0 B10R1.66 NC(=O)\C=C\C1=CC=CO1 16902 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.66 O=C(O)C=CC1=CC=CO1 13414 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CO1 16984 [0,0,0,0,0,0|2,0,0]=2 3 B11R2.36 BrC1=CC=C2CC=CC2=C1 19937 [0,0,0,1,0,0|2,0,1]=4 4 B9R1.13 N(C(C)=O)C1=NC=CS1 20692 [0,0,0,0,1,0|2,1,0]=4 5 B11R1.91 C=C(C)\C=C/C1=CC=CC=C1 100560 [0,0,0,0,0,1|2,0,0]=3 6 B11R1.91 C=C(C)\C=C\C1=CC=CC=C1 100556 [0,0,0,0,0,1|2,0,0]=3 7 B11R1.91 CC(C)\C=C/C1=CC=CC=C1 100514 [0,0,0,0,0,1|2,0,1]=4 8 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 12253 [0,0,0,0,0,1|2,0,0]=3 9 B8R0.7 C\C=C\C=C\C=C(C)C 102628 [1,0,1,0,0,0|1,0,1]=4 10 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 17096 [0,1,0,0,0,1|2,0,0]=4 11 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 15283 [0,1,0,0,0,1|2,0,0]=4 12 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 103161 [0,1,0,0,0,1|1,0,0]=3 13 B12R1.27 COC(=O)\C=C\C1=CC=CN=C1 19785 [0,1,0,0,0,1|1,0,0]=3 14 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 544 [0,1,0,0,0,1|2,0,0]=4 15 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 20898 [0,1,0,0,0,1|1,0,1]=4 16 B12R1.107 C\C(N)=C\C(=O)C1=CC=CC=C1 13294 [0,1,0,0,0,1|2,0,0]=4 17 B12R1.125 CC1=C(C=CC(=O)O)C=NC=C1 17150 [0,1,0,0,0,1|2,0,0]=4 18 B12R1.125 NC1=C(\C=C\C(=O)O)C=CC=C1 11093 [0,1,0,0,0,1|2,0,0]=4 19 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 17097 [0,1,0,0,0,1|2,0,0]=4 20 B12R1.108 COC(=O)N(C)CC1=CC=CO1 19630 [0,2,0,0,0,0|1,0,1]=4 21 B12R1.298 N#C\C(=C/C1=CC=CO1)C(=O)O 14935 [0,2,0,0,0,0|1,0,0]=3 22 B12R1.298 N#C\C(=C/C1=CC=CO1)C(N)=O 14933 [0,2,0,0,0,0|1,0,0]=3 23 B10R1.18 CC(=O)CC1=CC=CC=C1 12126 [0,0,1,1,0,0|1,0,1]=4 24 B10R1.18 CC(=O)NC1=CC=CC=C1 20132 [0,0,1,1,0,0|2,0,0]=4 25 B10R1.61 CC1=CC=CC=C1C(=O)Br 16795 [0,0,1,1,0,0|2,0,0]=4 26 B10R1.61 NC(=O)C1=CC=CC=C1F 102470 [0,0,1,1,0,0|2,0,0]=4 27 B10R1.61 NC(=O)C1=CC=CC=C1I 10354 [0,0,1,1,0,0|2,0,0]=4 28 B10R1.61 NC1=CC=CC=C1C(=O)O 22066 [0,0,1,1,0,0|2,0,0]=4 29 B10R1.61 O=C(O)C1=C(Cl)C=CC=C1 101190 [0,0,1,1,0,0|2,0,0]=4 30 B10R1.61 O=C(O)C1=C(O)C=CC=C1 15776 [0,0,1,1,0,0|1,0,0]=3 31 B10R1.61 O=C(O)C1=CC=CC=C1F 100197 [0,0,1,1,0,0|2,0,0]=4 32 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 20069 [0,0,1,1,0,0|2,0,0]=4 33 B10R1.113 NC(=O)C1=CC=CC(F)=C1 102469 [0,0,1,1,0,0|2,0,0]=4 34 B10R1.113 O=C(O)C1=CC(O)=CC=C1 18167 [0,0,1,1,0,0|1,0,0]=3 35 B12R2.24 O=C1C=CC2=CC=CC=C2N1 101464 [0,0,0,1,0,1|2,0,0]=4 36 B8R1.7 NC(=O)C1=CC=CO1 16899 [0,0,0,0,2,0|1,0,0]=3 37 B10R1.17 C=C\C=C\C1=CC=CC=C1 103200 [1,0,0,0,0,1|1,0,1]=4 38 B10R1.17 CC\C=C\C1=CC=CC=C1 102672 [1,0,0,0,0,1|1,0,1]=4 39 B10R1.17 CO\C=C\C1=CC=CC=C1 103085 [1,0,0,0,0,1|2,0,0]=4 40 B12R1.252 CC(C)=C\C=C/C1=CC=CC=C1 100549 [0,0,0,0,0,2|2,0,0]=4 41 B12R1.252 CC(C)=C\C=C/C1=NC=CC=C1 100533 [0,0,0,0,0,2|2,0,0]=4