0 B9R1.34 CC1=CC(=CC(=N1)C)O PH010817 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.34 CC1=CC(=CC(=N1)O)O PH010608 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.34 CC1=CC(=CC(=O)N1)O L479489 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.34 CC1=CC(=CC(=O)N1)O OTV000023 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.34 CC1=CC(=NC(=N1)C)C PH009718 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.34 CC1=CC(=NC(=N1)N)C S936685 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.34 CC1=CC(=NC(=N1)O)C S368512 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.34 CC1=CC(=NC(=N1)S)C R432288 [0,0,0,0,0,0|2,1,1]=4 8 B9R1.34 CC1=CC(=NC(=N1)S)C S439029 [0,0,0,0,0,0|2,1,1]=4 9 B9R1.34 CC1=CC(=NC(=O)N1)C PH000309 [0,0,0,0,0,0|2,0,2]=4 10 B9R1.34 CC1=NC(=CC(=N1)O)Cl MNO000006 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.34 CC1=NC(=CC(=N1)O)Cl S379018 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.34 CC1=NC(=O)CC(=O)N1 S216828 [0,0,0,0,0,0|1,0,3]=4 13 B9R1.34 NC1=CC(=NC(=N1)N)O R276863 [0,0,0,0,0,0|2,0,1]=3 14 B9R1.34 NC1=CC(=NC(=N1)O)S S790060 [0,0,0,0,0,0|1,1,2]=4 15 B9R1.34 NC1=NC(=NC(=N1)N)N R426555 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.34 NC1=NC(=NC(=N1)O)N R436623 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.4 BrC1=CC(=NC=N1)Br BCH00053 [1,0,0,0,0,0|2,0,1]=4 18 B8R1.4 CC1=CC=NC(=O)C1 S681601 [1,0,0,0,0,0|2,0,1]=4 19 B8R1.4 CC1=NC(=CC=N1)Cl PHB00236 [1,0,0,0,0,0|2,0,1]=4 20 B8R1.4 CC1=NC(=CC=N1)N CDS014871 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.4 CC1=NC=NC(=C1)S R901148 [1,0,0,0,0,0|1,1,1]=4 22 B8R1.4 FC1=CC(=NC=N1)F CDS002862 [1,0,0,0,0,0|2,0,1]=4 23 B8R1.4 IC1=CC(=NC=N1)I SYX00025 [1,0,0,0,0,0|2,0,1]=4 24 B8R1.4 NC1=CC(=O)N=CN1 ANV00026 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.4 NC1=CC=CC(=N1)O CDS008897 [1,0,0,0,0,0|2,0,1]=4 26 B8R1.4 NC1=CC=NC(=C1)O CDS020248 [1,0,0,0,0,0|2,0,1]=4 27 B8R1.4 NC1=NC=NC(=N1)N S367753 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.4 OC1=CC=CC(=N1)O S458678 [1,0,0,0,0,0|1,0,2]=4 29 B10R1.8 CC1=CC(=NC(=N1)CN)O PH019082 [0,1,0,0,0,0|2,0,1]=4 30 B10R1.8 COC1=NC(=NC(=C1)I)N SYX00382 [0,1,0,0,0,0|2,0,1]=4 31 B10R1.22 CC1=C(C(=NC(=N1)S)O)C PH000196 [0,1,0,0,0,0|1,1,1]=4 32 B10R1.22 CC1=NC(=C(C(=C1)O)C)O PH001768 [0,1,0,0,0,0|2,0,1]=4 33 B10R1.22 CC1=NC(=C(C(=N1)O)Br)O S216925 [0,1,0,0,0,0|1,0,1]=3 34 B10R1.22 CC1=NC(=NC(=C1Br)O)O PH009737 [0,1,0,0,0,0|1,0,2]=4 35 B10R1.22 CC1=NC(=NC(=C1Cl)O)O S359440 [0,1,0,0,0,0|1,0,2]=4 36 B10R1.22 NC1=NC(=C(C(=N1)Cl)I)O PH006449 [0,1,0,0,0,0|2,0,1]=4 37 B10R1.22 NC1=NC(=C(C(=N1)O)N)N S540897 [0,1,0,0,0,0|2,0,1]=4 38 B10R1.22 NC1=NC(=NC(=C1N)O)O S765945 [0,1,0,0,0,0|1,0,2]=4 39 B7R1.3 OC1=CC=NC=C1 CDS013613 [2,0,0,0,0,0|1,0,1]=4 40 B7R1.3 SC1=NC=CC=N1 S565652 [2,0,0,0,0,0|0,1,1]=4 41 B9R1.2 CC1=NC(=CC=N1)CO CBR01737 [1,1,0,0,0,0|1,0,1]=4 42 B9R1.2 COC1=CC(=NC=N1)I SYX00370 [1,1,0,0,0,0|1,0,1]=4 43 B9R1.2 CSC1=NC=CC(=N1)O S217336 [1,1,0,0,0,0|0,1,1]=4 44 B9R1.2 CSC1=NC=CC(=N1)O S440043 [1,1,0,0,0,0|0,1,1]=4 45 B9R1.2 NCC1=CC(=NC=N1)O CBR02401 [1,1,0,0,0,0|1,0,1]=4 46 B9R1.3 CC1=C(C(=NC=N1)O)C CBR02089 [1,1,0,0,0,0|1,0,1]=4 47 B9R1.3 CC1=C(C(=NC=N1)O)F S217212 [1,1,0,0,0,0|1,0,1]=4 48 B9R1.3 CC1=NC=NC(=C1O)O S217778 [1,1,0,0,0,0|1,0,1]=4 49 B9R1.69 CC1=C(N=C(N=C1)N)O CBR00408 [1,1,0,0,0,0|1,0,1]=4 50 B9R1.69 OC1=C(C=NC(=N1)S)Cl S173541 [1,1,0,0,0,0|0,1,1]=4 51 B11R1.34 COCC1=CC(=NC(=N1)S)O CDS001184 [0,2,0,0,0,0|0,1,1]=4 52 B11R1.34 NCCC1=NC(=CC(=N1)O)O PH019252 [0,2,0,0,0,0|1,0,1]=4 53 B11R1.74 O=C(O)C1=CC(=NC(=N1)S)O S409146 [0,2,0,0,0,0|0,1,1]=4 54 B11R1.74 O=C([O-])C1=CC(=NC(=N1)O)O S603155 [0,2,0,0,0,0|2,0,0]=4 55 B11R1.464 CCC1=C(N=C(N=C1O)S)O S580376 [0,2,0,0,0,0|0,1,1]=4 56 B7R1.2 CC1=NN=C(S1)O CBR01599 [1,0,0,0,1,0|2,0,0]=4 57 B7R1.2 OC1=NN=C(N1)S CDS012623 [1,0,0,0,1,0|1,1,0]=4