0 B5R0.3 COC(=O)CN G18901 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.1 CC(=O)NO A3293 [1,0,0,0,0,0|2,0,0]=3 2 B4R0.1 CC(N)=NN A13105 [1,0,0,0,0,0|3,0,0]=4 3 B4R0.1 CCC(=N)N P12993 [1,0,0,0,0,0|2,0,1]=4 4 B4R0.1 CC[C@@H](C)O B4806 [1,0,0,0,0,0|0,0,3]=4 5 B4R0.1 CC[C@H](C)O B4805 [1,0,0,0,0,0|0,0,3]=4 6 B4R0.1 CSC(=N)N M13864 [1,0,0,0,0,0|3,0,0]=4 7 B4R0.1 C\C(N)=N\O H13104 [1,0,0,0,0,0|2,0,1]=4 8 B4R0.1 NC(=O)NO H13275 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.1 C=CC(=O)CCC H17062 [0,1,0,0,0,0|2,0,1]=4 10 B6R0.1 CCO\C(C)=N/O H17707 [0,1,0,0,0,0|1,0,2]=4 11 B6R0.3 CCC(C)C(=N)N M13845 [0,1,0,0,0,0|1,0,2]=4 12 B6R0.3 CCC(N)C(=O)O A2780 [0,1,0,0,0,0|1,0,2]=4 13 B6R0.3 CC[C@H](N)C(=O)O H17729 [0,1,0,0,0,0|1,0,2]=4 14 B6R0.3 CC[C@H](N)C(N)=O A3220 [0,1,0,0,0,0|1,0,2]=4 15 B6R0.3 CC[C@H](N)C(N)=O A3220 [0,1,0,0,0,0|1,0,2]=4 16 B6R1.2 BrC1=CNN=C1 B17685 [0,0,0,1,0,0|3,0,0]=4 17 B6R1.2 BrC1=CSC=C1 B7562 [0,0,0,1,0,0|1,1,1]=4 18 B6R1.2 CC1=CNC=N1 M0110 [0,0,0,1,0,0|2,0,1]=4 19 B6R1.2 CC1=CON=C1 M14375 [0,0,0,1,0,0|1,0,1]=3 20 B6R1.2 IC1=CNN=C1 I8759 [0,0,0,1,0,0|3,0,0]=4 21 B6R1.2 O=C1C=CCC1 C18886 [0,0,0,1,0,0|2,0,1]=4 22 B6R1.2 [NH3+]C1=CNN=C1 P12536 [0,0,0,1,0,0|3,0,0]=4 23 B3R0.2 CC(=N)N A12781 [2,0,0,0,0,0|2,0,0]=4 24 B5R0.1 CCCC(=O)O B18853 [1,1,0,0,0,0|1,0,1]=4 25 B5R0.1 CNCC(=O)O S18803 [1,1,0,0,0,0|1,0,1]=4 26 B5R0.1 C\C(I)=C\CI D16723 [1,1,0,0,0,0|1,0,0]=3 27 B5R0.5 CC(=O)C(C)O A1243 [1,1,0,0,0,0|0,0,1]=3 28 B5R0.5 CC(Br)C(=O)O B18872 [1,1,0,0,0,0|1,0,1]=4 29 B5R0.5 CC(C)C(=N)N M12995 [1,1,0,0,0,0|1,0,1]=4 30 B5R0.5 CC(C)C(N)=O I11048 [1,1,0,0,0,0|0,0,1]=3 31 B5R0.5 CC(Cl)C(=O)Cl C18873 [1,1,0,0,0,0|1,0,1]=4 32 B5R0.5 CN(C)C(=N)N D13765 [1,1,0,0,0,0|2,0,0]=4 33 B5R0.5 C[C@@H](Cl)C(=O)O C6128 [1,1,0,0,0,0|1,0,1]=4 34 B5R0.5 C[C@@H](N)C(=O)O A6086 [1,1,0,0,0,0|1,0,1]=4 35 B5R0.5 C[C@H](Cl)C(=O)O C4804 [1,1,0,0,0,0|1,0,1]=4 36 B5R0.5 C[C@H](N)C(N)=O A6327 [1,1,0,0,0,0|1,0,1]=4 37 B7R0.2 CC[C@H](C)CC(=O)O M13871 [0,2,0,0,0,0|0,0,2]=4 38 B7R0.13 CCC(C)(O)C(=O)O H0152 [0,2,0,0,0,0|0,0,2]=4 39 B7R0.13 CC[C@@](C)(N)C(=O)O A16690 [0,2,0,0,0,0|0,0,2]=4 40 B5R1.2 O=C1CCC1 C17719 [1,0,0,1,0,0|0,0,1]=3 41 B5R1.2 O=C1CCN1 A18280 [1,0,0,1,0,0|1,0,0]=3 42 B5R1.2 O=C1COC1 O19064 [1,0,0,1,0,0|1,0,1]=4 43 B5R1.1 C1=CCNC1 P12964 [1,0,0,1,0,0|1,0,1]=4 44 B5R1.1 C1=CON=C1 I12950 [1,0,0,1,0,0|1,0,1]=4 45 B7R1.1 BrCC1=CSC=C1 B8083 [0,1,0,1,0,0|0,1,1]=4 46 B7R1.1 BrCC1=CSC=C1 B8083 [0,1,0,1,0,0|0,1,1]=4 47 B7R1.1 C(=O)C1=CSC=C1 T0722 [0,1,0,1,0,0|0,0,2]=4 48 B7R1.1 C(=O)C1=CSC=C1 T0722 [0,1,0,1,0,0|0,0,2]=4 49 B7R1.1 O=CC1=CC=CN1 P4103 [0,1,0,1,0,0|0,0,2]=4 50 B7R1.1 O=CC1=CC=CN1 P4103 [0,1,0,1,0,0|0,0,2]=4 51 B7R1.1 O=CC1=CC=CS1 T1387 [0,1,0,1,0,0|0,0,2]=4 52 B7R1.1 O=CC1=CN=CS1 T17632 [0,1,0,1,0,0|1,0,1]=4 53 B7R1.1 O=CC1=CNC=N1 I2653 [0,1,0,1,0,0|1,0,1]=4 54 B7R1.1 O=CC1=CSC=N1 T17623 [0,1,0,1,0,0|1,0,1]=4 55 B7R1.1 O=CC1=NC=CS1 T17639 [0,1,0,1,0,0|1,0,1]=4 56 B7R1.1 O=CC1=NNC=C1 M3639 [0,1,0,1,0,0|1,0,1]=4 57 B7R1.2 CC1=CC(=O)NN1 M2903 [0,1,0,1,0,0|2,0,0]=4 58 B7R1.2 CC1=CC(Br)=CS1 B8084 [0,1,0,1,0,0|1,1,0]=4 59 B7R1.2 CC1=CC=C(Br)S1 B3937 [0,1,0,1,0,0|1,0,1]=4 60 B7R1.2 CC1=CC=C(C)N1 D1487 [0,1,0,1,0,0|1,0,0]=3 61 B7R1.2 CC1=CC=C(C)S1 P14109 [0,1,0,1,0,0|1,0,0]=3 62 B7R1.2 CC1=CN=C(Cl)S1 C3520 [0,1,0,1,0,0|2,0,0]=4 63 B7R1.2 CC1=CN=C(N)S1 A0591 [0,1,0,1,0,0|2,0,0]=4 64 B7R1.2 CC1=CNC(C)=N1 D12856 [0,1,0,1,0,0|1,0,0]=3 65 B7R1.2 CC1=CSC(N)=N1 A5326 [0,1,0,1,0,0|1,1,0]=4 66 B7R1.2 CC1=NC(Br)=CN1 B7504 [0,1,0,1,0,0|2,0,0]=4 67 B7R1.2 CC1=NC(I)=CN1 M4036 [0,1,0,1,0,0|2,0,0]=4 68 B7R1.2 CN1C=C(Br)C=N1 B18453 [0,1,0,1,0,0|2,0,0]=4 69 B7R1.2 O=C1C=CC(=O)N1 M17760 [0,1,0,1,0,0|1,0,1]=4 70 B7R1.2 O=C1CCC(=O)C1 C13983 [0,1,0,1,0,0|1,0,1]=4 71 B7R1.2 O=C1CNC(=O)O1 O13300 [0,1,0,1,0,0|2,0,0]=4 72 B7R1.2 O=C1CSC(=O)N1 T0472 [0,1,0,1,0,0|2,0,0]=4 73 B7R1.3 CC1=CN=CN=C1 M17713 [0,1,0,1,0,0|1,0,1]=4 74 B7R1.4 C=C1CCOC1=O M11697 [0,1,0,1,0,0|0,0,2]=4 75 B7R1.4 CC1=C(Br)SC=C1 B5335 [0,1,0,1,0,0|0,1,1]=4 76 B7R1.4 CC1=C(C)SC=N1 D0729 [0,1,0,1,0,0|0,1,0]=3 77 B7R1.4 CC1=C(Cl)SC=C1 C1192 [0,1,0,1,0,0|0,1,1]=4 78 B7R1.4 CC1=NNC=C1Br B7502 [0,1,0,1,0,0|2,0,0]=4 79 B7R1.4 CC1OCCC1=O M5424 [0,1,0,1,0,0|0,0,2]=4 80 B7R1.4 CN1SC=CC1=O M5023 [0,1,0,1,0,0|1,0,1]=4 81 B7R1.18 O=C(O)C1CCN1 A19377 [0,1,0,1,0,0|1,0,1]=4 82 B7R1.18 O=C(O)[C@@H]1CCN1 A17680 [0,1,0,1,0,0|1,0,1]=4 83 B7R1.18 O=C(O)[C@@H]1CCN1 A5102 [0,1,0,1,0,0|1,0,1]=4 84 B7R1.18 O=C(O)[C@@H]1CCN1 A5102 [0,1,0,1,0,0|1,0,1]=4 85 B7R1.18 O=C(O)[C@H]1CCN1 A7252 [0,1,0,1,0,0|1,0,1]=4