0 B10R1.13 CC(C)C1=CC=C(N)C=C1 DB02114 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.13 NC1=CC=C(C(=O)O)C=C1 DB02362 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 DB03728 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.13 O=C(O)C1=CC=C(O)C=C1 DB04242 [0,0,0,0,0,0|0,0,0]=0 4 B10R1.13 O=C(O)C1=CC=C([Hg])C=C1 DB03975 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 DB04417 [0,0,0,0,0,0|1,0,1]=2 6 B9R1.1 O=CC1=CC=C(O)C=C1 DB03560 [1,0,0,0,0,0|0,0,0]=1 7 B9R1.1 OCC1=CC=C(Br)C=C1 DB02822 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.1 [NH3+]CC1=CC=C(F)C=C1 DB03243 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.6 CC(=O)C1=CC=CC=C1 DB04619 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.6 C[C@@H](O)C1=CC=CC=C1 DB04784 [1,0,0,0,0,0|1,0,1]=3 11 B9R1.6 NC(=[NH2+])C1=CC=CC=C1 DB03127 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.6 O=[S@](O)C1=CC=CC=C1 DB03848 [1,0,0,0,0,0|1,0,0]=2 13 B9R1.6 OB(O)C1=CC=CC=C1 DB01795 [1,0,0,0,0,0|1,0,1]=3 14 B11R1.3 COC1=CC=C(C(=O)O)C=C1 DB02795 [0,1,0,0,0,0|0,0,0]=1 15 B11R1.3 COC1=CC=C([SH](=O)=O)C=C1 DB03033 [0,1,0,0,0,0|1,0,1]=3 16 B11R1.3 N=C(N)C1=CC=C(CO)C=C1 DB02585 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.3 O=C(O)C1=CC=C([Hg]O)C=C1 DB01671 [0,1,0,0,0,0|0,0,0]=1 18 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 DB03120 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.19 NC1=CC=C([As](=O)(O)O)C=C1 DB03006 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.19 NS(=O)(=O)C1=CC=C(F)C=C1 DB01784 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.19 O=S(=O)(O)C1=CC=C([Hg])C=C1 DB02983 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.19 OC1=CC=C(C(F)(F)F)C=C1 DB03610 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 DB03946 [0,1,0,0,0,0|0,0,0]=1 24 B11R1.21 O=[N+]([O-])C1=CC=C(O)C(O)=C1 DB03407 [0,1,0,0,0,0|1,0,1]=3 25 B11R1.22 N#C[C@@H](O)C1=CC=C(O)C=C1 DB03430 [0,1,0,0,0,0|1,0,1]=3 26 B11R1.166 O=C(O)C1=C(O)C=C(O)C=C1 DB02839 [0,1,0,0,0,0|0,0,0]=1 27 B8R1.2 NCC1=CC=CC=C1 DB02464 [2,0,0,0,0,0|1,0,1]=4 28 B8R1.2 OCC1=CC=CN=C1 DB04145 [2,0,0,0,0,0|1,0,1]=4 29 B8R1.3 CC1=CC=C(O)C=C1 DB01688 [2,0,0,0,0,0|0,0,1]=3 30 B8R1.3 NC1=CC=C(N)C=C1 DB14141 [2,0,0,0,0,0|2,0,0]=4 31 B8R1.3 NC1=CC=C(O)C=C1 DB14144 [2,0,0,0,0,0|1,0,0]=3 32 B8R1.3 OC1=CC=C(I)C=C1 DB03002 [2,0,0,0,0,0|1,0,0]=3 33 B10R1.1 OCCC1=CC=C(F)C=C1 DB03669 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.25 OCC1=CC=C(F)C=C1F DB04448 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.176 O=C1C=C(CO)OC=C1O DB01759 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 DB04737 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.15 O=C(NO)C1=CC=CC=C1 DB01924 [1,1,0,0,0,0|0,0,0]=2 38 B10R1.61 NC1=CC=CC=C1C(=O)O DB04166 [1,1,0,0,0,0|0,0,0]=2 39 B10R1.61 O=C(O)C1=C(S)C=CC=C1 DB14026 [1,1,0,0,0,0|0,0,0]=2 40 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 DB01854 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.113 NC1=CC=CC(B(O)O)=C1 DB01896 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.113 NC1=CC=CC(C(=O)O)=C1 DB02054 [1,1,0,0,0,0|0,0,0]=2 43 B12R1.4 COC1=CC=C(CC(N)=O)C=C1 DB08767 [0,1,0,0,0,1|1,0,0]=3 44 B12R1.4 N=C(N)NC1=CC=C(CO)C=C1 DB06900 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 DB01702 [0,1,0,0,0,1|0,0,0]=2 46 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 DB02601 [0,1,0,0,0,1|0,0,0]=2 47 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 DB04291 [0,1,0,0,0,1|0,0,0]=2 48 B12R1.20 [C@@H](O)(C(=O)O)C1=CC=C(O)C=C1 DB07896 [0,1,0,0,0,1|0,0,0]=2 49 B12R1.20 [C@H](N)(C(=O)O)C1=CC=C(O)C=C1 DB04308 [0,1,0,0,0,1|0,0,0]=2 50 B12R1.49 N=C(NO)NC1=CC=C(Cl)C=C1 DB04559 [0,1,0,0,0,1|2,0,0]=4 51 B12R1.49 [C@@H](N)(C=O)CC1=CC=C(O)C=C1 DB03978 [0,1,0,0,0,1|1,0,1]=4 52 B12R1.256 CN(C)C1=CC=C(C(=O)O)C=C1 DB08748 [0,2,0,0,0,0|1,0,0]=3 53 B12R1.256 O=C(O)C1=CC=C(B(O)O)C=C1 DB03140 [0,2,0,0,0,0|0,0,0]=2 54 B12R1.56 COC1=CC(C(=O)[O-])=CC=C1O DB02130 [0,2,0,0,0,0|0,0,1]=3 55 B12R1.893 NC1=C(C(=O)O)C=CC(Cl)=C1O DB04598 [0,2,0,0,0,0|1,0,0]=3 56 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 DB09203 [0,2,0,0,0,0|1,0,1]=4 57 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 DB04499 [1,0,0,1,0,0|1,0,1]=4 58 B12R2.606 N=C1NC2=C(C=C(O)C=C2)N1 DB03729 [0,0,0,1,0,1|2,0,0]=4 59 B8R0.23 C\C(=C\C(=O)O)C(=O)O DB04734 [0,0,1,0,1,0|1,0,1]=4 60 B8R1.7 O=C(O)C1=CC=CN1 DB02543 [1,0,0,0,1,0|1,0,0]=3 61 B8R1.7 O=C(O)C1=CSC=N1 DB03422 [1,0,0,0,1,0|2,0,0]=4 62 B10R1.18 NC(=S)NC1=CC=CC=C1 DB03694 [1,0,0,0,0,1|1,1,0]=4 63 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 DB03400 [0,0,0,0,0,2|1,0,0]=3 64 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 DB03210 [0,0,0,0,0,2|1,0,0]=3 65 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 DB03897 [0,0,0,0,0,2|0,0,0]=2 66 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 DB04066 [0,0,0,0,0,2|0,0,0]=2