0 B6R0.2 C=C(I)CC(=O)O E73427 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.1 C=C(C)C#CC AT18764 [1,0,0,0,0,0|1,0,1]=3 2 B7R1.2 CC1=CC=C(N)S1 32908 [0,0,0,1,0,0|1,1,1]=4 3 B7R1.2 CC1=CN=C(Br)O1 F20659 [0,0,0,1,0,0|2,0,0]=3 4 B7R1.2 CC1=CN=C(N)N1 28111 [0,0,0,1,0,0|3,0,0]=4 5 B7R1.2 CC1=COC(Cl)=N1 AT18557 [0,0,0,1,0,0|2,0,1]=4 6 B7R1.2 C[C@H]1CC(=O)CN1 AT25616 [0,0,0,1,0,0|2,0,1]=4 7 B7R1.2 C[C@H]1CC(=O)CN1 AT25617 [0,0,0,1,0,0|2,0,1]=4 8 B7R1.2 C[C@H]1CC(=O)CN1 AT25618 [0,0,0,1,0,0|2,0,1]=4 9 B7R1.2 C[C@H]1CC(=O)CN1 C92326 [0,0,0,1,0,0|2,0,1]=4 10 B7R1.2 C[C@H]1CC(=O)CN1 C92327 [0,0,0,1,0,0|2,0,1]=4 11 B7R1.2 NC1=NC=C(Br)O1 D76175 [0,0,0,1,0,0|3,0,0]=4 12 B7R1.2 O=C1CSC(=O)C1 AT24293 [0,0,0,1,0,0|3,0,0]=4 13 B7R1.16 CC1(O)CC(=O)C1 AT22537 [0,0,0,1,0,0|2,0,1]=4 14 B7R1.20 O=C(Cl)OC1CC1 C77415 [0,0,0,1,0,0|1,0,2]=4 15 B7R1.20 O=C(O)C=C1CC1 AT21198 [0,0,0,1,0,0|2,0,1]=4 16 B5R0.5 CC(=O)[C@H](C)N 91521 [0,0,0,0,1,0|1,0,1]=3 17 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O D98095 [0,0,0,0,1,0|2,0,1]=4 18 B4R0.1 CN(N)C=O D74578 [2,0,0,0,0,0|2,0,0]=4 19 B6R0.1 COCC(=O)CBr AT12825 [1,1,0,0,0,0|2,0,0]=4 20 B6R0.4 CC(=O)CCCN C77428 [1,1,0,0,0,0|1,0,1]=4 21 B6R0.4 NC\C=C/C(=O)O AT20734 [1,1,0,0,0,0|2,0,0]=4 22 B6R0.4 NC\C=C\C(=O)O AT20733 [1,1,0,0,0,0|2,0,0]=4 23 B8R0.19 COC(=O)CC(=O)CF AT24447 [0,2,0,0,0,0|2,0,0]=4 24 B8R0.34 CC(=O)OC(C)(C)CO C90621 [0,2,0,0,0,0|0,0,2]=4 25 B6R1.2 BrC1=CN=CO1 AT11056 [1,0,0,1,0,0|2,0,0]=4 26 B6R1.2 O=C1C=COC1 D75288 [1,0,0,1,0,0|2,0,0]=4 27 B6R1.2 O=C1NC=CO1 C74434 [1,0,0,1,0,0|1,0,0]=3 28 B6R1.4 NN1CCC1=O 33382 [0,0,0,1,1,0|2,0,0]=4 29 B6R1.4 N[C@H]1CCC1=O AT24523 [0,0,0,1,1,0|1,0,1]=4 30 B6R1.4 O=C1CC[C@@H]1O 94997 [0,0,0,1,1,0|1,0,1]=4 31 B8R1.3 O=C1CC[C@H](O)CO1 AT23772 [0,0,0,1,0,1|1,0,1]=4 32 B8R1.3 O=C1CC[C@H](O)CO1 AT23773 [0,0,0,1,0,1|1,0,1]=4 33 B8R1.23 O=C1C[C@@H](C(=O)O)O1 P17181 [0,0,0,1,0,1|2,0,0]=4 34 B8R1.51 CC1(C)CC(=O)NO1 D73554 [0,0,0,1,0,1|0,0,2]=4 35 B8R1.1 BrCC1=NC=C(Br)O1 87116 [0,1,0,1,0,0|2,0,0]=4 36 B8R1.1 CC1=CC(CN)=CS1 D76884 [0,1,0,1,0,0|1,1,0]=4 37 B8R1.1 CC1=COC(C=O)=C1 P11782 [0,1,0,1,0,0|2,0,0]=4 38 B8R1.1 CC1=COC(CN)=C1 P11789 [0,1,0,1,0,0|1,0,1]=4 39 B8R1.1 CC1=COC(CN)=N1 72853 [0,1,0,1,0,0|1,0,1]=4 40 B8R1.1 CC1=NC(CBr)=CS1 D78646 [0,1,0,1,0,0|1,1,0]=4 41 B8R1.1 CCC1=NC=C(Br)O1 AT18672 [0,1,0,1,0,0|2,0,0]=4 42 B8R1.1 FC1=CC=C(CBr)O1 55271 [0,1,0,1,0,0|1,0,1]=4 43 B8R1.1 NC1=NC=C(CO)O1 AT18684 [0,1,0,1,0,0|2,0,0]=4 44 B8R1.1 NCC1=CC=C(Cl)O1 AT17313 [0,1,0,1,0,0|1,0,1]=4 45 B8R1.1 NCC1=NC=C(Br)O1 86227 [0,1,0,1,0,0|2,0,0]=4 46 B8R1.1 NCC1=NNC(=O)O1 AT18775 [0,1,0,1,0,0|2,0,0]=4 47 B8R1.1 O=C1C=C[C@H](CBr)O1 AC6821 [0,1,0,1,0,0|0,0,2]=4 48 B8R1.1 OCC1=CC=C(Cl)O1 AC8965 [0,1,0,1,0,0|1,0,1]=4 49 B8R1.1 OCC1=CC=C(F)O1 55270 [0,1,0,1,0,0|1,0,1]=4 50 B8R1.1 SCC1=CC=C(Cl)O1 AT17318 [0,1,0,1,0,0|1,0,1]=4 51 B8R1.18 CC1=NC(C)=C(Br)O1 AT18671 [0,1,0,1,0,0|1,0,1]=4 52 B8R1.18 CN1CC(=O)NC1=S D73591 [0,1,0,1,0,0|2,0,0]=4 53 B8R1.18 CN1OC(=O)C=C1N AT19693 [0,1,0,1,0,0|1,0,1]=4 54 B8R1.18 C[C@@H]1NC(=O)CC1=O D72747 [0,1,0,1,0,0|1,0,1]=4 55 B8R1.18 N[C@H]1CC(=O)NC1=O AT18961 [0,1,0,1,0,0|2,0,0]=4 56 B8R1.18 N[C@H]1CC(=O)NC1=O AT18962 [0,1,0,1,0,0|2,0,0]=4 57 B8R1.18 N[C@H]1CC(=O)NC1=O AT18963 [0,1,0,1,0,0|2,0,0]=4 58 B8R1.18 N[C@H]1CC(=O)OC1=O AT25837 [0,1,0,1,0,0|1,0,0]=3 59 B8R1.40 COC(=O)C=C1CC1 AT21192 [0,1,0,1,0,0|1,0,1]=4 60 B8R1.42 CC(=O)OC1(C)CC1 D96854 [0,1,0,1,0,0|0,0,2]=4