0 B10R1.64 CC1=C(CC(=O)O)N=CN1 AT15590 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.64 CC1=NC=CN1CC(=O)O W16424 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.13 CC(=O)CC1=CSC=C1 66590 [1,0,0,0,0,0|1,1,0]=3 3 B9R1.13 CC(=O)NC1=CNN=C1 AT23103 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.13 C[C@H](N)CC1=COC=C1 89732 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.13 C[C@H](N)CC1=COC=C1 89733 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.13 C[C@H](N)CC1=COC=C1 89734 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.33 CNCC1=C(C)ON=C1 F14262 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.645 CC(=O)NC1=C(Br)SC(Br)=C1 H11570 [0,1,0,0,0,0|2,1,0]=4 9 B9R1.41 CC(=O)C1=C(Br)C=CO1 AT17466 [0,0,0,0,1,0|3,0,0]=4 10 B9R1.41 CC(=O)C1=C(O)C=CS1 AT16388 [0,0,0,0,1,0|3,0,0]=4 11 B9R1.41 CC(=O)N1C=COC1=O C16070 [0,0,0,0,1,0|2,0,0]=3 12 B9R1.41 CC1=C(C(=O)Cl)OC=N1 AT23456 [0,0,0,0,1,0|3,0,0]=4 13 B9R1.41 CC1=C(C(N)=O)N=CO1 58493 [0,0,0,0,1,0|2,0,0]=3 14 B9R1.41 CC1=CNC=C1C(=O)O 71038 [0,0,0,0,1,0|3,0,0]=4 15 B9R1.41 CC1=COC=C1C(=O)O 72440 [0,0,0,0,1,0|3,0,0]=4 16 B9R1.41 CC1=CSC=C1C(=O)Cl AT17065 [0,0,0,0,1,0|3,0,0]=4 17 B9R1.41 O=C(O)C1=C(Br)OC=C1 AT17113 [0,0,0,0,1,0|2,0,0]=3 18 B11R1.86 CC(=O)NC1=C(Br)C=CC=N1 F18386 [0,0,0,0,0,1|3,0,0]=4 19 B11R1.86 CC(=O)NC1=C(C)N=CC=C1 F14250 [0,0,0,0,0,1|2,0,0]=3 20 B11R1.86 CC(=O)NC1=C(I)C=NC=C1 D71943 [0,0,0,0,0,1|3,0,0]=4 21 B11R1.86 CC(=O)NC1=C(N)C=CN=C1 C16214 [0,0,0,0,0,1|3,0,0]=4 22 B11R1.86 CC(=O)NC1=NN=CC=C1C AC7622 [0,0,0,0,0,1|3,0,0]=4 23 B11R1.86 CC(=O)OC1=C(Br)C=CC=C1 F13222 [0,0,0,0,0,1|2,1,0]=4 24 B11R1.86 CC1=NC=CN=C1CC(=O)O A51230 [0,0,0,0,0,1|3,0,0]=4 25 B11R1.90 CC1=C(OCC(=O)O)C=NO1 AT19680 [0,0,0,0,0,1|2,1,0]=4 26 B11R1.157 CC(=O)CC1=CC(C)=CC=C1 N12785 [0,0,0,0,0,1|2,0,0]=3 27 B11R1.157 CC(=O)NC1=CC=CC(Cl)=N1 F17978 [0,0,0,0,0,1|3,0,0]=4 28 B11R1.157 CC(=O)NC1=NC(N)=NC=C1 CS2583 [0,0,0,0,0,1|3,0,0]=4 29 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 AC5601 [0,0,0,0,0,1|3,0,0]=4 30 B8R1.11 CC1=C(C#N)C=CO1 AT17522 [2,0,0,0,0,0|1,0,1]=4 31 B8R1.11 CC1=C(C=O)C=CS1 AT16762 [2,0,0,0,0,0|0,1,0]=3 32 B8R1.11 CC1=C(C=O)N=CO1 AT18594 [2,0,0,0,0,0|1,0,0]=3 33 B8R1.11 CC1=C(CN)C=CO1 AT17524 [2,0,0,0,0,0|1,0,1]=4 34 B8R1.11 CC1=C(CN)C=CO1 AT17541 [2,0,0,0,0,0|1,0,1]=4 35 B10R1.39 CCC1=C(C(=O)O)C=CO1 AT17500 [0,1,0,0,1,0|1,0,0]=3 36 B10R1.39 CCC1=C(C(=O)O)C=NO1 71632 [0,1,0,0,1,0|2,0,0]=4 37 B10R1.39 CCC1=C(C(=O)O)N=CO1 AT12735 [0,1,0,0,1,0|2,0,0]=4 38 B10R1.39 O=CC1=C(C(=O)O)C=CO1 AT17493 [0,1,0,0,1,0|1,0,1]=4 39 B10R1.59 CC(=O)C1=C(C)NC(=O)N1 F18115 [0,1,0,0,1,0|2,0,0]=4 40 B10R1.59 CC(=O)C1=CC(N)=CN1C 97921 [0,1,0,0,1,0|2,0,0]=4 41 B10R1.59 CC1=C(C(=O)O)N=C(Br)O1 F13395 [0,1,0,0,1,0|2,0,0]=4 42 B10R1.192 CC(=O)C1=C(C)NN=C1C 71180 [0,1,0,0,1,0|2,0,0]=4 43 B10R1.192 CC(=O)C1=C(C)ON=C1C 91324 [0,1,0,0,1,0|1,0,0]=3 44 B10R1.192 CC1=C(C(=O)O)C(Br)=NO1 AT19722 [0,1,0,0,1,0|2,0,0]=4 45 B10R1.192 CC1=COC(C)=C1C(=O)O AT17497 [0,1,0,0,1,0|1,0,0]=3 46 B10R1.192 CC1=CSC(C)=C1C(=O)O 93333 [0,1,0,0,1,0|1,1,0]=4 47 B10R1.194 CC(=O)C1=C(C)N(C)N=C1 71437 [0,1,0,0,1,0|2,0,0]=4 48 B12R1.75 COC1=CC=CN=C1CC(C)=O F31310 [0,1,0,0,0,1|2,0,0]=4 49 B12R1.124 CC(=O)[C@H](N)C1=C(C)C=CC=C1 N15524 [0,1,0,0,0,1|2,0,0]=4 50 B12R1.224 CC(=O)NC1=C(C)C(C)=CC=C1 F12500 [0,1,0,0,0,1|2,0,0]=4 51 B12R1.224 CC(=O)NC1=CC=CC(Br)=C1C F18030 [0,1,0,0,0,1|2,0,0]=4 52 B12R1.224 CC(=O)OC1=CN=CC(F)=C1C AC4174 [0,1,0,0,0,1|1,1,0]=4 53 B12R1.233 CC(=O)NC1=C(C)C=C(Br)C=C1 C13349 [0,1,0,0,0,1|2,0,0]=4 54 B12R1.233 CC(=O)NC1=C(C)C=C(C)N=C1 F17997 [0,1,0,0,0,1|2,0,0]=4 55 B12R1.233 CC(=O)NC1=CN=C(Br)C=C1C F18384 [0,1,0,0,0,1|2,0,0]=4 56 B12R1.233 CC(=O)NC1=CN=C(Cl)C=C1C D87663 [0,1,0,0,0,1|2,0,0]=4 57 B12R1.371 CCC(=O)CC1=C(C)C=CC=C1 N14163 [0,1,0,0,0,1|2,0,0]=4 58 B12R1.19 CC(=O)NC1=NC(C)=C(F)C=C1 36635 [0,1,0,0,0,1|2,0,0]=4 59 B12R1.50 COC(=O)CC1=CC(C)=NC=C1 D87645 [0,1,0,0,0,1|2,0,0]=4 60 B12R1.438 CC(=O)NC1=CC(CO)=CC=C1 D85913 [0,1,0,0,0,1|2,0,0]=4 61 B8R1.7 CC(=O)C1=CN=CO1 F19037 [1,0,0,0,1,0|2,0,0]=4 62 B8R1.7 CC(=O)C1=COC=N1 AT18593 [1,0,0,0,1,0|1,0,0]=3 63 B8R1.7 CC(=O)C1=CSN=C1 AT21129 [1,0,0,0,1,0|1,1,0]=4 64 B8R1.7 C[C@H](N)C1=COC=C1 AT17538 [1,0,0,0,1,0|1,0,1]=4 65 B8R1.7 C[C@H](N)C1=COC=C1 N16718 [1,0,0,0,1,0|1,0,1]=4 66 B8R1.7 C[C@H](O)C1=COC=C1 AT17475 [1,0,0,0,1,0|0,0,2]=4 67 B8R1.7 C[C@H](O)C1=COC=C1 AT17477 [1,0,0,0,1,0|0,0,2]=4 68 B8R1.7 NC(=O)C1=NOC=C1 AT19826 [1,0,0,0,1,0|2,0,0]=4 69 B8R1.7 NC(=S)C1=COC=C1 AT17536 [1,0,0,0,1,0|1,1,0]=4 70 B8R1.7 O=C(Cl)C1=COC=N1 D78648 [1,0,0,0,1,0|2,0,0]=4 71 B10R1.4 CC1=C(CC=O)C=CC=C1 W16821 [1,0,0,0,0,1|2,0,0]=4 72 B12R1.125 CC(=O)SCC1=C(Cl)C=CC=C1 W11173 [0,0,0,0,0,2|2,0,0]=4 73 B12R1.226 CC1=CC=CC(SCC(=O)O)=C1 AT20929 [0,0,0,0,0,2|2,0,0]=4