(=O)O)C1 2221-1-37 [0,1,0,0,1,0|0,0,0]=2 60 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 2221-1-E0 [0,1,0,0,1,0|0,0,0]=2 61 B9R1.95 O=C(O)C1CC(CO)C1 2229-1-88 [0,1,0,0,1,0|0,0,0]=2 62 B9R1.152 C=C1CC(C)(C(=O)O)C1 2321-1-0A [0,1,0,0,1,0|1,0,1]=4 63 B9R1.164 CC(=O)C1CC(F)(F)C1 2217-3-0C [0,1,0,0,1,0|2,0,0]=4 64 B9R1.164 CC1(F)CC(C(=O)O)C1 2221-3-21 [0,1,0,0,1,0|1,0,0]=3 65 B9R1.164 CC1(O)CC(C(=O)O)C1 2229-1-57 [0,1,0,0,1,0|0,0,0]=2 66 B9R1.164 C[C@]1(F)C[C@@H](C(=O)O)C1 2221-3-Z1 [0,1,0,0,1,0|1,0,0]=3 67 B9R1.164 C[C@]1(F)C[C@H](C(=O)O)C1 2221-3-E1 [0,1,0,0,1,0|1,0,0]=3 68 B9R1.52 CC1CN(C)[C@@H]1C(=O)O 4H21-1-SC [0,1,0,0,1,0|1,0,0]=3 69 B9R1.81 COC(=O)[C@H]1CC[C@@H]1N 4258-5-E1 [0,1,0,0,1,0|2,0,0]=4 70 B9R1.96 CCC1CN[C@@H]1C(=O)O 4H21-1-S7 [0,1,0,0,1,0|1,0,0]=3 71 B9R1.166 CC1(C)CN[C@@H]1C(=O)O 4H21-1-SA [0,1,0,0,1,0|1,0,0]=3 72 B11R1.3 COC1CCC(C(=O)Cl)CC1 2216-5-07 [0,1,0,0,0,1|2,0,0]=4 73 B11R1.22 COC(=O)C1CCC(C)NC1 4H23-1-8J [0,1,0,0,0,1|2,0,0]=4 74 B11R1.22 COC(=O)[C@@H]1CC[C@H](C)NC1 4H58-1-UJ [0,1,0,0,0,1|2,0,0]=4 75 B11R1.23 COC(=O)C1CNCC(C)C1 4H23-5-2B [0,1,0,0,0,1|1,0,0]=3 76 B11R1.225 COC(=O)[C@@H]1C[C@@H](O)CN1C 4H58-1-242 [0,2,0,0,0,0|0,0,0]=2 77 B11R1.866 COC(=O)[C@H]1CC(F)(F)CN1 4H58-7-R0 [0,2,0,0,0,0|1,0,0]=3 78 B9R1.6 O=C(O)C1CNCCS1 8H70-1-36 [0,0,1,1,0,0|2,0,0]=4 79 B9R1.53 NC1CC(CC(=O)O)C1 4257-1-16 [0,0,1,1,0,0|2,0,0]=4 80 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 4257-5-12 [0,0,1,1,0,0|2,0,0]=4 81 B9R2.7 O=C1N[C@@H]2CCC[C@H]12 4H48-1-Z10 [1,0,0,1,0,0|2,0,0]=4 82 B9R2.145 NC(=O)C12CC(C1)C2 4248-1-27 [0,0,0,1,1,0|2,0,0]=4 83 B9R2.145 O=C(O)C12CC(C1)C2 2221-1-35 [0,0,0,1,1,0|1,0,0]=3 84 B11R2.914 COC(=O)C1CC2OC2C1 2223-1-0P [0,1,0,1,0,0|1,0,0]=3 85 B11R2.1868 O=C(O)[C@@H]1CC2(CC2)CN1 4H21-5-S0 [0,1,0,1,0,0|1,0,0]=3 86 B7R0.16 C=C(C)[C@@H](N)C(=O)O 4357-5-R0 [0,0,1,0,1,0|1,0,1]=4 87 B7R0.16 CC(C)C(F)C(=O)O 2121-3-0K [0,0,1,0,1,0|2,0,0]=4 88 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 4157-1-44 [0,0,1,0,1,0|0,0,0]=2 89 B7R1.10 CN[C@H]1C[C@@H](O)C1 4256-5-39 [1,0,0,0,1,0|2,0,0]=4 90 B7R1.10 N#CC1CC(O)C1 4237-1-0C [1,0,0,0,1,0|1,0,1]=4 91 B7R1.10 N#C[C@H]1C[C@@H](O)C1 4237-1-Z0 [1,0,0,0,1,0|1,0,1]=4 92 B7R1.10 N#C[C@H]1C[C@H](O)C1 4237-1-E0 [1,0,0,0,1,0|1,0,1]=4 93 B7R1.10 NC1CC(CO)C1 4256-5-47 [1,0,0,0,1,0|1,0,1]=4 94 B7R1.10 N[C@H]1C[C@H](CO)C1 4256-5-42 [1,0,0,0,1,0|1,0,1]=4 95 B7R1.10 OCC1CC(F)C1 2201-3-0E [1,0,0,0,1,0|1,0,1]=4 96 B7R1.18 NC(=O)C1CCN1 4H48-5-2R [1,0,0,0,1,0|1,0,0]=3 97 B7R1.18 O=C(O)C1CCO1 2H21-1-68 [1,0,0,0,1,0|1,0,0]=3 98 B7R1.18 O=C(O)C1CSC1 6H66-1-63 [1,0,0,0,1,0|1,0,0]=3 99 B7R1.12 CC1CC1C(N)=O 4248-1-12 [0,0,0,0,2,0|2,0,0]=4 100 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 2221-1-31 [0,0,0,0,2,0|1,0,0]=3 101 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 2221-1-12 [0,0,0,0,2,0|1,0,0]=3