0 B10R1.13 O=C(O)C1=CC=C(O)N=C1 B049653 [0,0,0,0,0,0|3,0,0]=3 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|2,0,1]=4 3 B9R1.6 CC(N)C1=CC=NC=C1 B006179 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.6 NC(=S)C1=CC=CN=C1 B028584 [1,0,0,0,0,0|2,1,0]=4 5 B11R1.3 CCC1=CC=C(C(C)N)C=C1 B006829 [0,1,0,0,0,0|1,0,1]=3 6 B11R1.3 COC1=CC=C(C(C)N)C=C1 B006177 [0,1,0,0,0,0|1,0,1]=3 7 B11R1.3 COC1=CC=C(C(C)N)C=C1 B047210 [0,1,0,0,0,0|1,0,1]=3 8 B11R1.3 COC1=NC=C(C(=O)O)C=C1 B049007 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 B039656 [0,1,0,0,0,0|1,0,0]=2 10 B11R1.21 CC1=C(C)C=C(C(C)N)C=C1 B046383 [0,1,0,0,0,0|1,0,1]=3 11 B11R1.21 CN1C=C(C(=O)O)C=CC1=O B039490 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.22 CC1=CC=C(\C(N)=N\O)C=C1 B022751 [0,1,0,0,0,0|1,0,1]=3 13 B11R1.22 CNC(C)C1=CC=C(F)C=C1 B039530 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.22 COC(=O)C1=NC=C(O)N=C1 B050274 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 B022963 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.22 N\C(=N\O)C1=CC=C(F)C=C1 B030589 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.166 CC1=CC(C)=C(C(C)N)C=C1 B006832 [0,1,0,0,0,0|1,0,1]=3 18 B11R1.166 CN(C)C1=CC=C(Br)C=C1N B039646 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.35 CC(=O)C1=CC(Br)=CS1 B020506 [0,0,0,0,1,0|2,0,0]=3 20 B9R1.35 CC(=O)C1=CC=C(F)S1 B046183 [0,0,0,0,1,0|2,0,0]=3 21 B9R1.35 CC(=O)C1=CN(C)N=C1 B007418 [0,0,0,0,1,0|2,0,0]=3 22 B9R1.35 CC(=O)C1=CSC(C)=N1 B059741 [0,0,0,0,1,0|2,0,0]=3 23 B9R1.35 CC(=O)C1=NN(C)C=C1 B017804 [0,0,0,0,1,0|2,0,0]=3 24 B9R1.35 CC1=CC(C(=O)O)=CS1 B007488 [0,0,0,0,1,0|2,0,0]=3 25 B9R1.35 CC1=CC(C(=O)O)=NN1 B000144 [0,0,0,0,1,0|3,0,0]=4 26 B9R1.35 CC1=CC(C(=O)O)=NO1 B007473 [0,0,0,0,1,0|3,0,0]=4 27 B9R1.35 CC1=NOC(C(=O)O)=C1 B028540 [0,0,0,0,1,0|3,0,0]=4 28 B9R1.35 CN1C=C(C(=O)Cl)C=N1 B011574 [0,0,0,0,1,0|3,0,0]=4 29 B9R1.35 CN1C=C(C(=O)O)C=N1 B000227 [0,0,0,0,1,0|3,0,0]=4 30 B9R1.35 CN1C=CC(C(=O)Cl)=N1 B006627 [0,0,0,0,1,0|3,0,0]=4 31 B9R1.35 CN1C=CC(C(=O)O)=N1 B000139 [0,0,0,0,1,0|3,0,0]=4 32 B9R1.35 CN1C=CC(C(N)=O)=N1 B047067 [0,0,0,0,1,0|3,0,0]=4 33 B9R1.35 CN1C=NC(C(=O)O)=C1 B049879 [0,0,0,0,1,0|3,0,0]=4 34 B9R1.35 NC(=O)C1=CC=C(F)S1 B051305 [0,0,0,0,1,0|3,0,0]=4 35 B9R1.35 O=C(Cl)C1=CC=C(F)S1 B051304 [0,0,0,0,1,0|3,0,0]=4 36 B9R1.35 O=C(O)C1=CC(Br)=CS1 B013954 [0,0,0,0,1,0|3,0,0]=4 37 B9R1.35 O=C(O)C1=CC=C(F)S1 B029946 [0,0,0,0,1,0|3,0,0]=4 38 B10R1.1 CC1=CC=C(CON)C=C1 B018552 [1,1,0,0,0,0|0,0,2]=4 39 B10R1.1 CNCC1=CC=C(O)C=C1 B039566 [1,1,0,0,0,0|1,0,1]=4 40 B10R1.3 COC1=CC=C(NN)C=C1 B048983 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.3 N#CC1=CC=C(CCl)C=C1 B030136 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.176 CCC1=CC=C(O)C(N)=C1 B037973 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.15 C#CC(=O)C1=CC=CC=C1 B048976 [1,1,0,0,0,0|0,0,1]=3 44 B10R1.15 CCC(N)C1=CC=CC=C1 B006605 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.15 C\C(=N/O)C1=CC=NC=C1 B006530 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.15 N\C(=N/O)C1=CC=CC=C1 B020566 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.61 O=C(O)C1=CC=NC=C1Br B050303 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.14 CCC(=O)C1=CN(C)N=C1 B036111 [0,1,0,0,1,0|2,0,0]=4 49 B10R1.14 CNC(=O)C1=NN(C)C=C1 B047117 [0,1,0,0,1,0|2,0,0]=4 50 B10R1.14 COC(=O)C1=CC(C)=NN1 B024667 [0,1,0,0,1,0|2,0,0]=4 51 B10R1.14 COC(=O)C1=CC(C)=NO1 B038460 [0,1,0,0,1,0|2,0,0]=4 52 B10R1.14 COC(=O)C1=CC=C(F)S1 B052513 [0,1,0,0,1,0|2,0,0]=4 53 B10R1.14 COC(=O)C1=CN(C)N=C1 B051307 [0,1,0,0,1,0|2,0,0]=4 54 B10R1.14 COC(=O)C1=NN(C)C=C1 B016223 [0,1,0,0,1,0|2,0,0]=4 55 B10R1.14 COC(=O)C1=NOC(C)=C1 B007472 [0,1,0,0,1,0|2,0,0]=4 56 B10R1.31 CC(=O)C1=CC(CO)=CS1 B050197 [0,1,0,0,1,0|1,0,0]=3 57 B10R1.31 CCC1=CC=C(C(=O)O)S1 B000094 [0,1,0,0,1,0|2,0,0]=4 58 B10R1.31 CCC1=CC=C(C(C)=O)S1 B020337 [0,1,0,0,1,0|1,0,0]=3 59 B10R1.31 CCN1C=C(C(C)=O)C=N1 B007419 [0,1,0,0,1,0|2,0,0]=4 60 B10R1.31 CCN1C=CC(C(C)=O)=N1 B017803 [0,1,0,0,1,0|2,0,0]=4 61 B10R1.58 CC(=O)C1=NN(C)C(C)=C1 B059391 [0,1,0,0,1,0|2,0,0]=4 62 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 B029947 [0,1,0,0,1,0|2,0,0]=4 63 B10R1.59 CC(=O)C1=CC(C)=NN1C B018730 [0,1,0,0,1,0|2,0,0]=4 64 B10R1.59 CC(=O)C1=CN(C)N=C1C B007420 [0,1,0,0,1,0|2,0,0]=4 65 B10R1.59 CC(=O)C1=NN(C)C=C1Cl B017914 [0,1,0,0,1,0|2,0,0]=4 66 B10R1.59 CC(=O)C1=NN(C)C=C1I B047752 [0,1,0,0,1,0|2,0,0]=4 67 B10R1.194 CC(=O)C1=C(C)N(C)N=C1 B007422 [0,1,0,0,1,0|2,0,0]=4 68 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 B007490 [0,1,0,0,1,0|2,0,0]=4 69 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 B059691 [0,1,0,0,0,1|2,0,0]=4 70 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 B014952 [0,1,0,0,0,1|2,0,0]=4 71 B12R1.106 CS(=O)(=O)NC1=CC=C(N)C=C1 B037290 [0,1,0,0,0,1|2,0,0]=4 72 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 B028560 [0,2,0,0,0,0|1,0,1]=4 73 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 B039170 [0,2,0,0,0,0|1,0,1]=4 74 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 B020230 [0,2,0,0,0,0|0,0,0]=2 75 B12R1.113 CCCC1=CC=C(C(C)N)C=C1 B006607 [0,2,0,0,0,0|1,0,1]=4 76 B12R1.113 CCOC1=CC=C(C(=O)O)C=N1 B029934 [0,2,0,0,0,0|2,0,0]=4 77 B12R1.113 CCOC1=CC=C(C(C)N)C=C1 B006610 [0,2,0,0,0,0|1,0,1]=4 78 B12R1.256 CC(C)C1=CC=C(C(C)N)C=C1 B006173 [0,2,0,0,0,0|1,0,1]=4 79 B12R1.9 CNS(=O)(=O)C1=CC=C(N)C=C1 B000457 [0,2,0,0,0,0|2,0,0]=4 80 B12R1.126 CC1=CC(C)=C(S(=O)(=O)Cl)C=C1 B019390 [0,2,0,0,0,0|2,0,0]=4 81 B12R1.232 CC1=CC(O)=C(C(C)C)C=C1N B020019 [0,2,0,0,0,0|1,0,1]=4 82 B12R1.367 CC1=C(C)C=C(C(=O)NN)C=C1 B014932 [0,2,0,0,0,0|1,0,0]=3 83 B12R1.367 CC1=C(C)C=C(\C(C)=N\O)C=C1 B046365 [0,2,0,0,0,0|0,0,1]=3 84 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 B029995 [0,2,0,0,0,0|1,0,1]=4 85 B12R1.367 COC(=O)C1=CC(Br)=C(N)C=C1 B049028 [0,2,0,0,0,0|1,0,0]=3 86 B12R1.367 NNC(=O)C1=CC=C(Cl)C(Cl)=C1 B018465 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.1005 CC(=O)C1=CC(Cl)=C(N)C(Cl)=C1 B046336 [0,2,0,0,0,0|1,0,0]=3 88 B12R1.1005 NC1=CC(C(=O)O)=CC(N)=C1Cl B049388 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.12 CC\C(=N/O)C1=CC=C(C)C=C1 B006528 [0,2,0,0,0,0|0,0,1]=3 90 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 B048536 [0,2,0,0,0,0|1,0,0]=3 91 B12R1.16 CNCC(=O)C1=CC=C(O)C=C1 B050024 [0,2,0,0,0,0|1,0,0]=3 92 B12R1.16 N#CCC(=O)C1=CC=C(F)C=C1 B020924 [0,2,0,0,0,0|1,0,0]=3 93 B12R1.1703 CCC(N)C1=C(C)C=C(C)C=C1 B029994 [0,2,0,0,0,0|1,0,1]=4 94 B12R1.1703 NNC(=O)C1=C(Cl)C=C(Cl)C=C1 B051575 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.1000 NC1=CC(Cl)=CC(Cl)=C1C(=O)O B049671 [0,2,0,0,0,0|2,0,0]=4 96 B12R2.606 CC1=CC2=C(C=CC(N)=C2)O1 B049968 [0,0,0,1,0,1|2,0,0]=4 97 B12R2.606 CC1=NC2=C(C=C(N)C=C2)O1 B049148 [0,0,0,1,0,1|1,0,1]=4 98 B12R2.606 CC1=NC2=C(C=C(N)C=C2)S1 B049143 [0,0,0,1,0,1|1,1,0]=4 99 B12R2.606 CC1=NC2=C(C=CC(N)=C2)N1 B049415 [0,0,0,1,0,1|2,0,0]=4 100 B12R2.606 CC1=NC2=C(C=CC(N)=C2)S1 B049142 [0,0,0,1,0,1|2,0,0]=4 101 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 B048996 [0,0,0,1,0,1|2,0,0]=4 102 B12R2.606 O=C1OC2=C(C=C(O)C=C2)S1 B049000 [0,0,0,1,0,1|2,0,0]=4 103 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 B050678 [0,1,0,1,0,0|1,0,0]=3 104 B8R1.1 C(=O)C1=CC=C(F)S1 B039130 [1,0,0,0,1,0|2,0,0]=4 105 B8R1.1 CC1=CC=C(C=O)S1 B015983 [1,0,0,0,1,0|1,0,0]=3 106 B8R1.1 CC1=NNC(C=O)=C1 B014001 [1,0,0,0,1,0|2,0,0]=4 107 B8R1.1 CN1C=C(C=O)C=N1 B000400 [1,0,0,0,1,0|2,0,0]=4 108 B8R1.1 CN1C=CC(C=O)=N1 B007390 [1,0,0,0,1,0|2,0,0]=4 109 B8R1.1 O=CC1=CC=C(Cl)S1 B022480 [1,0,0,0,1,0|2,0,0]=4 110 B8R1.1 O=CC1=CSC(Br)=C1 B059806 [1,0,0,0,1,0|2,0,0]=4 111 B10R1.18 NC(=S)CC1=CC=CC=C1 B039022 [1,0,0,0,0,1|1,1,0]=4 112 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 B059712 [0,0,0,0,0,2|1,0,1]=4 113 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 B003322 [0,0,0,0,0,2|1,0,0]=3 114 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 B039360 [0,0,0,0,0,2|2,0,0]=4 115 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 B029582 [0,0,0,0,0,2|2,0,0]=4