0 B9R0.55 O=C(O)\C=C\C=C\C(O)=O M10190197P [0,0,0,0,0,0|0,0,0]=0 1 B10R1.113 CC(C1=CC=CC(C)=C1)=O M10014836P [0,0,0,1,0,0|3,0,0]=4 2 B10R1.113 CC(C1=NC(Br)=CC=C1)=O M10252765P [0,0,0,1,0,0|3,0,0]=4 3 B10R1.113 C[N+]1=CC=CC(C(O)=O)=C1 M12025971P [0,0,0,1,0,0|3,0,0]=4 4 B10R1.113 O=C(C1=CC(C=CO1)=O)O M10012370P [0,0,0,1,0,0|2,0,0]=3 5 B10R1.113 O=C(C1=CC=NC(N1)=O)O M10568203P [0,0,0,1,0,0|2,0,0]=3 6 B10R1.113 O=C(C1=NC(Br)=CN=C1)O M11111177P [0,0,0,1,0,0|3,0,0]=4 7 B10R1.113 O=C(C1=NC(C)=NC=C1)O M10125363P [0,0,0,1,0,0|3,0,0]=4 8 B10R1.113 O=C(N)C1=CC=CC(Br)=C1 M10176489P [0,0,0,1,0,0|3,0,0]=4 9 B10R1.113 O=C(N)C1=CC=CC(Cl)=C1 M10016342P [0,0,0,1,0,0|3,0,0]=4 10 B10R1.113 O=C(O)C1=CC=NC(C)=C1 M10059321P [0,0,0,1,0,0|3,0,0]=4 11 B10R1.113 O=C(O)C1=CC=NC(O)=C1 M10797921P [0,0,0,1,0,0|2,0,0]=3 12 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 M10211326P [0,0,0,1,0,0|3,0,0]=4 13 B10R1.113 O=C(O)C1=NC=CC(N)=C1 M10128608P [0,0,0,1,0,0|3,0,0]=4 14 B8R0.28 O=C(O)COCC(O)=O M10003764P [0,0,0,0,1,0|1,0,2]=4 15 B9R1.2 O=CC1=CC=CC(O)=C1 M10002850P [1,0,0,1,0,0|1,0,0]=3 16 B9R1.2 O=CC1=CC=NC(O)=C1 M10816706P [1,0,0,1,0,0|2,0,0]=4 17 B9R1.2 O=CC1=NC(Cl)=CC=C1 M10274552P [1,0,0,1,0,0|2,0,0]=4 18 B9R1.6 O=C([O-])C1=CC=CC=C1 M10194531P [1,0,0,1,0,0|1,0,1]=4 19 B9R1.6 O=C([O-])C1=NC=CC=C1 M10138174P [1,0,0,1,0,0|1,0,1]=4 20 B9R1.6 O=C([O-])C1=NC=CC=C1 M10152479P [1,0,0,1,0,0|1,0,1]=4 21 B9R1.6 O=P(C1=CC=CC=C1)O M10036149P [1,0,0,1,0,0|2,0,0]=4 22 B9R1.6 O=S(C1=CC=CC=C1)O M10016337P [1,0,0,1,0,0|2,0,0]=4 23 B9R1.6 OC(C1=CC=CC=C1)=S M10002682P [1,0,0,1,0,0|1,1,0]=4 24 B9R1.41 O=C(C1=C(Br)SC=C1)O M10184016P [1,0,0,1,0,0|2,0,0]=4 25 B9R1.41 O=C(C1=C(C)NC=C1)O M10232587P [1,0,0,1,0,0|2,0,0]=4 26 B9R1.41 O=C(C1=C(F)C=CS1)O M10217169P [1,0,0,1,0,0|2,0,0]=4 27 B9R1.35 O=C(C1=CC=C(Br)N1)O M10202057P [0,0,0,1,1,0|2,0,0]=4 28 B9R1.35 O=C(C1=CC=C(C)O1)O M10037928P [0,0,0,1,1,0|1,0,0]=3 29 B9R1.35 O=C(C1=CC=C(F)S1)O M10062552P [0,0,0,1,1,0|1,1,0]=4 30 B11R1.157 O=C(O)CC1=CC=CC(C)=C1 M10016514P [0,0,0,1,0,1|2,0,0]=4 31 B11R1.157 O=C(O)CC1=NC(C)=CC=C1 M10612315P [0,0,0,1,0,1|2,0,0]=4 32 B11R1.178 O=C(C1=C(B(O)O)C=CS1)O M10077121P [0,0,0,1,0,1|1,0,1]=4 33 B11R1.178 O=C(C1=C(C(O)=O)CCC1)O M10051385P [0,0,0,1,0,1|0,0,2]=4 34 B11R1.23 O=C(C1=NC(I)=CC=C1)OC M10998655P [0,1,0,1,0,0|2,0,0]=4 35 B11R1.23 O=C(OC)C1=CC=CC(Cl)=C1 M10048910P [0,1,0,1,0,0|2,0,0]=4 36 B11R1.23 O=C(OC)C1=CC=CC(I)=C1 M10016366P [0,1,0,1,0,0|2,0,0]=4 37 B11R1.23 O=C(OO)C1=CC=CC(Cl)=C1 M10023683P [0,1,0,1,0,0|2,0,0]=4 38 B11R1.23 OC1=CC(C(CBr)=O)=CC=C1 M10044570P [0,1,0,1,0,0|2,0,0]=4 39 B11R1.159 CC(C1=CC=CC(N)=C1O)=O M10588286P [0,1,0,1,0,0|2,0,0]=4 40 B11R1.159 CC(C1=CC=CC(O)=C1O)=O M10124289P [0,1,0,1,0,0|1,0,1]=4 41 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1I M10716849P [0,1,0,1,0,0|2,0,0]=4 42 B11R1.159 O=C(O)C1=CC=CC(I)=C1C M10736428P [0,1,0,1,0,0|2,0,0]=4 43 B11R1.159 O=C(O)C1=CC=CC(I)=C1N M10167391P [0,1,0,1,0,0|2,0,0]=4 44 B11R1.159 O=C(O)C1=CC=CC(N)=C1N M10015537P [0,1,0,1,0,0|2,0,0]=4 45 B11R1.159 O=C(O)C1=CN=CC(Br)=C1O M10097255P [0,1,0,1,0,0|2,0,0]=4 46 B11R1.266 O=C(C1=NC=CC(OC)=N1)O M10113472P [0,1,0,1,0,0|2,0,0]=4 47 B11R1.266 O=C(O)C1=CC=CC(CN)=C1 M10022406P [0,1,0,1,0,0|2,0,0]=4 48 B11R1.266 O=C(O)C1=CC=CC(CN)=C1 M10043304P [0,1,0,1,0,0|2,0,0]=4 49 B11R1.266 O=C(O)C1=CC=NC(CO)=C1 M10034865P [0,1,0,1,0,0|2,0,0]=4 50 B11R1.266 O=C(O)C1=CN=CC(OC)=C1 M10167594P [0,1,0,1,0,0|2,0,0]=4 51 B11R1.74 O=C(O)C1=CC(C)=CC(Cl)=C1 M10291720P [0,1,0,1,0,0|2,0,0]=4 52 B11R1.74 O=C(O)C1=CC(C)=CC(N)=C1 M10042353P [0,1,0,1,0,0|2,0,0]=4 53 B11R1.74 O=C(O)C1=CC(Cl)=CC(Br)=C1 M10249809P [0,1,0,1,0,0|2,0,0]=4 54 B11R1.74 O=C(O)C1=CC(O)=CC(Br)=C1 M10752792P [0,1,0,1,0,0|1,0,0]=3 55 B11R1.74 O=C(O)C1=CC(O)=CC(F)=C1 M11004453P [0,1,0,1,0,0|1,0,0]=3 56 B11R1.74 O=C(O)C1=CC(O)=CC(O)=C1 M10002697P [0,1,0,1,0,0|1,0,0]=3 57 B11R1.74 O=C(O)C1=NC(Cl)=CC(C)=C1 M10858491P [0,1,0,1,0,0|2,0,0]=4 58 B11R1.74 O=C(O)C1=NC(Cl)=CC(Cl)=C1 M10550308P [0,1,0,1,0,0|2,0,0]=4 59 B11R1.74 O=C1NC(C=C(N1)C(O)=O)=O M10256492P [0,1,0,1,0,0|2,0,0]=4 60 B11R1.167 O=C(O)C1=C(Cl)N=CC(O)=C1 M10250128P [0,1,0,1,0,0|2,0,0]=4 61 B11R1.167 O=C(O)C1=CC(C)=CC=C1Cl M10090728P [0,1,0,1,0,0|2,0,0]=4 62 B11R1.167 O=C(O)C1=CC(C)=CC=C1I M10265765P [0,1,0,1,0,0|2,0,0]=4 63 B11R1.167 O=C(O)C1=CC(F)=CC=C1I M10265769P [0,1,0,1,0,0|2,0,0]=4 64 B11R1.167 O=C(O)C1=CC(N)=CC=C1Br M10048175P [0,1,0,1,0,0|2,0,0]=4 65 B11R1.167 O=C(O)C1=CC(N)=CC=C1N M10015883P [0,1,0,1,0,0|2,0,0]=4 66 B11R1.167 O=C(O)C1=CC(O)=CC=C1C M10014599P [0,1,0,1,0,0|1,0,0]=3 67 B11R1.167 O=C(O)C1=CC(O)=CC=C1Cl M10291718P [0,1,0,1,0,0|1,0,0]=3 68 B11R1.167 O=C(O)C1=NC(Br)=CC=C1F M11097342P [0,1,0,1,0,0|2,0,0]=4 69 B11R1.167 O=C(O)C1=NC(C)=CC=C1O M10129197P [0,1,0,1,0,0|2,0,0]=4 70 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1C M11111913P [0,1,0,1,0,0|2,0,0]=4 71 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1N M10007549P [0,1,0,1,0,0|2,0,0]=4 72 B11R1.21 O=C(C=1C=CN(C)C(C1)=O)O M10222253P [0,1,0,1,0,0|2,0,0]=4 73 B11R1.21 O=C(O)C1=CC=C(Br)C(Cl)=C1 M10187883P [0,1,0,1,0,0|2,0,0]=4 74 B11R1.21 O=C(O)C1=CC=C(Cl)C(I)=C1 M10249810P [0,1,0,1,0,0|2,0,0]=4 75 B11R1.21 O=C(O)C1=CC=C(O)C(Br)=C1 M10130546P [0,1,0,1,0,0|2,0,0]=4 76 B11R1.21 O=C(O)C1=CC=C(O)C(Cl)=C1 M10058900P [0,1,0,1,0,0|2,0,0]=4 77 B11R1.21 O=C(O)C1=CC=C(O)C(N)=C1 M10032928P [0,1,0,1,0,0|2,0,0]=4 78 B11R1.21 O=C(O)C1=NC(Cl)=C(Cl)C=C1 M10550307P [0,1,0,1,0,0|2,0,0]=4 79 B11R1.21 O=C(O)C1=NC(O)=C(Br)C=C1 M11115050P [0,1,0,1,0,0|1,0,0]=3 80 B11R1.175 O=C(C1=CC=C(B(O)O)O1)O M11000818P [0,1,0,1,0,0|1,0,1]=4 81 B11R1.175 O=C(C1=NNC(C(O)=O)=C1)O M10854850P [0,1,0,1,0,0|2,0,0]=4 82 B7R0.6 O=C(O)\C=C/C(N)=O M10014102P [0,0,0,0,2,0|1,0,0]=3 83 B7R0.6 O=C(O)\C=C/C([O-])=O M10251006P [0,0,0,0,2,0|0,0,1]=3 84 B7R0.6 O=C([O-])\C=C/C(O)=O M10018448P [0,0,0,0,2,0|0,0,1]=3 85 B11R0.30 O=C(O)CC\C=C\CCC(O)=O M10252304P [0,0,0,0,0,2|0,0,2]=4