0 B10R1.61 NC1=C(C(=O)O)C=NC=N1 B050277 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.61 NC1=C([N+](=O)[O-])C=NC=C1 B050310 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.61 O=C(O)C1=CC=NC=C1Br B050303 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.61 O=C1NC=CC=C1[N+](=O)[O-] B048851 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.61 O=[N+]([O-])C1=C(Br)C=CC=N1 B050415 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.61 O=[N+]([O-])C1=CC=CN=C1O B050312 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.6 NC(=S)C1=CC=CN=C1 B028584 [1,0,0,0,0,0|2,1,0]=4 7 B9R1.15 COC1=CC=CN=C1O B039509 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.15 NC1=C(C=O)C=NC=C1 B050347 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.15 NC1=NC=CC=C1C=O B049085 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.53 NCC1=CC=CC=C1C(=O)O B049870 [0,1,0,0,0,0|1,0,0]=2 11 B11R1.53 O=C(O)C1=C(CBr)C=CC=C1 B019566 [0,1,0,0,0,0|1,0,0]=2 12 B11R1.156 NC1=C(C(=O)O)C(Cl)=CC=C1 B048630 [0,1,0,0,0,0|1,0,0]=2 13 B11R1.159 CC1=C(C(N)=O)C=CC=C1N B050747 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.159 NC1=C(O)C(C(=O)O)=CC=C1 B048728 [0,1,0,0,0,0|0,0,0]=1 15 B11R1.159 NC1=CC=CC(C(=O)O)=C1N B050432 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.167 O=[N+]([O-])C1=C[N+]([O-])=CC=C1O B049972 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.222 COC(=O)C1=CC=CN=C1S B047304 [0,1,0,0,0,0|1,1,0]=3 18 B11R1.222 NNC(=O)C1=CC=CC=C1N B015275 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.222 N\C(=N/O)C1=CC=CC=C1F B034860 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.222 N\C(=N/O)C1=CC=CN=C1Cl B050332 [0,1,0,0,0,0|3,0,0]=4 21 B11R2.1 NC1=NNC2=C1C=CC=C2 B047143 [0,0,0,1,0,0|3,0,0]=4 22 B11R2.1 OC1=NNC2=C1C=CC=N2 B058963 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.41 CN1N=CC=C1C(=O)O B000141 [0,0,0,0,1,0|3,0,0]=4 24 B9R1.41 NC(=O)C1=C(N)SC=C1 B014696 [0,0,0,0,1,0|3,0,0]=4 25 B9R1.41 NC1=CNN=C1C(=O)O B036422 [0,0,0,0,1,0|3,0,0]=4 26 B9R1.41 NC1=CNN=C1C(=O)O B047686 [0,0,0,0,1,0|3,0,0]=4 27 B9R1.41 NC1=CSN=C1C(=O)O B049586 [0,0,0,0,1,0|3,0,0]=4 28 B9R1.41 NC1=NNC=C1C(=O)O B007340 [0,0,0,0,1,0|3,0,0]=4 29 B9R1.41 O=C(O)C1=NNC=C1Br B006501 [0,0,0,0,1,0|3,0,0]=4 30 B9R1.41 O=C(O)C1=NNC=C1Cl B000131 [0,0,0,0,1,0|3,0,0]=4 31 B9R1.41 O=C(O)C1=NNC=C1I B006484 [0,0,0,0,1,0|3,0,0]=4 32 B11R1.86 NC(=O)NC1=CC=CC=C1Cl B028823 [0,0,0,0,0,1|2,0,0]=3 33 B10R1.13 O=C(O)C1=CC=C(O)N=C1 B049653 [1,1,0,0,0,0|1,0,0]=3 34 B10R1.15 C#CC(=O)C1=CC=CC=C1 B048976 [1,1,0,0,0,0|1,0,0]=3 35 B10R1.15 C\C(=N/O)C1=CC=NC=C1 B006530 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.15 N\C(=N/O)C1=CC=CC=C1 B020566 [1,1,0,0,0,0|1,0,0]=3 37 B10R1.15 N\C(=N/O)C1=CC=NC=C1 B030084 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.15 N\C(=N/O)C1=CN=CC=C1 B030080 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.15 N\C(=N/O)C1=NC=CC=C1 B030083 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.149 COC(=O)C1=C(N)C=CS1 B020093 [0,1,0,0,1,0|2,0,0]=4 41 B10R1.149 COC(=O)C1=C(O)C=CS1 B029631 [0,1,0,0,1,0|1,0,0]=3 42 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 B007490 [0,1,0,0,1,0|2,0,0]=4 43 B12R1.371 NNC(=O)NC1=CC=CC=C1O B028981 [0,1,0,0,0,1|1,0,0]=3 44 B12R1.46 COC1=CC=C(Br)C=C1C(=O)O B025214 [0,2,0,0,0,0|0,0,0]=2 45 B12R1.283 N#CCC1=CC=CC=C1C(=O)O B049422 [0,2,0,0,0,0|1,0,0]=3 46 B12R1.894 CC1=C(Br)C(C(=O)O)=C(N)C=C1 B048602 [0,2,0,0,0,0|1,0,0]=3 47 B12R1.1000 NC1=CC(Cl)=CC(Cl)=C1C(=O)O B049671 [0,2,0,0,0,0|1,0,0]=3 48 B12R1.440 N#CC1=CC=CC([N+](=O)[O-])=C1O B039754 [0,2,0,0,0,0|1,0,1]=4 49 B12R1.440 O=CC1=C(O)C([N+](=O)[O-])=CC=C1 B029850 [0,2,0,0,0,0|1,0,1]=4 50 B12R1.1703 NNC(=O)C1=C(Cl)C=C(Cl)C=C1 B051575 [0,2,0,0,0,0|2,0,0]=4 51 B12R1.354 COC(=O)C1=CC(N)=CC=C1Cl B049214 [0,2,0,0,0,0|1,0,0]=3 52 B12R1.453 COC1=CC(C(=O)O)=C(Cl)C=C1 B037976 [0,2,0,0,0,0|1,0,0]=3 53 B12R2.1081 OC1=NC=NC2=C1C=CC=C2 B047245 [0,1,0,1,0,0|2,0,0]=4 54 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 B050678 [0,1,0,1,0,0|1,0,0]=3 55 B8R1.7 O=C(O)C1=CC=NS1 B049203 [1,0,0,0,1,0|2,0,0]=4 56 B8R1.7 O=C(O)C1=CNN=C1 B015883 [1,0,0,0,1,0|2,0,0]=4 57 B8R1.7 O=C(O)C1=NNC=C1 B000140 [1,0,0,0,1,0|2,0,0]=4 58 B12R1.125 CC1=CC=CC=C1NCC(=O)O B003329 [0,0,0,0,0,2|1,0,0]=3