0 B6R0.3 CCC(F)C(=O)O 2121-3-0L [0,0,0,0,0,0|1,0,2]=3 1 B6R0.3 NC(CF)C(=O)O 4157-3-01 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 O=C(O)\C=C\Br 2321-9-E0 [1,0,0,0,0,0|1,0,0]=2 3 B5R0.3 CN[C@@H](C)CO 4156-5-S1 [1,0,0,0,0,0|1,0,2]=4 4 B5R0.5 CC(C)C(C)O 2102-1-03 [1,0,0,0,0,0|1,0,2]=4 5 B7R0.5 CC(CCCl)C(=O)Cl 2116-5-21 [0,1,0,0,0,0|1,0,2]=4 6 B7R0.5 CCCC(C)C(C)=O 2117-1-0J [0,1,0,0,0,0|1,0,2]=4 7 B7R0.5 NCCC(F)C(=O)O 4157-3-06 [0,1,0,0,0,0|1,0,2]=4 8 B7R0.10 CN[C@H](C)C(=O)OC 4158-5-RJ [0,1,0,0,0,0|1,0,1]=3 9 B7R0.10 COC(=O)[C@H](C)CO 2129-1-RC [0,1,0,0,0,0|1,0,2]=4 10 B7R0.16 C=C(C)[C@@H](N)C(=O)O 4357-5-R0 [0,1,0,0,0,0|1,0,1]=3 11 B7R0.16 CC(C)C(F)C(=O)O 2121-3-0K [0,1,0,0,0,0|1,0,2]=4 12 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 4157-1-44 [0,1,0,0,0,0|1,0,2]=4 13 B7R1.4 CC1=C(Br)C=NO1 4H44-9-01 [0,0,0,1,0,0|3,0,0]=4 14 B7R1.4 CC1=C(Br)SN=C1 7H70-9-0Q [0,0,0,1,0,0|2,1,0]=4 15 B7R1.4 CC1=C(O)C=CS1 6H61-1-03 [0,0,0,1,0,0|2,0,1]=4 16 B7R1.4 CC1=CNN=C1N 3H33-5-2H [0,0,0,1,0,0|3,0,0]=4 17 B7R1.4 CC1=CSC=C1O 6H01-1-0M [0,0,0,1,0,0|2,0,0]=3 18 B7R1.4 O=C1OCC[C@@H]1O 2H29-1-S0 [0,0,0,1,0,0|1,0,2]=4 19 B7R1.12 CC1CC1C(N)=O 4248-1-12 [0,0,0,1,0,0|1,0,2]=4 20 B7R1.12 C[C@@H]1C[C@H]1C(=O)O 2221-1-31 [0,0,0,1,0,0|0,0,2]=3 21 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 2221-1-12 [0,0,0,1,0,0|0,0,2]=3 22 B7R1.18 NC(=O)C1CCN1 4H48-5-2R [0,0,0,1,0,0|2,0,1]=4 23 B7R1.18 O=C(O)C1CCO1 2H21-1-68 [0,0,0,1,0,0|1,0,1]=3 24 B7R1.18 O=C(O)C1CSC1 6H66-1-63 [0,0,0,1,0,0|1,0,2]=4 25 B7R1.19 CC1(C(N)=O)CC1 4248-1-0B [0,0,0,1,0,0|1,0,2]=4 26 B7R0.2 O=C(O)CC(=O)CCl 2129-5-0F [0,0,0,0,0,1|2,0,1]=4 27 B4R0.1 CNC(C)=S 7167-1-41 [2,0,0,0,0,0|1,1,0]=4 28 B4R0.1 C\C(Br)=C/F 1300-B-E0 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.4 O=C(O)\C=C\CCl 2321-5-03 [1,1,0,0,0,0|0,0,0]=2 30 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O 4157-1-0Y [0,1,0,0,0,1|0,0,2]=4 31 B8R0.3 CCOC(=O)[C@@H](C)OC 2123-1-R4 [0,2,0,0,0,0|1,0,1]=4 32 B8R0.37 CC(C)(C(N)=O)C(=O)O 4148-1-40 [0,2,0,0,0,0|1,0,1]=4 33 B8R0.18 CC(C)=C(C#N)C(=O)O 4337-1-08 [0,2,0,0,0,0|0,0,1]=3 34 B6R1.2 ClC1=CC=CO1 2H10-5-0M [1,0,0,1,0,0|1,0,1]=4 35 B8R1.1 C=CC1COC(=O)C1 2H25-1-2G [0,0,0,1,0,1|0,0,2]=4 36 B8R1.18 CC1=C(C)SC(Cl)=N1 7H70-5-0W [0,0,0,1,0,1|1,1,0]=4 37 B8R1.18 C[C@@H]1NC(=O)OC1=O 4H56-1-S0C [0,0,0,1,0,1|1,0,1]=4 38 B8R1.31 CN1CC[C@@H]1C(=O)O 4H21-1-R6 [0,0,0,1,0,1|1,0,1]=4 39 B8R1.31 CN1CC[C@H]1C(=O)O 4H21-1-S6 [0,0,0,1,0,1|1,0,1]=4 40 B8R1.5 CC1=CN=CN=C1O 4H56-1-0HS [0,1,0,1,0,0|1,0,1]=4 41 B8R1.5 O=C1OC=CC=C1Br 2H25-9-64 [0,1,0,1,0,0|1,0,1]=4 42 B8R1.7 O=C(O)[C@H]1CCOC1 2H21-1-S0 [0,1,0,1,0,0|0,0,2]=4 43 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 2221-1-30 [0,1,0,1,0,0|0,0,2]=4 44 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 4257-1-27 [0,1,0,1,0,0|0,0,2]=4 45 B8R1.23 O=C(O)C1CC(Cl)C1 2221-5-05 [0,1,0,1,0,0|0,0,2]=4 46 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 2221-3-Z2 [0,1,0,1,0,0|0,0,2]=4 47 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 2221-5-E0 [0,1,0,1,0,0|0,0,2]=4 48 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 2221-3-E2 [0,1,0,1,0,0|0,0,2]=4 49 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 2229-1-E2 [0,1,0,1,0,0|0,0,2]=4 50 B8R1.78 CC1(C(=O)O)CNC1 4H58-5-7H [0,1,0,1,0,0|0,0,2]=4 51 B8R1.11 CC1=C(C=O)NC=C1 4H15-1-BV [0,1,0,1,0,0|1,0,1]=4 52 B8R1.11 CC1=C(C=O)SN=C1 8H15-1-0G [0,1,0,1,0,0|1,1,0]=4 53 B8R1.11 CC1=C(CN)C=NO1 4H56-1-0M5 [0,1,0,1,0,0|2,0,0]=4 54 B8R1.11 CC1=CNN=C1C=O 4H15-1-BT [0,1,0,1,0,0|2,0,0]=4 55 B8R1.50 CC1=NOC(C)=C1Cl 4H47-5-0W [0,1,0,1,0,0|2,0,0]=4 56 B8R1.50 CC1=NOC(C)=C1O 4H01-1-D4 [0,1,0,1,0,0|2,0,0]=4