0 B7R1.3 CC1=CC=CN=C1 DB01996 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.3 IC1=CC=CC=C1 DB02252 [0,0,0,0,0,0|1,0,0]=1 2 B7R1.3 NC1=CC=CC=C1 DB06728 [0,0,0,0,0,0|1,0,0]=1 3 B7R1.3 OC1=CC=CC=C1 DB03255 [0,0,0,0,0,0|0,0,0]=0 4 B7R1.3 SC1=CC=CC=N1 DB03329 [0,0,0,0,0,0|1,1,0]=2 5 B8R1.2 NCC1=CC=CC=C1 DB02464 [0,1,0,0,0,0|1,0,0]=2 6 B8R1.2 OCC1=CC=CN=C1 DB04145 [0,1,0,0,0,0|1,0,0]=2 7 B8R1.2 SCC1=CC=CN=C1 DB04490 [0,1,0,0,0,0|1,1,0]=3 8 B8R1.3 CC1=CC=C(O)C=C1 DB01688 [0,1,0,0,0,0|0,0,0]=1 9 B8R1.3 NC1=CC=C(N)C=C1 DB14141 [0,1,0,0,0,0|1,0,0]=2 10 B8R1.3 NC1=CC=C(O)C=C1 DB14144 [0,1,0,0,0,0|0,0,0]=1 11 B8R1.3 OC1=CC=C(I)C=C1 DB03002 [0,1,0,0,0,0|0,0,0]=1 12 B8R1.4 CC1=CC=CC(O)=C1 DB01776 [0,1,0,0,0,0|0,0,0]=1 13 B8R1.4 NC1=CN=CC(Cl)=N1 DB02297 [0,1,0,0,0,0|3,0,0]=4 14 B8R1.4 O=C1C=CNC(=O)N1 DB03419 [0,1,0,0,0,0|2,0,1]=4 15 B8R1.4 OC1=CC=CC(Cl)=C1 DB01957 [0,1,0,0,0,0|0,0,0]=1 16 B8R1.4 [C@H]1(O)C=CN=C(O)N1 DB03939 [0,1,0,0,0,0|2,0,1]=4 17 B8R1.5 ClC1=C(Cl)C=CC=C1 DB13963 [0,1,0,0,0,0|1,0,0]=2 18 B8R1.5 NC1=CC=CC=C1F DB02403 [0,1,0,0,0,0|1,0,0]=2 19 B8R1.5 NC1=CC=CC=C1O DB01726 [0,1,0,0,0,0|0,0,0]=1 20 B8R1.5 OC1=CC=CC=C1Br DB04586 [0,1,0,0,0,0|0,0,0]=1 21 B8R1.5 OC1=CC=CC=C1Cl DB03110 [0,1,0,0,0,0|0,0,0]=1 22 B8R1.5 OC1=CC=CC=C1O DB02232 [0,1,0,0,0,0|0,0,0]=1 23 B6R1.2 CC1=CN=CN1 DB03385 [0,0,0,0,1,0|3,0,0]=4 24 B6R1.2 CC1=CNC=C1 DB01932 [0,0,0,0,1,0|2,0,0]=3 25 B6R1.2 CN1C=C[NH+]=C1 DB02671 [0,0,0,0,1,0|3,0,0]=4 26 B6R1.2 IC1=CNN=C1 DB02721 [0,0,0,0,1,0|3,0,0]=4 27 B5R0.1 C\C=C\C(=O)O DB02074 [1,0,1,0,0,0|1,0,1]=4 28 B7R0.6 O=C(O)\C=C/C(=O)O DB04299 [0,1,1,0,0,0|2,0,0]=4 29 B7R0.6 O=C(O)\C=C\C(=O)O DB01677 [0,1,1,0,0,0|2,0,0]=4 30 B9R1.1 O=CC1=CC=C(O)C=C1 DB03560 [0,2,0,0,0,0|0,0,0]=2 31 B9R1.1 OCC1=CC=C(Br)C=C1 DB02822 [0,2,0,0,0,0|0,0,0]=2 32 B9R1.1 [NH3+]CC1=CC=C(F)C=C1 DB03243 [0,2,0,0,0,0|1,0,0]=3 33 B9R1.2 OCC1=CC=CC(I)=C1 DB03339 [0,2,0,0,0,0|0,0,0]=2 34 B9R1.6 CC(=O)C1=CC=CC=C1 DB04619 [0,2,0,0,0,0|0,0,1]=3 35 B9R1.6 C[C@@H](O)C1=CC=CC=C1 DB04784 [0,2,0,0,0,0|0,0,0]=2 36 B9R1.6 NC(=[NH2+])C1=CC=CC=C1 DB03127 [0,2,0,0,0,0|1,0,0]=3 37 B9R1.6 O=[S@](O)C1=CC=CC=C1 DB03848 [0,2,0,0,0,0|0,0,0]=2 38 B9R1.6 OB(O)C1=CC=CC=C1 DB01795 [0,2,0,0,0,0|0,0,0]=2 39 B9R1.8 NCCC1=CC=CC=C1 DB04325 [0,2,0,0,0,0|1,0,0]=3 40 B9R1.8 O=CCC1=CC=CC=C1 DB02178 [0,2,0,0,0,0|0,0,1]=3 41 B9R1.8 OCCC1=CC=CC=C1 DB02192 [0,2,0,0,0,0|0,0,0]=2 42 B9R1.15 NC1=CC=CC=C1CO DB03058 [0,2,0,0,0,0|0,0,0]=2 43 B9R1.15 SCC1=CC=CC=C1I DB03630 [0,2,0,0,0,0|0,1,0]=3 44 B9R1.69 CC1=CC=C(C)C(N)=C1 DB02163 [0,2,0,0,0,0|1,0,0]=3 45 B9R1.69 CC1=CC=C(N)C=C1C DB03018 [0,2,0,0,0,0|1,0,0]=3 46 B9R1.69 CC1=CC=C(O)C(N)=C1 DB04533 [0,2,0,0,0,0|0,0,0]=2 47 B9R1.69 CC1=CC=C(O)C(O)=C1 DB04120 [0,2,0,0,0,0|0,0,0]=2 48 B9R1.69 CC1=CC=C(O)C=C1C DB04052 [0,2,0,0,0,0|0,0,0]=2 49 B9R1.3 C=C1C=CC=C(C)[C@@H]1N DB03842 [0,2,0,0,0,0|1,0,1]=4 50 B9R1.3 CC1=C(N)C=CC=C1F DB01986 [0,2,0,0,0,0|1,0,0]=3 51 B9R1.3 CC1=CC=CC(O)=C1O DB03454 [0,2,0,0,0,0|0,0,0]=2 52 B9R1.34 ClC1=CC(Cl)=CC(Cl)=C1 DB03836 [0,2,0,0,0,0|1,0,0]=3 53 B9R1.34 NC1=CC(F)=CC(F)=C1 DB03238 [0,2,0,0,0,0|1,0,0]=3 54 B5R1.1 C1=CNC=N1 DB03366 [1,0,0,0,1,0|2,0,0]=4 55 B5R1.1 C1=CNN=C1 DB02757 [1,0,0,0,1,0|2,0,0]=4 56 B5R1.1 C1=C[N-]C=N1 DB03840 [1,0,0,0,1,0|2,0,0]=4