0 B10R1.61 CC1=C(B(O)O)C=CC=N1 BA327-1 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.61 NC1=C(B(O)O)C=NC=C1 BA584-1 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.61 NC1=CN=CC=C1B(O)O BA2007-1 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.61 NC1=NC=CC=C1B(O)O BA538-1 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.61 OB(O)C1=C(Cl)C=CN=C1 BA596-1 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.61 OB(O)C1=C(F)N=CC=C1 BA322-1 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.61 OB(O)C1=C(O)N=CC=C1 BA560-1 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.61 OB(O)C1=CC=NC=C1Cl BA619-1 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.15 NC1=CN=CC=C1C=O HB087-1 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.53 COC1=C(B(O)O)C=CC=N1 BA558-1 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.53 COC1=C(B(O)O)C=NC=C1 BA592-1 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.53 COC1=CC=NC=C1B(O)O BA593-1 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.53 COC1=CN=CC=C1B(O)O BA624-1 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.53 COC1=NC=CC=C1[N+](=O)[O-] HB015-1 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.156 CC1=CC=CC(O)=C1[C@H](C)N RC810-1 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.159 O=[N+]([O-])C1=C(O)C(Cl)=CN=C1 HB646-1 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.159 O=[N+]([O-])C1=C(O)C(I)=CN=C1 HB645-1 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.166 CC(=O)C1=NC=C(Br)C=C1F HB302-1 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.166 C[C@@H](O)C1=CC=C(F)C=C1Cl RC628-1 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.166 NC(=O)C1=NC=C(Br)C=C1N HB300-1 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.166 NC1=CC(Br)=CN=C1C(=O)O HB301-1 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.166 O=C(O)C1=CC=C(Br)N=C1Cl HB572-1 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.166 O=C(O)C1=NC=C(Br)C=C1F HB303-1 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.167 CC(=O)C1=CC(Br)=CN=C1Cl HB508-1 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.167 CC(=O)C1=CC(C)=CN=C1Cl HB476-1 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.167 CC(=O)C1=CC(F)=CN=C1Cl HB500-1 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.167 CC1=CC=C(Cl)N=C1C(=O)O HB535-1 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.167 CC1=CN=C(Cl)C(C(=O)O)=C1 HB478-1 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.167 CC1=CN=C(N)C(C(=O)O)=C1 HB477-1 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.167 NC1=NC=C(F)C=C1C(=O)O HB293-1 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1Cl HB333-1 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.167 O=C(O)C1=CC(F)=CN=C1Cl HB369-1 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.167 O=[N+]([O-])C1=CC(Br)=CN=C1O HB459-1 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.167 O=[N+]([O-])C1=CC(Cl)=CN=C1O HB386-1 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.167 O=[N+]([O-])C1=CC(I)=CN=C1O HB385-1 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.167 OB(O)C1=CC(Cl)=NC=C1O BA2052-1 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.86 CC(=O)NC1=C(O)C=CN=C1 HB095-1 [0,0,0,0,0,1|2,0,0]=3 37 B11R1.86 CC(=O)NC1=C(O)C=NC=C1 HB094-1 [0,0,0,0,0,1|2,0,0]=3 38 B11R1.86 CC(=O)NC1=CC=CN=C1O HB023-1 [0,0,0,0,0,1|2,0,0]=3 39 B11R1.86 CC(=O)NC1=NC=CC=C1O HB021-1 [0,0,0,0,0,1|2,0,0]=3 40 B8R1.5 OC1=C(Cl)C=CN=C1 HB090-1 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.5 OC1=C(I)C=NC=C1 HB088-1 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.5 OC1=CC=CN=C1I HB016-1 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 HB040-1 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.113 O=C(O)C1=NC(I)=CC=C1 HB069-1 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.4 O\N=C\C1=C(Cl)C=CN=C1 HB092-1 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.25 O=CC1=CC=C(Br)N=C1Cl HB565-1 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.30 CC1=C(C=O)N=C(Cl)C=C1 HB534-1 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.30 CC1=CN=C(Cl)C(C=O)=C1 HB479-1 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.30 CC1=CN=C(N)C(C=O)=C1 HB474-1 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.30 NC1=NC=C(Br)C=C1C=O HB346-1 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.30 NC1=NC=C(F)C=C1C=O HB367-1 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.30 O=CC1=CC(Br)=CN=C1Cl HB370-1 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.30 O=CC1=CC(Cl)=CN=C1Cl HB334-1 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.30 O=CC1=CC(F)=CN=C1Cl HB368-1 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.124 O=C(O)[C@H](O)C1=C(F)C=CC=C1 RC483-1 [0,1,0,0,0,1|1,0,0]=3 56 B12R1.127 CC(=O)NC1=CC(I)=CN=C1O HB456-1 [0,1,0,0,0,1|2,0,0]=4 57 B12R1.224 CC(=O)NC1=C(O)C(I)=CN=C1 HB687-1 [0,1,0,0,0,1|2,0,0]=4 58 B12R1.224 CC(=O)NC1=C(O)C(I)=NC=C1 HB277-1 [0,1,0,0,0,1|2,0,0]=4 59 B12R1.371 O=C(CCl)NC1=C(O)C=CN=C1 HB096-1 [0,1,0,0,0,1|2,0,0]=4 60 B12R1.371 O=C(CCl)NC1=CC=CN=C1O HB024-1 [0,1,0,0,0,1|2,0,0]=4 61 B12R1.46 COC1=NC=C(C)C=C1C(=O)O HB496-1 [0,2,0,0,0,0|1,0,0]=3 62 B12R1.46 COC1=NC=C(C)C=C1C(C)=O HB488-1 [0,2,0,0,0,0|2,0,0]=4 63 B12R1.57 COC1=CC(Br)=CN=C1C(=O)O HB425-1 [0,2,0,0,0,0|1,0,0]=3 64 B12R1.77 COC1=C([C@@H](O)CBr)C=CC=C1 RC633-1 [0,2,0,0,0,0|1,0,1]=4 65 B12R1.437 COC1=CN=CC(N)=C1C(=O)O HB659-1 [0,2,0,0,0,0|1,0,0]=3 66 B12R1.893 O=C(O)C1=CC=C(Cl)[C@H](O)[C@@H]1O RC512-1 [0,2,0,0,0,0|0,0,2]=4 67 B12R1.893 O=C(O)C1=CC=C(I)[C@H](O)[C@@H]1O RC513-1 [0,2,0,0,0,0|0,0,2]=4 68 B12R1.452 COC1=CC=C(C(=O)O)C(Cl)=N1 HB590-1 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.1703 COC(=O)C1=CC=C(Br)N=C1Cl HB582-1 [0,2,0,0,0,0|2,0,0]=4 70 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1F HB305-1 [0,2,0,0,0,0|2,0,0]=4 71 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1N HB306-1 [0,2,0,0,0,0|2,0,0]=4 72 B12R1.354 COC(=O)C1=CC(C)=CN=C1Cl HB492-1 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.354 COC(=O)C1=CC(F)=CN=C1Cl HB379-1 [0,2,0,0,0,0|2,0,0]=4 74 B12R2.24 O=C1COC2=CC=CN=C2N1 HC444-1 [0,0,0,1,0,1|2,0,0]=4 75 B12R2.24 O=C1COC2=CC=NC=C2N1 HC445-1 [0,0,0,1,0,1|2,0,0]=4 76 B12R2.24 O=C1COC2=NC=CC=C2N1 HC446-1 [0,0,0,1,0,1|2,0,0]=4