0 B10R1.13 O=C(O)C1=CC=C(O)N=C1 B049653 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.1 NCC1=CC=C(N)C=C1 B049905 [1,0,0,0,0,0|2,0,1]=4 2 B9R1.1 NCC1=CC=C(O)C=C1 B039583 [1,0,0,0,0,0|1,0,1]=3 3 B9R1.6 NC(=S)C1=CC=CN=C1 B028584 [1,0,0,0,0,0|2,1,0]=4 4 B11R1.3 COC1=CC=C(C(C)N)C=C1 B006177 [0,1,0,0,0,0|2,0,1]=4 5 B11R1.3 COC1=CC=C(C(C)N)C=C1 B047210 [0,1,0,0,0,0|2,0,1]=4 6 B11R1.3 COC1=NC=C(C(=O)O)C=C1 B049007 [0,1,0,0,0,0|1,0,0]=2 7 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 B039656 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.21 CN1C=C(C(=O)O)C=CC1=O B039490 [0,1,0,0,0,0|1,0,1]=3 9 B11R1.21 O=[N+]([O-])C1=CC(Br)=C(O)N=C1 B049941 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.22 CC1=CC=C(\C(N)=N\O)C=C1 B022751 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.22 COC(=O)C1=NC=C(O)N=C1 B050274 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 B022963 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.22 N\C(=N\O)C1=CC=C(F)C=C1 B030589 [0,1,0,0,0,0|2,0,0]=3 14 B9R1.35 CC(=O)C1=CC(Br)=CS1 B020506 [0,0,0,0,1,0|3,0,0]=4 15 B9R1.35 CC(=O)C1=CC=C(F)S1 B046183 [0,0,0,0,1,0|3,0,0]=4 16 B9R1.35 CC1=CC(C(=O)O)=CS1 B007488 [0,0,0,0,1,0|2,0,0]=3 17 B9R1.35 CC1=CC(C(=O)O)=NN1 B000144 [0,0,0,0,1,0|3,0,0]=4 18 B9R1.35 CC1=CC(C(=O)O)=NO1 B007473 [0,0,0,0,1,0|3,0,0]=4 19 B9R1.35 CC1=NOC(C(=O)O)=C1 B028540 [0,0,0,0,1,0|3,0,0]=4 20 B9R1.35 CN1C=C(C(=O)O)C=N1 B000227 [0,0,0,0,1,0|3,0,0]=4 21 B9R1.35 CN1C=CC(C(=O)O)=N1 B000139 [0,0,0,0,1,0|3,0,0]=4 22 B9R1.35 CN1C=NC(C(=O)O)=C1 B049879 [0,0,0,0,1,0|3,0,0]=4 23 B9R1.35 NC(=O)C1=CC=C(F)S1 B051305 [0,0,0,0,1,0|3,0,0]=4 24 B9R1.35 NC1=NNC(C(=O)O)=C1 B007338 [0,0,0,0,1,0|3,0,0]=4 25 B9R1.35 NC1=NNC(C(=O)O)=C1 B015878 [0,0,0,0,1,0|3,0,0]=4 26 B9R1.35 O=C(Cl)C1=CC=C(F)S1 B051304 [0,0,0,0,1,0|3,0,0]=4 27 B9R1.35 O=C(O)C1=CC(Br)=CS1 B013954 [0,0,0,0,1,0|2,0,0]=3 28 B9R1.35 O=C(O)C1=CC=C(F)S1 B029946 [0,0,0,0,1,0|2,0,0]=3 29 B9R1.35 O=C1C=C(C(=O)O)NN1 B050600 [0,0,0,0,1,0|2,0,1]=4 30 B10R1.1 CC1=CC=C(CON)C=C1 B018552 [1,1,0,0,0,0|1,0,1]=4 31 B10R1.1 CNCC1=CC=C(O)C=C1 B039566 [1,1,0,0,0,0|1,0,1]=4 32 B10R1.3 COC1=CC=C(NN)C=C1 B048983 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.176 CCC1=CC=C(O)C(N)=C1 B037973 [1,1,0,0,0,0|1,0,1]=4 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 B10R1.61 NC1=C(C(=O)O)C=NC=N1 B050277 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.61 O=C(O)C1=CC=NC=C1Br B050303 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.14 COC(=O)C1=CC=C(F)S1 B052513 [0,1,0,0,1,0|2,0,0]=4 43 B10R1.31 CC(=O)C1=CC(CO)=CS1 B050197 [0,1,0,0,1,0|2,0,0]=4 44 B10R1.31 CCC1=CC=C(C(=O)O)S1 B000094 [0,1,0,0,1,0|2,0,0]=4 45 B10R1.31 COC1=NC=C(C(=O)O)S1 B059784 [0,1,0,0,1,0|2,0,0]=4 46 B10R1.31 O=C(O)C1=NN(CO)C=C1 B020581 [0,1,0,0,1,0|2,0,0]=4 47 B10R1.31 O=C(O)C1=NOC(CO)=C1 B050339 [0,1,0,0,1,0|2,0,0]=4 48 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 B029947 [0,1,0,0,1,0|2,0,0]=4 49 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 B013955 [0,1,0,0,1,0|2,0,0]=4 50 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 B007490 [0,1,0,0,1,0|2,0,0]=4 51 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 B014952 [0,1,0,0,0,1|2,0,0]=4 52 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 B020230 [0,2,0,0,0,0|1,0,0]=3 53 B12R1.113 CCOC1=CC=C(C(=O)O)C=N1 B029934 [0,2,0,0,0,0|1,0,0]=3 54 B12R1.367 CC1=C(C)C=C(C(=O)NN)C=C1 B014932 [0,2,0,0,0,0|2,0,0]=4 55 B12R1.367 CC1=C(C)C=C(\C(C)=N\O)C=C1 B046365 [0,2,0,0,0,0|2,0,0]=4 56 B12R1.367 COC(=O)C1=CC(Br)=C(N)C=C1 B049028 [0,2,0,0,0,0|1,0,0]=3 57 B12R1.367 NNC(=O)C1=CC=C(Cl)C(Cl)=C1 B018465 [0,2,0,0,0,0|2,0,0]=4 58 B12R1.1005 CC(=O)C1=CC(Cl)=C(N)C(Cl)=C1 B046336 [0,2,0,0,0,0|2,0,0]=4 59 B12R1.1005 NC1=CC(C(=O)O)=CC(N)=C1Cl B049388 [0,2,0,0,0,0|1,0,0]=3 60 B12R1.1005 NC1=CC([N+](=O)[O-])=CC(Cl)=C1O B049338 [0,2,0,0,0,0|1,0,1]=4 61 B12R1.12 CC\C(=N/O)C1=CC=C(C)C=C1 B006528 [0,2,0,0,0,0|2,0,0]=4 62 B12R1.12 N#C\C(=C/O)C1=CC=C(Cl)C=C1 B049801 [0,2,0,0,0,0|2,0,0]=4 63 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 B048536 [0,2,0,0,0,0|1,0,0]=3 64 B12R1.16 CNCC(=O)C1=CC=C(O)C=C1 B050024 [0,2,0,0,0,0|1,0,0]=3 65 B12R1.16 N#CCC(=O)C1=CC=C(F)C=C1 B020924 [0,2,0,0,0,0|2,0,0]=4 66 B12R1.1703 NNC(=O)C1=C(Cl)C=C(Cl)C=C1 B051575 [0,2,0,0,0,0|2,0,0]=4 67 B12R1.1000 NC1=CC(Cl)=CC(Cl)=C1C(=O)O B049671 [0,2,0,0,0,0|1,0,0]=3 68 B12R2.606 CC1=NC2=C(C=C(N)C=C2)O1 B049148 [0,0,0,1,0,1|2,0,0]=4 69 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 B048996 [0,0,0,1,0,1|2,0,0]=4 70 B12R2.606 O=C1OC2=C(C=C(O)C=C2)S1 B049000 [0,0,0,1,0,1|0,1,0]=3 71 B12R2.606 SC1=NC2=CC=C(Cl)C=C2O1 B039594 [0,0,0,1,0,1|1,1,0]=4 72 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 B050678 [0,1,0,1,0,0|1,0,0]=3 73 B8R1.1 C(=O)C1=CC=C(F)S1 B039130 [1,0,0,0,1,0|2,0,0]=4 74 B8R1.1 CC1=CC=C(C=O)S1 B015983 [1,0,0,0,1,0|2,0,0]=4 75 B8R1.1 O=CC1=CC=C(Cl)S1 B022480 [1,0,0,0,1,0|2,0,0]=4 76 B8R1.1 O=CC1=CSC(Br)=C1 B059806 [1,0,0,0,1,0|2,0,0]=4 77 B8R1.7 O=C(O)C1=CC=NS1 B049203 [1,0,0,0,1,0|2,0,0]=4 78 B8R1.7 O=C(O)C1=CNN=C1 B015883 [1,0,0,0,1,0|2,0,0]=4 79 B8R1.7 O=C(O)C1=NNC=C1 B000140 [1,0,0,0,1,0|2,0,0]=4 80 B10R1.18 NC(=S)CC1=CC=CC=C1 B039022 [1,0,0,0,0,1|1,1,0]=4 81 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 B003322 [0,0,0,0,0,2|1,0,0]=3 82 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 B039360 [0,0,0,0,0,2|1,0,0]=3 83 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 B029582 [0,0,0,0,0,2|1,0,0]=3