0 B9R1.2 NC1=NC=CC(CO)=C1 B039501 [1,0,0,0,0,0|2,0,1]=4 1 B9R1.6 NC(=S)C1=CC=CN=C1 B028584 [1,0,0,0,0,0|2,1,0]=4 2 B11R1.21 CN1C=C(C(=O)O)C=CC1=O B039490 [0,1,0,0,0,0|2,0,0]=3 3 B11R1.74 NC1=CC(O)=CC([N+](=O)[O-])=C1 B007058 [0,1,0,0,0,0|1,0,1]=3 4 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 B049542 [0,1,0,0,0,0|1,0,0]=2 5 B11R1.74 O=C1C=C(C(=O)O)NC(=S)N1 B049632 [0,1,0,0,0,0|2,0,1]=4 6 B11R1.159 CC1=C(C(N)=O)C=CC=C1N B050747 [0,1,0,0,0,0|2,0,0]=3 7 B11R1.159 NC1=C(O)C(C(=O)O)=CC=C1 B048728 [0,1,0,0,0,0|1,0,0]=2 8 B11R1.159 NC1=CC=CC(C(=O)O)=C1N B050432 [0,1,0,0,0,0|1,0,0]=2 9 B11R1.266 COC1=CC(C(C)N)=CC=C1 B006176 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 B019567 [0,1,0,0,0,0|1,0,0]=2 11 B9R1.35 CC(=O)C1=CC(Br)=CS1 B020506 [0,0,0,0,1,0|3,0,0]=4 12 B9R1.35 CC(=O)C1=CC=C(F)S1 B046183 [0,0,0,0,1,0|3,0,0]=4 13 B9R1.35 CC1=CC(C(=O)O)=CS1 B007488 [0,0,0,0,1,0|2,0,0]=3 14 B9R1.35 CC1=CC(C(=O)O)=NN1 B000144 [0,0,0,0,1,0|3,0,0]=4 15 B9R1.35 CC1=CC(C(=O)O)=NO1 B007473 [0,0,0,0,1,0|3,0,0]=4 16 B9R1.35 CC1=NOC(C(=O)O)=C1 B028540 [0,0,0,0,1,0|3,0,0]=4 17 B9R1.35 CN1C=C(C(=O)O)C=N1 B000227 [0,0,0,0,1,0|3,0,0]=4 18 B9R1.35 CN1C=CC(C(=O)O)=N1 B000139 [0,0,0,0,1,0|3,0,0]=4 19 B9R1.35 CN1C=NC(C(=O)O)=C1 B049879 [0,0,0,0,1,0|3,0,0]=4 20 B9R1.35 NC(=O)C1=CC=C(F)S1 B051305 [0,0,0,0,1,0|3,0,0]=4 21 B9R1.35 NC1=NNC(C(=O)O)=C1 B007338 [0,0,0,0,1,0|3,0,0]=4 22 B9R1.35 NC1=NNC(C(=O)O)=C1 B015878 [0,0,0,0,1,0|3,0,0]=4 23 B9R1.35 O=C(Cl)C1=CC=C(F)S1 B051304 [0,0,0,0,1,0|3,0,0]=4 24 B9R1.35 O=C(O)C1=CC(Br)=CS1 B013954 [0,0,0,0,1,0|2,0,0]=3 25 B9R1.35 O=C(O)C1=CC=C(F)S1 B029946 [0,0,0,0,1,0|2,0,0]=3 26 B9R1.35 O=C1C=C(C(=O)O)NN1 B050600 [0,0,0,0,1,0|2,0,1]=4 27 B9R1.41 CN1N=CC=C1C(=O)O B000141 [0,0,0,0,1,0|3,0,0]=4 28 B9R1.41 NC(=O)C1=C(N)SC=C1 B014696 [0,0,0,0,1,0|3,0,0]=4 29 B9R1.41 NC1=CNN=C1C(=O)O B036422 [0,0,0,0,1,0|3,0,0]=4 30 B9R1.41 NC1=CNN=C1C(=O)O B047686 [0,0,0,0,1,0|3,0,0]=4 31 B9R1.41 NC1=CSN=C1C(=O)O B049586 [0,0,0,0,1,0|3,0,0]=4 32 B9R1.41 NC1=NNC=C1C(=O)O B007340 [0,0,0,0,1,0|3,0,0]=4 33 B9R1.41 O=C(O)C1=NNC=C1Br B006501 [0,0,0,0,1,0|3,0,0]=4 34 B9R1.41 O=C(O)C1=NNC=C1Cl B000131 [0,0,0,0,1,0|3,0,0]=4 35 B9R1.41 O=C(O)C1=NNC=C1I B006484 [0,0,0,0,1,0|3,0,0]=4 36 B11R1.157 CC(=O)CC1=CC(C)=CC=N1 B037032 [0,0,0,0,0,1|3,0,0]=4 37 B10R1.10 CNCC1=CC(O)=CC=C1 B039552 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.13 O=C(O)C1=CC=C(O)N=C1 B049653 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.15 C#CC(=O)C1=CC=CC=C1 B048976 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.15 C\C(=N/O)C1=CC=NC=C1 B006530 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.15 N\C(=N/O)C1=CC=CC=C1 B020566 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.15 N\C(=N/O)C1=CC=NC=C1 B030084 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.15 N\C(=N/O)C1=CN=CC=C1 B030080 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.15 N\C(=N/O)C1=NC=CC=C1 B030083 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.61 NC1=C(C(=O)O)C=NC=N1 B050277 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.61 O=C(O)C1=CC=NC=C1Br B050303 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.14 COC(=O)C1=CC=C(F)S1 B052513 [0,1,0,0,1,0|2,0,0]=4 48 B10R1.31 CC(=O)C1=CC(CO)=CS1 B050197 [0,1,0,0,1,0|2,0,0]=4 49 B10R1.31 CCC1=CC=C(C(=O)O)S1 B000094 [0,1,0,0,1,0|2,0,0]=4 50 B10R1.31 COC1=NC=C(C(=O)O)S1 B059784 [0,1,0,0,1,0|2,0,0]=4 51 B10R1.31 O=C(O)C1=NN(CO)C=C1 B020581 [0,1,0,0,1,0|2,0,0]=4 52 B10R1.31 O=C(O)C1=NOC(CO)=C1 B050339 [0,1,0,0,1,0|2,0,0]=4 53 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 B029947 [0,1,0,0,1,0|2,0,0]=4 54 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 B013955 [0,1,0,0,1,0|2,0,0]=4 55 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 B007490 [0,1,0,0,1,0|2,0,0]=4 56 B10R1.149 COC(=O)C1=C(N)C=CS1 B020093 [0,1,0,0,1,0|2,0,0]=4 57 B10R1.149 COC(=O)C1=C(O)C=CS1 B029631 [0,1,0,0,1,0|1,0,0]=3 58 B12R1.50 N\C(CC1=CC(Cl)=CC=C1)=N/O B034862 [0,1,0,0,0,1|2,0,0]=4 59 B12R1.367 CC1=C(C)C=C(C(=O)NN)C=C1 B014932 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.367 CC1=C(C)C=C(\C(C)=N\O)C=C1 B046365 [0,2,0,0,0,0|2,0,0]=4 61 B12R1.367 COC(=O)C1=CC(Br)=C(N)C=C1 B049028 [0,2,0,0,0,0|1,0,0]=3 62 B12R1.367 NNC(=O)C1=CC=C(Cl)C(Cl)=C1 B018465 [0,2,0,0,0,0|2,0,0]=4 63 B12R1.1005 CC(=O)C1=CC(Cl)=C(N)C(Cl)=C1 B046336 [0,2,0,0,0,0|2,0,0]=4 64 B12R1.1005 NC1=CC(C(=O)O)=CC(N)=C1Cl B049388 [0,2,0,0,0,0|1,0,0]=3 65 B12R1.17 CCOC(=O)C1=CC(Br)=CN=C1 B049655 [0,2,0,0,0,0|2,0,0]=4 66 B12R1.354 COC(=O)C1=CC(N)=CC=C1Cl B049214 [0,2,0,0,0,0|1,0,0]=3 67 B12R1.358 COC(=O)C1=CC(Cl)=NC(Cl)=C1 B049563 [0,2,0,0,0,0|2,0,0]=4 68 B12R1.435 COC(=O)C1=CC=CC(CBr)=C1 B020237 [0,2,0,0,0,0|1,0,0]=3 69 B12R1.11 COC1=CC([N+](=O)[O-])=CC(N)=C1 B014360 [0,2,0,0,0,0|1,0,1]=4 70 B12R1.894 CC1=C(Br)C(C(=O)O)=C(N)C=C1 B048602 [0,2,0,0,0,0|1,0,0]=3 71 B12R1.46 COC1=CC=C(Br)C=C1C(=O)O B025214 [0,2,0,0,0,0|1,0,0]=3 72 B12R1.453 COC1=CC(C(=O)O)=C(Cl)C=C1 B037976 [0,2,0,0,0,0|0,0,0]=2 73 B12R1.279 CCOC1=CC(C(C)=O)=CC=C1 B000300 [0,2,0,0,0,0|1,0,0]=3 74 B12R2.202 CC1=CC2=C(O1)C(N)=CC=C2 B049981 [0,0,0,1,0,1|2,0,0]=4 75 B12R2.606 CC1=CC2=C(C=CC(N)=C2)O1 B049968 [0,0,0,1,0,1|2,0,0]=4 76 B12R2.606 ClC1=CC=C2OC(Cl)=NC2=C1 B039590 [0,0,0,1,0,1|2,0,0]=4 77 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 B048996 [0,0,0,1,0,1|2,0,0]=4 78 B12R2.606 O=C1OC2=C(C=C(O)C=C2)S1 B049000 [0,0,0,1,0,1|0,0,0]=2 79 B12R2.606 SC1=NC2=CC(Cl)=CC=C2O1 B039586 [0,0,0,1,0,1|1,1,0]=4 80 B8R1.1 C(=O)C1=CC=C(F)S1 B039130 [1,0,0,0,1,0|2,0,0]=4 81 B8R1.1 CC1=CC=C(C=O)S1 B015983 [1,0,0,0,1,0|2,0,0]=4 82 B8R1.1 O=CC1=CC=C(Cl)S1 B022480 [1,0,0,0,1,0|2,0,0]=4 83 B8R1.1 O=CC1=CSC(Br)=C1 B059806 [1,0,0,0,1,0|2,0,0]=4 84 B8R1.7 O=C(O)C1=CC=NS1 B049203 [1,0,0,0,1,0|2,0,0]=4 85 B8R1.7 O=C(O)C1=CNN=C1 B015883 [1,0,0,0,1,0|2,0,0]=4 86 B8R1.7 O=C(O)C1=NNC=C1 B000140 [1,0,0,0,1,0|2,0,0]=4 87 B10R1.18 NC(=S)CC1=CC=CC=C1 B039022 [1,0,0,0,0,1|1,1,0]=4 88 B12R1.226 CC1=CC(NCC(=O)O)=CC=C1 B003340 [0,0,0,0,0,2|1,0,0]=3 89 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 B049111 [0,0,0,0,0,2|1,0,0]=3