0 B5R0.1 C#CCN(C)C 4830AL [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 CC(C)=CC=O 8071AJ [0,0,0,0,0,0|0,0,0]=0 2 B5R0.1 CC(C)CNN X2968 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 CCC=C(F)F 2794AE [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 C=CB(O)O X3458 [1,0,0,0,0,0|3,0,0]=4 5 B4R0.1 O=CC(=O)[O-] 6895AF [1,0,0,0,0,0|2,0,0]=3 6 B4R0.1 O=CC(Cl)Cl 6817AF [1,0,0,0,0,0|2,0,1]=4 7 B4R0.2 C=C=CCC 4475AL [1,0,0,0,0,0|1,0,2]=4 8 B4R0.2 C=C\C=C/C 7414AL [1,0,0,0,0,0|1,0,0]=2 9 B4R0.2 CCC=NO 0148AQ [1,0,0,0,0,0|1,0,2]=4 10 B4R0.2 C\C=C/CO 5583AB [1,0,0,0,0,0|0,0,2]=3 11 B4R0.2 C\C=C\CBr 8491AJ [1,0,0,0,0,0|1,0,1]=3 12 B6R0.1 COC(=O)NC=O 3236AB [0,1,0,0,0,0|2,0,0]=3 13 B6R0.2 CC(=O)CN(C)C 4784AD [0,1,0,0,0,0|1,0,1]=3 14 B6R0.2 CC(C)=CC(C)C 5316AL [0,1,0,0,0,0|1,0,1]=3 15 B6R0.3 CC(C)\C(N)=N\O 4447AB [0,1,0,0,0,0|1,0,2]=4 16 B6R0.3 CN(C)C(=S)S[Na] 7050AF [0,1,0,0,0,0|3,0,0]=4 17 B6R0.3 C\C=C(/C)C(=O)Cl 3889AL [0,1,0,0,0,0|3,0,0]=4 18 B6R0.3 C\C=C(/C)C(C)C 9218AL [0,1,0,0,0,0|1,0,1]=3 19 B6R0.3 C\C=C(\C)C(C)C 7430AL [0,1,0,0,0,0|1,0,1]=3 20 B6R0.4 CC(C)=CCCO 1893AC [0,1,0,0,0,0|0,0,2]=3 21 B6R0.4 C\C=C\CC(=O)O 6149AL [0,1,0,0,0,0|3,0,0]=4 22 B6R1.2 CC1=CCCO1 0728AQ [0,0,0,1,0,0|2,0,1]=4 23 B6R1.2 CC1=CNC=C1 W7383 [0,0,0,1,0,0|1,0,1]=3 24 B6R1.2 CC1=COC=C1 X5961 [0,0,0,1,0,0|0,0,2]=3 25 B6R1.2 FC1=CSC=C1 6051AL [0,0,0,1,0,0|1,1,1]=4 26 B6R1.2 FC1=NNC=C1 7175AA [0,0,0,1,0,0|3,0,0]=4 27 B6R1.2 NC1=CC=CS1 9727AA [0,0,0,1,0,0|3,0,0]=4 28 B6R1.2 NC1=CC=CS1 Y9627 [0,0,0,1,0,0|3,0,0]=4 29 B6R1.2 OC1=CC=CO1 X6571 [0,0,0,1,0,0|3,0,0]=4 30 B3R0.1 C=CCF 0124AF [2,0,0,0,0,0|1,0,1]=4 31 B3R0.1 F\C=C\Cl 3974AE [2,0,0,0,0,0|2,0,0]=4 32 B3R0.2 CC(=O)O O309 [2,0,0,0,0,0|1,0,0]=3 33 B3R0.2 CC(=O)[O-] E849 [2,0,0,0,0,0|1,0,0]=3 34 B3R0.2 O=C([O-])[O-] 8474AF [2,0,0,0,0,0|2,0,0]=4 35 B5R0.3 C=CC(C)ON 4428AJ [1,1,0,0,0,0|1,0,1]=4 36 B5R0.3 C=C[C@@H](N)CO 3384AB [1,1,0,0,0,0|1,0,1]=4 37 B5R0.3 C=C\C(C)=C\C 6089AL [1,1,0,0,0,0|0,0,0]=2 38 B5R0.3 O=CC(O)CO 7054AF [1,1,0,0,0,0|1,0,1]=4 39 B5R0.5 CC(=O)C(C)N X5091 [1,1,0,0,0,0|1,0,1]=4 40 B5R0.5 CC(O)C(=O)O Y1768 [1,1,0,0,0,0|1,0,1]=4 41 B5R0.5 CN(C)C(=N)N 3681AL [1,1,0,0,0,0|2,0,0]=4 42 B5R0.5 O=C(O)C(=O)O 7152AB [1,1,0,0,0,0|2,0,0]=4 43 B5R0.2 C=CC\C=C/C 0307AQ [1,1,0,0,0,0|1,0,0]=3 44 B5R0.2 O=CNCCO 0539AQ [1,1,0,0,0,0|1,0,1]=4 45 B5R0.2 OC\C=C\CCl 9318AA [1,1,0,0,0,0|0,0,2]=4 46 B5R0.2 OC\C=C\CO Z3450 [1,1,0,0,0,0|0,0,2]=4 47 B7R0.2 CC[C@@H](C)CC(=O)O 8695AA [0,2,0,0,0,0|0,0,2]=4 48 B7R0.2 CN(C)C=C(Br)C=O 0627AQ [0,2,0,0,0,0|1,0,0]=3 49 B7R0.2 CN(C)C=C(I)C=O 1090AQ [0,2,0,0,0,0|1,0,0]=3 50 B7R0.2 CNC(=O)CC(=O)O 3048AE [0,2,0,0,0,0|1,0,1]=4 51 B7R0.2 CNC(C)CC(=O)O 5359AD [0,2,0,0,0,0|0,0,2]=4 52 B7R0.2 CO\C(C)=C\C(=O)O 4935AD [0,2,0,0,0,0|0,0,0]=2 53 B7R0.3 CC\C=C\C(C)CC 6800AL [0,2,0,0,0,0|1,0,1]=4 54 B7R0.3 C\C=C\CC(C)CC 6795AL [0,2,0,0,0,0|1,0,1]=4 55 B7R0.9 C[As+](C)(C)CC(=O)[O-] 0064AQ [0,2,0,0,0,0|1,0,1]=4 56 B7R0.16 CC(=O)C(F)C(C)=O 1795AC [0,2,0,0,0,0|1,0,1]=4 57 B7R0.16 CC(=O)C(N)C(=O)O 0001AC [0,2,0,0,0,0|1,0,1]=4 58 B7R0.14 C\C=C(/C)C(C)(C)C 9217AL [0,2,0,0,0,0|1,0,1]=4 59 B7R0.4 C=C(C)CC\C=C\C 5695AL [0,2,0,0,0,0|1,0,1]=4 60 B7R0.4 CC(C)=C=CCCO 0509AQ [0,2,0,0,0,0|0,0,2]=4 61 B7R0.4 CN(C)CCCC=O 5485AH [0,2,0,0,0,0|1,0,1]=4 62 B7R0.4 CN(C)CCNC=O 1239AC [0,2,0,0,0,0|1,0,1]=4 63 B7R0.4 C\C=C\C=C\C(C)=O 5332AL [0,2,0,0,0,0|2,0,0]=4 64 B7R0.6 CC(C)=CCC(C)C 5373AL [0,2,0,0,0,0|1,0,1]=4 65 B7R0.8 CC\C=C/C(C)(C)C 7420AL [0,2,0,0,0,0|1,0,1]=4 66 B7R1.1 BrCC1=CC=NO1 0787AC [0,1,0,1,0,0|2,0,0]=4 67 B7R1.1 BrCC1=COC=C1 Z5546 [0,1,0,1,0,0|0,0,2]=4 68 B7R1.1 CCC1=CCCC1 4839AL [0,1,0,1,0,0|1,0,1]=4 69 B7R1.1 CCC1=[C-]CC=C1 3755AB [0,1,0,1,0,0|1,0,1]=4 70 B7R1.1 CSC1=CC=CO1 3661AD [0,1,0,1,0,0|2,0,0]=4 71 B7R1.1 ClCC1=NOC=C1 8517AB [0,1,0,1,0,0|1,0,1]=4 72 B7R1.1 NCC1=CC=NO1 5355AB [0,1,0,1,0,0|2,0,0]=4 73 B7R1.1 OCC1=CC=NS1 8796AA [0,1,0,1,0,0|2,0,0]=4 74 B7R1.2 CC1=CC(N)=CS1 7683AA [0,1,0,1,0,0|1,0,1]=4 75 B7R1.2 CC1=CC=C(Br)O1 Z5451 [0,1,0,1,0,0|2,0,0]=4 76 B7R1.2 CC1=CN=C(Br)O1 Y7373 [0,1,0,1,0,0|2,0,0]=4 77 B7R1.2 CC1=CN=C(N)N1 X7979 [0,1,0,1,0,0|2,0,0]=4 78 B7R1.2 CC1=CSC(N)=C1 7351AA [0,1,0,1,0,0|0,1,1]=4 79 B7R1.2 CC1=NC(N)=CS1 0820AA [0,1,0,1,0,0|2,0,0]=4 80 B7R1.2 CC1=NC=C(N)O1 7685AA [0,1,0,1,0,0|2,0,0]=4 81 B7R1.2 CC1=NOC(Br)=C1 3130AJ [0,1,0,1,0,0|1,0,1]=4 82 B7R1.2 CC1=NOC(I)=C1 3237AJ [0,1,0,1,0,0|1,0,1]=4 83 B7R1.2 CC1=NSC(Cl)=C1 3191AJ [0,1,0,1,0,0|1,1,0]=4 84 B7R1.2 CC1CNC(=O)C1 X7991 [0,1,0,1,0,0|0,0,2]=4 85 B7R1.2 CC1CNC(=O)O1 8398AC [0,1,0,1,0,0|1,0,1]=4 86 B7R1.2 CC1CSC(=O)S1 0954AB [0,1,0,1,0,0|1,0,1]=4 87 B7R1.2 NC1=NCC(=O)N1 6924AB [0,1,0,1,0,0|2,0,0]=4 88 B7R1.2 O=C1C=C(Br)CN1 X5058 [0,1,0,1,0,0|1,0,0]=3 89 B7R1.2 O=C1C=C[C@@H](O)C1 1307AL [0,1,0,1,0,0|1,0,1]=4 90 B7R1.2 O=C1C=C[C@H](O)C1 1131AL [0,1,0,1,0,0|1,0,1]=4 91 B7R1.3 O=C1C=COCC1 2954AC [0,1,0,1,0,0|1,0,1]=4 92 B7R1.4 CC1=C(I)C=NO1 Y9878 [0,1,0,1,0,0|2,0,0]=4 93 B7R1.4 CC1=C(N)C=CS1 1720AB [0,1,0,1,0,0|1,1,0]=4 94 B7R1.4 CC1=C(N)C=NO1 4024AC [0,1,0,1,0,0|2,0,0]=4 95 B7R1.4 CC1=CSC=C1N 6789AB [0,1,0,1,0,0|0,1,1]=4 96 B7R1.6 O=CCC1CCC1 0019AC [0,1,0,1,0,0|0,0,2]=4 97 B7R1.10 O=C1CC(CCl)C1 2253AL [0,1,0,1,0,0|0,0,2]=4 98 B7R1.15 C[C@@H]1NC(=O)[C@H]1N Z1696 [0,1,0,1,0,0|1,0,1]=4 99 B7R1.12 CC1CC1C(N)=O 0078AF [0,1,0,1,0,0|0,0,2]=4 100 B7R1.7 O=CCCC1CC1 8213AB [0,1,0,1,0,0|0,0,2]=4