0 B9R1.15 NC1=CC=CC=C1CO DB03058 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.15 SCC1=CC=CC=C1I DB03630 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.2 NCC1=CC=CC=C1 DB02464 [1,0,0,0,0,0|2,0,0]=3 3 B8R1.2 OCC1=CC=CN=C1 DB04145 [1,0,0,0,0,0|3,0,0]=4 4 B8R1.2 SCC1=CC=CN=C1 DB04490 [1,0,0,0,0,0|3,0,0]=4 5 B8R1.5 ClC1=C(Cl)C=CC=C1 DB13963 [1,0,0,0,0,0|2,0,0]=3 6 B8R1.5 NC1=CC=CC=C1F DB02403 [1,0,0,0,0,0|2,0,0]=3 7 B8R1.5 NC1=CC=CC=C1O DB01726 [1,0,0,0,0,0|1,0,0]=2 8 B8R1.5 OC1=CC=CC=C1Br DB04586 [1,0,0,0,0,0|1,0,0]=2 9 B8R1.5 OC1=CC=CC=C1Cl DB03110 [1,0,0,0,0,0|1,0,0]=2 10 B8R1.5 OC1=CC=CC=C1O DB02232 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.2 OCC1=CC=CC(F)=C1F DB04312 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.4 C=CCC1=CC=CC=C1O DB02534 [0,1,0,0,0,0|2,0,1]=4 13 B10R1.4 CCCC1=CC=CC=C1N DB02970 [0,1,0,0,0,0|2,0,0]=3 14 B10R1.25 OCC1=CC=C(F)C=C1F DB04448 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.61 NC1=CC=CC=C1C(=O)O DB04166 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.61 O=C(O)C1=C(S)C=CC=C1 DB14026 [0,1,0,0,0,0|3,0,0]=4 17 B10R2.7 C1=CC2=C(C=C1)NC=C2 DB04532 [0,0,0,1,0,0|1,0,2]=4 18 B10R2.7 C1=CC2=C(C=C1)OC=C2 DB04179 [0,0,0,1,0,0|0,0,2]=3 19 B10R2.7 C1=CC=C2NC=NC2=C1 DB02962 [0,0,0,1,0,0|2,0,1]=4 20 B7R1.3 CC1=CC=CN=C1 DB01996 [2,0,0,0,0,0|1,0,0]=3 21 B7R1.3 IC1=CC=CC=C1 DB02252 [2,0,0,0,0,0|1,0,0]=3 22 B7R1.3 NC1=CC=CC=C1 DB06728 [2,0,0,0,0,0|1,0,0]=3 23 B7R1.3 OC1=CC=CC=C1 DB03255 [2,0,0,0,0,0|0,0,0]=2 24 B7R1.3 SC1=CC=CC=N1 DB03329 [2,0,0,0,0,0|1,1,0]=4 25 B9R1.1 O=CC1=CC=C(O)C=C1 DB03560 [1,1,0,0,0,0|2,0,0]=4 26 B9R1.1 OCC1=CC=C(Br)C=C1 DB02822 [1,1,0,0,0,0|2,0,0]=4 27 B9R1.1 [NH3+]CC1=CC=C(F)C=C1 DB03243 [1,1,0,0,0,0|2,0,0]=4 28 B9R1.2 OCC1=CC=CC(I)=C1 DB03339 [1,1,0,0,0,0|2,0,0]=4 29 B9R1.6 CC(=O)C1=CC=CC=C1 DB04619 [1,1,0,0,0,0|1,0,0]=3 30 B9R1.6 C[C@@H](O)C1=CC=CC=C1 DB04784 [1,1,0,0,0,0|1,0,0]=3 31 B9R1.6 NC(=[NH2+])C1=CC=CC=C1 DB03127 [1,1,0,0,0,0|2,0,0]=4 32 B9R1.6 O=[S@](O)C1=CC=CC=C1 DB03848 [1,1,0,0,0,0|1,1,0]=4 33 B9R1.6 OB(O)C1=CC=CC=C1 DB01795 [1,1,0,0,0,0|2,0,0]=4 34 B9R1.8 NCCC1=CC=CC=C1 DB04325 [1,1,0,0,0,0|1,0,0]=3 35 B9R1.8 O=CCC1=CC=CC=C1 DB02178 [1,1,0,0,0,0|1,0,1]=4 36 B9R1.8 OCCC1=CC=CC=C1 DB02192 [1,1,0,0,0,0|1,0,0]=3 37 B9R1.3 C=C1C=CC=C(C)[C@@H]1N DB03842 [1,1,0,0,0,0|1,0,1]=4 38 B9R1.3 CC1=C(N)C=CC=C1F DB01986 [1,1,0,0,0,0|1,0,0]=3 39 B9R1.3 CC1=CC=CC(O)=C1O DB03454 [1,1,0,0,0,0|0,0,0]=2 40 B9R1.69 CC1=CC=C(C)C(N)=C1 DB02163 [1,1,0,0,0,0|1,0,0]=3 41 B9R1.69 CC1=CC=C(N)C=C1C DB03018 [1,1,0,0,0,0|0,0,0]=2 42 B9R1.69 CC1=CC=C(O)C(N)=C1 DB04533 [1,1,0,0,0,0|1,0,0]=3 43 B9R1.69 CC1=CC=C(O)C(O)=C1 DB04120 [1,1,0,0,0,0|1,0,0]=3 44 B9R1.69 CC1=CC=C(O)C=C1C DB04052 [1,1,0,0,0,0|0,0,0]=2 45 B11R1.53 COC1=NC=CN=C1C(C)C DB01760 [0,2,0,0,0,0|2,0,0]=4 46 B11R1.280 C=CC1=CC=C(O)C(OC)=C1 DB03514 [0,2,0,0,0,0|1,0,0]=3 47 B11R1.280 COC1=CC(OO)=CC=C1O DB03764 [0,2,0,0,0,0|1,0,0]=3 48 B11R2.10 NC1N=C2C=CC=CC2=N1 DB01665 [0,1,0,1,0,0|2,0,0]=4 49 B7R1.4 CC1=[NH+]C=CN1C DB03789 [1,0,0,0,1,0|2,0,0]=4