0 B10R1.58 CC(=O)C1=NN(C)C(C)=C1 B059391 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 B029947 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.58 CC1=CC(C(=O)O)=NN1C B035940 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.58 CC1=CC(C(N)=O)=NN1C B046398 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.58 CN1N=C(C(=O)O)C=C1N B037986 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 B013955 [0,0,0,0,0,0|1,1,0]=2 6 B9R1.23 CC1=C(Br)C=C(C=O)S1 B003571 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.23 CC1=CC(C=O)=NN1C B015981 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.23 O=CC1=CC(Br)=C(Br)S1 B006821 [1,0,0,0,0,0|1,1,0]=3 9 B9R1.35 CC(=O)C1=CC(Br)=CS1 B020506 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.35 CC(=O)C1=CC=C(F)S1 B046183 [1,0,0,0,0,0|1,1,0]=3 11 B9R1.35 CC(O)C1=CC=C(F)S1 B046192 [1,0,0,0,0,0|1,1,1]=4 12 B9R1.35 CC1=CC(C(=O)O)=CS1 B007488 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.35 CC1=CC(C(=O)O)=NN1 B000144 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.35 CC1=CC(C(=O)O)=NO1 B007473 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.35 CC1=NOC(C(=O)O)=C1 B028540 [1,0,0,0,0,0|1,1,0]=3 16 B9R1.35 CN1C=C(C(=O)O)C=N1 B000227 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.35 CN1C=CC(C(=O)O)=N1 B000139 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.35 CN1C=NC(C(=O)O)=C1 B049879 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.35 NC(=O)C1=CC=C(F)S1 B051305 [1,0,0,0,0,0|1,1,0]=3 20 B9R1.35 NC1=NNC(C(=O)O)=C1 B007338 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.35 NC1=NNC(C(=O)O)=C1 B015878 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.35 O=C(Cl)C1=CC=C(F)S1 B051304 [1,0,0,0,0,0|1,1,0]=3 23 B9R1.35 O=C(O)C1=CC(Br)=CS1 B013954 [1,0,0,0,0,0|1,0,0]=2 24 B9R1.35 O=C(O)C1=CC=C(F)S1 B029946 [1,0,0,0,0,0|0,1,0]=2 25 B9R1.35 O=C1C=C(C(=O)O)NN1 B050600 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.35 O=[N+]([O-])C1=CC=C(F)S1 B047233 [1,0,0,0,0,0|1,1,1]=4 27 B9R1.35 OB(O)C1=CC=C(F)S1 B046258 [1,0,0,0,0,0|1,1,1]=4 28 B11R1.48 CCC1=C(Br)C=C(C(=O)O)S1 B013956 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.48 CCN1N=C(C(=O)O)C=C1C B035888 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.226 COC(=O)C1=NN(C)C(C)=C1 B035939 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.226 NNC(=O)C1=CC(Br)=C(Br)S1 B015344 [0,1,0,0,0,0|2,1,0]=4 32 B11R1.672 CC1=C(Br)C(C(=O)O)=NN1C B000216 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.672 CC1=C(Cl)C(C(=O)O)=NN1C B000978 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.672 CC1=C(N)C(C(=O)O)=NN1C B030030 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.672 CN1C(=S)SC(C(N)=O)=C1N B048991 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.21 CN1C=C(C(=O)O)C=CC1=O B039490 [0,0,0,0,0,1|3,0,0]=4 37 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 B049542 [0,0,0,0,0,1|3,0,0]=4 38 B11R1.74 O=C1C=C(C(=O)O)NC(=S)N1 B049632 [0,0,0,0,0,1|3,0,0]=4 39 B11R1.80 CC1=CN(CC(=O)O)N=C1N B046190 [0,0,0,0,0,1|3,0,0]=4 40 B11R1.80 CC1=NN(CC(=O)O)C=C1Cl B007139 [0,0,0,0,0,1|3,0,0]=4 41 B8R1.1 C(=O)C1=CC=C(F)S1 B039130 [2,0,0,0,0,0|0,1,0]=3 42 B8R1.1 CC1=CC=C(C=O)S1 B015983 [2,0,0,0,0,0|1,0,0]=3 43 B8R1.1 CC1=NNC(C=O)=C1 B014001 [2,0,0,0,0,0|2,0,0]=4 44 B8R1.1 O=CC1=CC=C(Cl)S1 B022480 [2,0,0,0,0,0|0,0,0]=2 45 B8R1.1 O=CC1=CN=C(Cl)S1 B030507 [2,0,0,0,0,0|1,0,0]=3 46 B8R1.1 OCC1=CC=C(F)S1 B046290 [2,0,0,0,0,0|0,1,1]=4 47 B8R1.7 O=C(O)C1=CC=NS1 B049203 [2,0,0,0,0,0|1,0,0]=3 48 B8R1.7 O=C(O)C1=NNC=C1 B000140 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.35 CCC1=C(Br)C=C(C=O)S1 B003569 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.14 COC(=O)C1=CC(C)=NN1 B024667 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.14 COC(=O)C1=CC(C)=NO1 B038460 [1,1,0,0,0,0|1,1,0]=4 52 B10R1.14 COC(=O)C1=CC=C(F)S1 B052513 [1,1,0,0,0,0|0,1,0]=3 53 B10R1.14 COC(=O)C1=NOC(C)=C1 B007472 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.14 C\C(=N/O)C1=CC=C(F)S1 B046287 [1,1,0,0,0,0|1,1,0]=4 55 B10R1.14 NNC(=O)C1=CC(Br)=CS1 B015343 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.14 NNC(=O)C1=CC=C(F)S1 B052501 [1,1,0,0,0,0|1,1,0]=4 57 B10R1.31 CC(=O)C1=CC(CO)=CS1 B050197 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.31 CCC1=CC=C(C(=O)O)S1 B000094 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.31 CCC1=CC=C(C(C)=O)S1 B020337 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.31 CCC1=NOC(C(=O)O)=C1 B036531 [1,1,0,0,0,0|1,1,0]=4 61 B10R1.31 COC1=NC=C(C(=O)O)S1 B059784 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.31 O=C(O)C1=NOC(CO)=C1 B050339 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.55 O=S(=O)(Cl)C1=CC=C(Cl)S1 B019398 [1,1,0,0,0,0|1,0,1]=4 64 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 B030024 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 B013525 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.194 CC1=C(Br)C(C(=O)O)=NO1 B047202 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 B007490 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.194 CC1=C(C)C(C(=O)O)=NO1 B022861 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.194 CC1=C(I)C(C(=O)O)=NN1 B047695 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.194 CC1=C(N)C(C(=O)O)=NN1 B051118 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.194 CC1=NNC(C(=O)O)=C1Br B051760 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.194 CC1=NOC(C(=O)O)=C1C B036561 [1,1,0,0,0,0|1,1,0]=4 73 B12R1.1005 NC1=CC(C(=O)O)=CC(N)=C1Cl B049388 [0,1,0,0,0,1|2,0,0]=4 74 B12R1.358 COC(=O)C1=CC(Cl)=NC(Cl)=C1 B049563 [0,1,0,0,0,1|2,0,0]=4 75 B12R1.68 CC(=O)C1=CC(CCl)=C(CCl)S1 B050314 [0,2,0,0,0,0|1,0,0]=3 76 B12R1.274 CCCC1=C(Br)C=C(C(=O)O)S1 B013957 [0,2,0,0,0,0|2,0,0]=4 77 B10R1.54 CC1=CC(CC(=O)O)=NN1 B050171 [1,0,0,0,0,1|2,0,0]=4 78 B10R1.54 CC1=CN(CC(=O)O)N=C1 B007158 [1,0,0,0,0,1|2,0,0]=4 79 B10R1.54 O=C(O)CC1=CC=C(F)S1 B052453 [1,0,0,0,0,1|0,1,0]=3