0 B9R1.13 CC(=O)NC1=NC=CS1 OR3555 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.13 CC(C)CC1=NC=CS1 OR8109 [0,0,0,0,0,0|0,0,0]=0 2 B9R1.13 CC(N)CC1=CC=CS1 OR322580 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.13 NC(=S)NC1=NC=CS1 OR6809 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.13 O=C(Cl)CC1=CC=CS1 OR10151 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.13 O=C(O)CC1=CC=CS1 OR5059 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.8 CCCC1=CC=CO1 OR3221 [1,0,0,0,0,0|1,1,0]=3 7 B8R1.8 CCCC1=NC=CS1 OR8147 [1,0,0,0,0,0|0,0,0]=1 8 B8R1.8 CNCC1=COC=N1 OR59851 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.8 N#CCC1=CC=CS1 OR10147 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.8 NCCC1=CC=CS1 OR10144 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.8 NCCC1=CNC=N1 OR28842 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.8 NCCC1=NC=CN1 OR305182 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.8 OCCC1=CC=CS1 OR6571 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.8 OCCN1C=CC=N1 OR11946 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.23 CC(Br)C(=O)C1=CC=CS1 OR15139 [0,1,0,0,0,0|2,0,1]=4 16 B10R1.27 COC(=O)CC1=CC=CS1 OR8687 [0,1,0,0,0,0|2,0,1]=4 17 B10R1.54 CC(=O)NC1=NC=C(Br)S1 OR15548 [0,1,0,0,0,0|2,0,1]=4 18 B10R1.54 CC(=O)NC1=NC=C(C)S1 OR909503 [0,1,0,0,0,0|2,0,1]=4 19 B10R1.54 CC1=CSC(CC(N)=O)=N1 OR8136 [0,1,0,0,0,0|2,0,1]=4 20 B8R1.7 CC(=O)C1=CC=CS1 OR10140 [0,0,0,0,1,0|2,0,1]=4 21 B8R1.7 CC(=O)C1=NC=CN1 OR313011 [0,0,0,0,1,0|2,0,1]=4 22 B8R1.7 CC(=O)C1=NC=CS1 OR4953 [0,0,0,0,1,0|1,0,1]=3 23 B8R1.7 CC(C)=C1C=CC=C1 OR52345 [0,0,0,0,1,0|2,0,1]=4 24 B8R1.7 CC(C)C1C=CC=C1 OR62075 [0,0,0,0,1,0|2,0,1]=4 25 B8R1.7 CC(N)C1=CC=CO1 OR01656 [0,0,0,0,1,0|2,1,0]=4 26 B8R1.7 CC(N)C1=CC=CS1 OR01764 [0,0,0,0,1,0|2,0,0]=3 27 B8R1.7 O=C(Cl)C1=NC=CS1 OR0455 [0,0,0,0,1,0|2,0,1]=4 28 B8R1.7 O=C(O)C1=NC=CS1 OR15912 [0,0,0,0,1,0|2,0,1]=4 29 B8R1.7 OB(O)C1=NC=CS1 OR360483 [0,0,0,0,1,0|3,0,0]=4 30 B10R1.18 CC(=O)CC1=NC=CC=C1 OR302235 [0,0,0,0,0,1|2,0,1]=4 31 B10R1.18 CC(Br)CC1=CC=CC=C1 OR323250 [0,0,0,0,0,1|3,0,0]=4 32 B10R1.18 CC(C)CC1=CC=CC=C1 OR22170 [0,0,0,0,0,1|2,0,0]=3 33 B10R1.18 CC(C)SC1=CC=CC=C1 OR18312 [0,0,0,0,0,1|3,0,0]=4 34 B10R1.18 CC(N)CC1=NC=CC=C1 OR40277 [0,0,0,0,0,1|2,0,0]=3 35 B10R1.18 CC(O)CC1=CC=CC=C1 OR8956 [0,0,0,0,0,1|3,0,0]=4 36 B10R1.18 CN(C)CC1=CC=CC=C1 OR54497 [0,0,0,0,0,1|3,0,0]=4 37 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 OR150 [0,0,0,0,0,1|3,0,0]=4 38 B7R1.1 CCC1=CC=CN1 OR42007 [2,0,0,0,0,0|1,0,1]=4 39 B7R1.1 CCC1=CC=CO1 OR6028 [2,0,0,0,0,0|1,1,0]=4 40 B7R1.1 CCC1=CC=CS1 OR7250 [2,0,0,0,0,0|1,0,0]=3 41 B7R1.1 CCC1=CSC=N1 OR303339 [2,0,0,0,0,0|2,0,0]=4 42 B7R1.1 CCC1=NC=CN1 OR2906 [2,0,0,0,0,0|1,0,0]=3 43 B7R1.1 CCN1C=CC=N1 OR61206 [2,0,0,0,0,0|2,0,0]=4 44 B7R1.1 CSC1=CC=CS1 OR4091 [2,0,0,0,0,0|2,0,0]=4 45 B7R1.1 ClCC1=CC=CS1 OR305427 [2,0,0,0,0,0|2,0,0]=4 46 B7R1.1 ClCC1=NC=CN1 OR7713 [2,0,0,0,0,0|2,0,0]=4 47 B7R1.1 ClCC1=NC=CO1 OR301217 [2,0,0,0,0,0|1,1,0]=4 48 B7R1.1 NCC1=CC=CS1 OR6799 [2,0,0,0,0,0|2,0,0]=4 49 B7R1.1 NCC1=NC=CN1 OR6209 [2,0,0,0,0,0|2,0,0]=4 50 B7R1.1 NCC1=NC=CO1 OR313058 [2,0,0,0,0,0|1,1,0]=4 51 B7R1.1 NCC1=NC=CS1 OR59828 [2,0,0,0,0,0|1,0,0]=3 52 B7R1.1 NCC1=NC=CS1 OR61043 [2,0,0,0,0,0|1,0,0]=3 53 B7R1.1 O=CC1=NC=CS1 OR14343 [2,0,0,0,0,0|1,0,1]=4 54 B7R1.1 OCC1=CC=CS1 OR59889 [2,0,0,0,0,0|2,0,0]=4 55 B7R1.1 OCC1=NC=CN1 OR23115 [2,0,0,0,0,0|2,0,0]=4 56 B7R1.1 OCC1=NC=CN1 OR6415 [2,0,0,0,0,0|2,0,0]=4 57 B7R1.1 OCC1=NC=CO1 OR59845 [2,0,0,0,0,0|1,1,0]=4 58 B7R1.1 OCC1=NC=CS1 OR14307 [2,0,0,0,0,0|1,0,0]=3 59 B7R1.1 SCC1=CC=CS1 OR51965 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.7 CCOC1=NC(Br)=CS1 OR15556 [1,1,0,0,0,0|1,0,0]=3 61 B9R1.7 CCSC1=NN=C(N)S1 OR14426 [1,1,0,0,0,0|2,0,0]=4 62 B9R1.7 CCSC1=NN=C(S)S1 OR9951 [1,1,0,0,0,0|2,0,0]=4 63 B9R1.7 CNCC1=CC=C(C)S1 OR12379 [1,1,0,0,0,0|2,0,0]=4 64 B9R1.7 NCCC1=CC(Br)=CS1 OR40610 [1,1,0,0,0,0|2,0,0]=4 65 B9R1.11 O=C(CBr)C1=NC=CS1 OR2881 [1,1,0,0,0,0|1,0,1]=4 66 B9R1.12 CCCCC1=CC=CO1 OR3223 [1,1,0,0,0,0|1,1,0]=4 67 B9R1.19 CC(C)(C)C1=NC=CN1 OR52331 [0,1,0,0,1,0|1,0,0]=3 68 B9R1.19 C[Si](C)(C)C1=NC=CS1 OR2997 [0,1,0,0,1,0|0,1,0]=3 69 B9R1.35 CC(C)C1=NC(Br)=CS1 OR15557 [0,1,0,0,1,0|0,0,0]=2 70 B9R1.35 CC(C)C1=NSC(N)=N1 OR14831 [0,1,0,0,1,0|2,0,0]=4 71 B9R1.35 CC(C)N1C=C(Br)C=N1 OR11985 [0,1,0,0,1,0|2,0,0]=4 72 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 OR3204 [0,1,0,0,0,1|2,0,0]=4 73 B11R1.20 CC(C)NC1=NC=C(Br)C=N1 OR15515 [0,1,0,0,0,1|2,0,0]=4 74 B11R1.157 CC(C)CC1=CC=CC(N)=C1 OR40688 [0,1,0,0,0,1|2,0,0]=4 75 B11R1.157 CC(C)NC1=CC(Cl)=NC=N1 OR59375 [0,1,0,0,0,1|2,0,0]=4 76 B11R1.157 CC(C)NC1=NC(Cl)=CN=C1 OR11635 [0,1,0,0,0,1|2,0,0]=4 77 B9R2.2 C1=CC(C2CC2)=NN1 OR303295 [1,0,0,1,0,0|2,0,0]=4 78 B9R2.3 C1=CN2CCCC2=N1 OR42179 [1,0,0,1,0,0|1,0,0]=3 79 B9R2.3 C1=CN2CCNC2=N1 OR306494 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.8 CCCC1=CC=NC=C1 OR13622 [1,0,0,0,0,1|2,0,0]=4 81 B9R1.8 CCOC1=NC=CC=C1 OR40436 [1,0,0,0,0,1|2,0,0]=4 82 B9R1.8 CNCC1=CC=CN=C1 OR30155 [1,0,0,0,0,1|2,0,0]=4 83 B9R1.8 CNCC1=NC=CC=C1 OR12501 [1,0,0,0,0,1|2,0,0]=4 84 B9R1.8 CNCC1=NC=CC=C1 OR51995 [1,0,0,0,0,1|2,0,0]=4 85 B9R1.8 COCC1=NC=CC=C1 OR13609 [1,0,0,0,0,1|2,0,0]=4 86 B9R1.8 ClCCC1=NC=CC=C1 OR303592 [1,0,0,0,0,1|2,0,0]=4 87 B9R1.8 NCCC1=NC=CC=C1 OR28599 [1,0,0,0,0,1|2,0,0]=4 88 B9R1.8 NCCC1=NC=CN=C1 OR1046 [1,0,0,0,0,1|2,0,0]=4 89 B9R1.8 OCCC1=CC=CN=C1 OR0520 [1,0,0,0,0,1|2,0,0]=4 90 B9R1.8 OCCC1=NC=CC=C1 OR13610 [1,0,0,0,0,1|2,0,0]=4 91 B9R1.8 SCCC1=NC=CC=C1 OR305591 [1,0,0,0,0,1|2,0,0]=4 92 B11R1.91 CN(C)CCC1=NC=CC=C1 OR28892 [0,0,0,0,0,2|2,0,0]=4