0 B9R1.13 CC(C)CC1=NC=CS1 I5359 [0,0,0,0,0,0|0,0,0]=0 1 B9R1.13 N=C(N)CC1=CC=CS1 T13938 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.13 O=C(Cl)CC1=CC=CS1 T0852 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.13 O=C(O)CC1=CC=CS1 T0647 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.13 O=[N+]([O-])CC1=NC=CN1 N18846 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.8 CCCC1=NC=CN1 P1456 [1,0,0,0,0,0|1,0,0]=2 6 B8R1.8 CCCC1=NC=CN1 P1456 [1,0,0,0,0,0|1,0,0]=2 7 B8R1.8 N#CCC1=CC=CS1 T5379 [1,0,0,0,0,0|2,0,1]=4 8 B8R1.8 NCCC1=CC=CS1 T0651 [1,0,0,0,0,0|2,0,0]=3 9 B8R1.8 NCCC1=CNC=N1 H2293 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.8 NCCC1=CNC=N1 H2389 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.8 OCCC1=CC=CS1 T0443 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.8 OCCC1=CNC=N1 I11788 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.8 OCCC1=CNC=N1 I11788 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.27 N[C@H](CO)CC1=CNC=N1 H4007 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.54 CC(C)SC1=NC(O)=NS1 H8073 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.54 CC1=CSC(CC(C)C)=N1 I7023 [0,1,0,0,0,0|0,0,0]=1 17 B10R1.54 NC(=O)CC1=NC(O)=CS1 H7462 [0,1,0,0,0,0|2,0,1]=4 18 B10R1.281 C[Si](C)(C)CC1=CC=CS1 T16682 [0,1,0,0,0,0|1,1,0]=3 19 B8R1.7 CC(=O)C1=CC=CS1 A0583 [0,0,0,0,1,0|2,0,1]=4 20 B8R1.7 CC(=O)C1=NC=CS1 A1214 [0,0,0,0,1,0|1,0,1]=3 21 B8R1.7 NC(=O)C1=NC=CS1 T15155 [0,0,0,0,1,0|2,0,1]=4 22 B8R1.7 NC(=S)C1=NC=CS1 T15154 [0,0,0,0,1,0|2,0,1]=4 23 B10R1.18 CN(C)CC1=CC=CC=C1 D18840 [0,0,0,0,0,1|3,0,0]=4 24 B7R1.1 CCC1=NC=CN1 E1455 [2,0,0,0,0,0|1,0,0]=3 25 B7R1.1 NCC1=CC=CS1 T3333 [2,0,0,0,0,0|2,0,0]=4 26 B7R1.1 NCC1=NC=CN1 I17075 [2,0,0,0,0,0|2,0,0]=4 27 B7R1.1 NCC1=NC=CS1 A16694 [2,0,0,0,0,0|1,0,0]=3 28 B7R1.1 O=CC1=NC=CS1 T17639 [2,0,0,0,0,0|1,0,1]=4 29 B7R1.1 OCC1=NC=CN1 I14917 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.7 CCCC1=NC(C)=CN1 M17091 [1,1,0,0,0,0|1,0,0]=3 31 B9R1.7 CCSC1=NC(N)=NS1 A7514 [1,1,0,0,0,0|2,0,0]=4 32 B9R1.11 CCC(=O)C1=CC=CS1 T3339 [1,1,0,0,0,0|1,0,1]=4 33 B9R1.35 CC1=CSC(C(C)C)=N1 I0640 [0,1,0,0,1,0|0,0,0]=2 34 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 B9590 [0,1,0,0,0,1|2,0,0]=4 35 B11R1.298 CN(C)C(CN)C1=CC=CS1 D16421 [0,2,0,0,0,0|2,0,0]=4 36 B11R1.43 CN(C)CC1=NC(CCl)=CS1 D10181 [0,2,0,0,0,0|1,0,0]=3 37 B11R1.43 CN(C)CC1=NC(CO)=CS1 T6823 [0,2,0,0,0,0|1,0,0]=3 38 B11R1.80 CC1=C(C)SC(CC(C)C)=N1 I7812 [0,2,0,0,0,0|0,0,0]=2 39 B11R1.80 CC1=NC(CC(C)C)SC1C D7879 [0,2,0,0,0,0|0,0,2]=4 40 B9R1.8 BrCCC1=NC=CC=C1 B18468 [1,0,0,0,0,1|2,0,0]=4 41 B9R1.8 CNCC1=CN=CC=C1 M13405 [1,0,0,0,0,1|2,0,0]=4 42 B9R1.8 NCCC1=CC=CC=N1 P3233 [1,0,0,0,0,1|2,0,0]=4 43 B9R1.8 NCCC1=CC=CN=C1 A18111 [1,0,0,0,0,1|2,0,0]=4 44 B9R1.8 NCCC1=CN=CC=C1 A12910 [1,0,0,0,0,1|2,0,0]=4 45 B9R1.8 OCCC1=NC=CC=C1 P0121 [1,0,0,0,0,1|2,0,0]=4 46 B9R1.8 OCCC1=NC=CN=C1 H13361 [1,0,0,0,0,1|2,0,0]=4