0 B7R1.3 CC1=CC=CC=C1 DB11558 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.3 CC1=CC=CC=N1 DB04874 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.3 CC1=CC=CN=C1 DB01996 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.3 IC1=CC=CC=C1 DB02252 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.3 N=C1C=CNC=C1 DB06637 [0,0,0,0,0,0|0,0,2]=2 5 B7R1.3 NC1=CC=CC=C1 DB06728 [0,0,0,0,0,0|1,0,0]=1 6 B7R1.3 OC1=CC=CC=C1 DB03255 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.3 SC1=CC=CC=N1 DB03329 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.2 NCC1=CC=CC=C1 DB02464 [0,1,0,0,0,0|1,0,0]=2 9 B8R1.2 OCC1=CC=CC=C1 DB06770 [0,1,0,0,0,0|2,0,0]=3 10 B8R1.2 OCC1=CC=CN=C1 DB04145 [0,1,0,0,0,0|3,0,0]=4 11 B8R1.2 SCC1=CC=CN=C1 DB04490 [0,1,0,0,0,0|3,0,0]=4 12 B8R1.3 CC1=CC=C(O)C=C1 DB01688 [0,1,0,0,0,0|2,0,0]=3 13 B8R1.3 NC1=CC=C(N)C=C1 DB14141 [0,1,0,0,0,0|1,0,0]=2 14 B8R1.3 NC1=CC=C(O)C=C1 DB14144 [0,1,0,0,0,0|1,0,0]=2 15 B8R1.3 OC1=CC=C(Cl)C=C1 DB13154 [0,1,0,0,0,0|2,0,0]=3 16 B8R1.3 OC1=CC=C(I)C=C1 DB03002 [0,1,0,0,0,0|2,0,0]=3 17 B8R1.3 OC1=CC=C(O)C=C1 DB09526 [0,1,0,0,0,0|2,0,0]=3 18 B8R1.4 CC1=CC=CC(O)=C1 DB01776 [0,1,0,0,0,0|2,0,0]=3 19 B8R1.4 NC1=CN=CC(Cl)=N1 DB02297 [0,1,0,0,0,0|3,0,0]=4 20 B8R1.4 O=C1C=CNC(=O)N1 DB03419 [0,1,0,0,0,0|2,0,1]=4 21 B8R1.4 OC1=CC=CC(Cl)=C1 DB01957 [0,1,0,0,0,0|2,0,0]=3 22 B8R1.4 OC1=CC=CC(O)=C1 DB11085 [0,1,0,0,0,0|2,0,0]=3 23 B8R1.4 [C@H]1(O)C=CN=C(O)N1 DB03939 [0,1,0,0,0,0|2,0,1]=4 24 B8R1.5 ClC1=C(Cl)C=CC=C1 DB13963 [0,1,0,0,0,0|2,0,0]=3 25 B8R1.5 N=C1C=CNC=C1N DB11640 [0,1,0,0,0,0|0,0,2]=3 26 B8R1.5 NC1=CC=CC=C1F DB02403 [0,1,0,0,0,0|1,0,0]=2 27 B8R1.5 NC1=CC=CC=C1O DB01726 [0,1,0,0,0,0|1,0,0]=2 28 B8R1.5 OC1=CC=CC=C1Br DB04586 [0,1,0,0,0,0|2,0,0]=3 29 B8R1.5 OC1=CC=CC=C1Cl DB03110 [0,1,0,0,0,0|2,0,0]=3 30 B8R1.5 OC1=CC=CC=C1O DB02232 [0,1,0,0,0,0|2,0,0]=3 31 B8R1.5 [O-][N+]1=C(S)C=CC=C1 DB06815 [0,1,0,0,0,0|3,0,0]=4 32 B6R1.2 CC1=CN=CN1 DB03385 [0,0,0,0,1,0|2,0,0]=3 33 B6R1.2 CC1=CNC=C1 DB01932 [0,0,0,0,1,0|1,0,1]=3 34 B6R1.2 CC1=CNN=C1 DB01213 [0,0,0,0,1,0|2,0,0]=3 35 B6R1.2 CN1C=C[NH+]=C1 DB02671 [0,0,0,0,1,0|2,0,1]=4 36 B6R1.2 IC1=CNN=C1 DB02721 [0,0,0,0,1,0|2,0,0]=3 37 B7R1.2 NC1=NN=C(S)S1 DB12348 [0,1,0,0,1,0|2,0,0]=4 38 B9R1.1 COC1=CC=C(O)C=C1 DB09516 [0,2,0,0,0,0|2,0,0]=4 39 B9R1.1 O=CC1=CC=C(O)C=C1 DB03560 [0,2,0,0,0,0|2,0,0]=4 40 B9R1.1 OCC1=CC=C(Br)C=C1 DB02822 [0,2,0,0,0,0|2,0,0]=4 41 B9R1.1 [NH3+]CC1=CC=C(F)C=C1 DB03243 [0,2,0,0,0,0|1,0,1]=4 42 B9R1.2 OCC1=CC=CC(I)=C1 DB03339 [0,2,0,0,0,0|2,0,0]=4 43 B9R1.6 CC(=O)C1=CC=CC=C1 DB04619 [0,2,0,0,0,0|2,0,0]=4 44 B9R1.6 C[C@@H](O)C1=CC=CC=C1 DB04784 [0,2,0,0,0,0|2,0,0]=4 45 B9R1.6 NC(=O)C1=CC=CN=C1 DB02701 [0,2,0,0,0,0|2,0,0]=4 46 B9R1.6 NC(=[NH2+])C1=CC=CC=C1 DB03127 [0,2,0,0,0,0|1,0,0]=3 47 B9R1.6 O=C(O)C1=CC=CC=C1 DB03793 [0,2,0,0,0,0|2,0,0]=4 48 B9R1.6 O=[S@](O)C1=CC=CC=C1 DB03848 [0,2,0,0,0,0|2,0,0]=4 49 B9R1.6 OB(O)C1=CC=CC=C1 DB01795 [0,2,0,0,0,0|2,0,0]=4 50 B9R1.8 NCCC1=CC=CC=C1 DB04325 [0,2,0,0,0,0|1,0,0]=3 51 B9R1.8 O=CCC1=CC=CC=C1 DB02178 [0,2,0,0,0,0|2,0,0]=4 52 B9R1.8 OCCC1=CC=CC=C1 DB02192 [0,2,0,0,0,0|2,0,0]=4 53 B9R1.15 COC1=C(O)C=CC=C1 DB11359 [0,2,0,0,0,0|2,0,0]=4 54 B9R1.15 NC1=CC=CC=C1CO DB03058 [0,2,0,0,0,0|1,0,0]=3 55 B9R1.15 SCC1=CC=CC=C1I DB03630 [0,2,0,0,0,0|2,0,0]=4 56 B9R1.69 C=C1C=NC(C)=NC1=N DB01788 [0,2,0,0,0,0|1,0,1]=4 57 B9R1.69 CC1=CC=C(C)C(N)=C1 DB02163 [0,2,0,0,0,0|1,0,0]=3 58 B9R1.69 CC1=CC=C(N)C=C1C DB03018 [0,2,0,0,0,0|1,0,0]=3 59 B9R1.69 CC1=CC=C(O)C(N)=C1 DB04533 [0,2,0,0,0,0|1,0,0]=3 60 B9R1.69 CC1=CC=C(O)C(O)=C1 DB04120 [0,2,0,0,0,0|2,0,0]=4 61 B9R1.69 CC1=CC=C(O)C=C1C DB04052 [0,2,0,0,0,0|2,0,0]=4 62 B9R1.69 CC1=CN=C(C)N=C1N DB02372 [0,2,0,0,0,0|1,0,0]=3 63 B9R1.69 CN1C=CC(N)=NC1=O DB04314 [0,2,0,0,0,0|1,0,1]=4 64 B9R1.69 NC1=C(F)C=NC(=O)N1 DB01099 [0,2,0,0,0,0|1,0,0]=3 65 B9R1.69 O=C1C=C(O)C(Cl)=CN1 DB09257 [0,2,0,0,0,0|1,0,1]=4 66 B9R1.3 C=C1C=CC=C(C)[C@@H]1N DB03842 [0,2,0,0,0,0|1,0,1]=4 67 B9R1.3 CC1=C(N)C=CC=C1F DB01986 [0,2,0,0,0,0|1,0,0]=3 68 B9R1.3 CC1=C([O-])C(=O)C=CO1 DB05420 [0,2,0,0,0,0|2,0,0]=4 69 B9R1.3 CC1=CC=CC(O)=C1O DB03454 [0,2,0,0,0,0|2,0,0]=4 70 B9R1.3 C[N+]1=C(N)C=CNC1=O DB04103 [0,2,0,0,0,0|1,0,1]=4 71 B9R1.34 ClC1=CC(Cl)=CC(Cl)=C1 DB03836 [0,2,0,0,0,0|2,0,0]=4 72 B9R1.34 NC1=CC(F)=CC(F)=C1 DB03238 [0,2,0,0,0,0|1,0,0]=3 73 B9R1.34 OC1=CC(O)=CC(O)=C1 DB12944 [0,2,0,0,0,0|2,0,0]=4 74 B5R1.1 C1=CNC=N1 DB03366 [1,0,0,0,1,0|1,0,0]=3 75 B5R1.1 C1=CNN=C1 DB02757 [1,0,0,0,1,0|1,0,0]=3 76 B5R1.1 C1=C[N-]C=N1 DB03840 [1,0,0,0,1,0|1,0,0]=3 77 B5R1.1 C1=NC=NN1 DB03594 [1,0,0,0,1,0|2,0,0]=4