0 B11R1.53 NCC1=CC=CC=C1C(=O)O B049870 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.53 O=C(O)C1=C(CBr)C=CC=C1 B019566 [0,0,0,0,0,0|4,0,0]=4 2 B12R2.2028 O=C1OC(=O)C2=NC=CN=C12 B049423 [0,0,0,1,0,0|2,0,1]=4 3 B10R1.39 CCC1=CC=NN1C(C)C B038136 [0,0,0,0,1,0|2,0,1]=4 4 B10R1.39 CCN1N=CC=C1C(=O)Cl B011495 [0,0,0,0,1,0|2,0,0]=3 5 B10R1.39 CCN1N=CC=C1C(=O)O B000138 [0,0,0,0,1,0|2,0,0]=3 6 B10R1.39 CCN1N=CC=C1C(C)=O B016266 [0,0,0,0,1,0|1,0,0]=2 7 B10R1.39 CCN1N=CC=C1C(C)N B019557 [0,0,0,0,1,0|2,0,1]=4 8 B10R1.39 CCN1N=CC=C1C(N)=O B062240 [0,0,0,0,1,0|2,0,0]=3 9 B10R1.39 CCN1N=CC=C1[N+](=O)[O-] B035657 [0,0,0,0,1,0|3,0,0]=4 10 B9R1.15 CC1=C(CBr)N=CC=C1 B016007 [2,0,0,0,0,0|2,0,0]=4 11 B9R1.15 CC1=C(CBr)N=CC=C1 B062311 [2,0,0,0,0,0|2,0,0]=4 12 B9R1.15 NC1=NC=CC=C1C=O B049085 [2,0,0,0,0,0|2,0,0]=4 13 B11R1.222 COC(=O)C1=CC=CN=C1S B047304 [1,1,0,0,0,0|2,0,0]=4 14 B11R1.49 CCN1N=C(C)C=C1C(=O)O B035887 [0,1,0,0,1,0|2,0,0]=4 15 B11R1.49 CCN1N=C(N)C=C1C(=O)O B024384 [0,1,0,0,1,0|2,0,0]=4 16 B11R1.49 CCN1N=C(N)C=C1C(=O)O B037121 [0,1,0,0,1,0|2,0,0]=4 17 B11R1.59 CCN1N=CC=C1C(=O)NN B015403 [0,1,0,0,1,0|2,0,0]=4 18 B11R1.59 CCN1N=CC=C1C(=O)OC B047140 [0,1,0,0,1,0|1,0,0]=3 19 B11R1.59 CCN1N=CC=C1\C(C)=N\O B059035 [0,1,0,0,1,0|1,0,1]=4 20 B11R1.59 COC(=O)C1=CC=NN1CCl B018625 [0,1,0,0,1,0|2,0,0]=4 21 B11R1.178 CC(=O)C1=CC=NN1C(F)F B059025 [0,1,0,0,1,0|2,0,0]=4 22 B11R1.178 CC(C)N1N=CC=C1C(=O)Cl B047528 [0,1,0,0,1,0|2,0,0]=4 23 B11R1.178 CC(C)N1N=CC=C1C(=O)O B024333 [0,1,0,0,1,0|2,0,0]=4 24 B11R1.178 CC(C)N1N=CC=C1C(N)=O B061568 [0,1,0,0,1,0|2,0,0]=4 25 B11R1.178 CC(C)N1N=CN=C1C(=O)O B051938 [0,1,0,0,1,0|2,0,0]=4 26 B11R1.193 CCCN1N=CC=C1C(=O)O B021139 [0,1,0,0,1,0|2,0,0]=4 27 B11R1.193 CCCN1N=CC=C1C(N)=O B062241 [0,1,0,0,1,0|2,0,0]=4 28 B11R1.193 O=C(O)C1=CC=NN1CCF B051542 [0,1,0,0,1,0|2,0,0]=4 29 B11R1.471 CCN1N=CC(Br)=C1C(=O)Cl B011503 [0,1,0,0,1,0|2,0,0]=4 30 B11R1.471 CCN1N=CC(Br)=C1C(=O)O B000150 [0,1,0,0,1,0|2,0,0]=4 31 B11R1.471 CCN1N=CC(Br)=C1C(C)=O B017924 [0,1,0,0,1,0|1,0,0]=3 32 B11R1.471 CCN1N=CC(C)=C1C(=O)O B052574 [0,1,0,0,1,0|2,0,0]=4 33 B11R1.471 CCN1N=CC(Cl)=C1C(=O)Cl B011505 [0,1,0,0,1,0|2,0,0]=4 34 B11R1.471 CCN1N=CC(Cl)=C1C(=O)O B000152 [0,1,0,0,1,0|2,0,0]=4 35 B11R1.471 CCN1N=CC(Cl)=C1C(C)=O B017923 [0,1,0,0,1,0|1,0,0]=3 36 B11R1.471 CCN1N=CC(I)=C1C(=O)O B047803 [0,1,0,0,1,0|2,0,0]=4 37 B11R1.471 CCN1N=CC(I)=C1C(C)=O B047782 [0,1,0,0,1,0|1,0,0]=3 38 B11R1.471 CCN1N=CC(N)=C1C(N)=O B014412 [0,1,0,0,1,0|2,0,0]=4 39 B13R1.141 CCOC1=NC=C(Cl)C=C1C(=O)O B049850 [0,2,0,0,0,0|2,0,0]=4 40 B11R1.57 CCC1=NC=CN1CC(C)=O B039443 [0,0,1,1,0,0|0,0,2]=4 41 B13R2.5179 NC1=NC=C2C(=O)CCCC2=N1 B048943 [0,1,0,1,0,0|2,0,0]=4 42 B9R1.14 C(=O)C1=NC=NN1CC B052022 [1,0,0,0,1,0|1,0,0]=3 43 B9R1.14 CCC1=CC=NN1CC B036770 [1,0,0,0,1,0|1,0,1]=4 44 B9R1.14 CCN1C=CN=C1C=O B046407 [1,0,0,0,1,0|1,0,0]=3 45 B9R1.14 CCN1N=CC=C1C=O B007399 [1,0,0,0,1,0|1,0,0]=3 46 B9R1.41 CC(=O)C1=CC=NN1C B017805 [1,0,0,0,1,0|1,0,0]=3 47 B9R1.41 CC(=O)C1=NON=C1C B048952 [1,0,0,0,1,0|1,0,0]=3 48 B9R1.41 CC1=NNN=C1C(=O)O B017733 [1,0,0,0,1,0|2,0,0]=4 49 B9R1.41 CC1=NON=C1C(=O)O B036267 [1,0,0,0,1,0|2,0,0]=4 50 B9R1.41 CC1=NON=C1C(N)=O B049486 [1,0,0,0,1,0|2,0,0]=4 51 B9R1.41 CN1N=CC=C1C(=O)Cl B006621 [1,0,0,0,1,0|2,0,0]=4 52 B9R1.41 CN1N=CC=C1C(=O)O B000141 [1,0,0,0,1,0|2,0,0]=4 53 B9R1.41 CN1N=CC=C1C(N)=O B020779 [1,0,0,0,1,0|2,0,0]=4