0 B12R2.18 CN1NC2=CC=CC=C2C1=O ACS018891 [0,0,0,0,0,0|3,0,1]=4 1 B11R2.1 BrC1=COC2=C1C=CC=C2 ACS017484 [1,0,0,0,0,0|3,0,0]=4 2 B11R2.1 BrC1=NNC2=CC=CC=C12 ACS018804 [1,0,0,0,0,0|3,0,0]=4 3 B11R2.1 CC1=CNC2=C1C=NC=C2 ACS020821 [1,0,0,0,0,0|3,0,0]=4 4 B11R2.1 CC1=NNC2=CC=CC=C12 ACS017504 [1,0,0,0,0,0|3,0,0]=4 5 B11R2.1 FC1=CNC2=NC=CC=C21 ACF021934 [1,0,0,0,0,0|3,0,0]=4 6 B11R2.1 N1N=C(C2=CC=CC=C12)N ACS017316 [1,0,0,0,0,0|3,0,0]=4 7 B11R2.1 N1NC(C2=CC=CC=C12)=O ACS017555 [1,0,0,0,0,0|2,0,1]=4 8 B11R2.1 O1N=C(C2=C1C=CC=C2)O ACS018863 [1,0,0,0,0,0|3,0,0]=4 9 B11R2.10 BrC=1OC2=C(N1)C=CC=C2 ACS019241 [1,0,0,0,0,0|2,0,1]=4 10 B11R2.10 BrC=1SC2=C(N1)C=CC=C2 ACS023936 [1,0,0,0,0,0|2,0,1]=4 11 B11R2.10 C1C(CC2=CC=CC=C12)=O ACS015485 [1,0,0,0,0,0|2,0,0]=3 12 B11R2.10 CC=1CC2=CC=CC=C2C1 ACS010787 [1,0,0,0,0,0|3,0,0]=4 13 B11R2.10 CC=1NC2=CC=CC=C2C1 ACS011044 [1,0,0,0,0,0|2,0,0]=3 14 B11R2.10 ClC=1NC2=C(N1)C=CC=C2 ACS011055 [1,0,0,0,0,0|1,0,1]=3 15 B11R2.10 ClC=1NC=2C(=NC=CC2)N1 ACS023940 [1,0,0,0,0,0|2,0,1]=4 16 B11R2.10 N1C(=NC2=NC=CC=C21)N ACS019249 [1,0,0,0,0,0|2,0,1]=4 17 B11R2.10 N1C(NC2=NC=CC=C21)=O ACS024033 [1,0,0,0,0,0|1,0,0]=2 18 B11R2.10 NC=1NC2=C(N1)C=CC=C2 ACS011188 [1,0,0,0,0,0|1,0,1]=3 19 B11R2.10 NC=1SC2=C(N1)C=CC=C2 ACS015408 [1,0,0,0,0,0|2,0,1]=4 20 B11R2.10 O1C(CC2=C1C=CC=C2)=O ACS012026 [1,0,0,0,0,0|2,0,0]=3 21 B11R2.10 SC=1NC2=C(N1)C=CC=C2 ACS011577 [1,0,0,0,0,0|0,1,1]=3 22 B11R2.10 SC=1OC2=C(N1)C=CC=C2 ACS011162 [1,0,0,0,0,0|1,1,1]=4 23 B13R2.359 FC1(C(NC2=CC=CC=C12)=O)F ACF022154 [0,1,0,0,0,0|2,0,0]=3 24 B13R2.359 FC1(C(NC2=NC=CC=C21)=O)F ACF021927 [0,1,0,0,0,0|3,0,0]=4 25 B13R2.3028 BrC1=C(NC2=CC=C(C=C12)F)C ACF022152 [0,1,0,0,0,0|3,0,0]=4 26 B13R2.3028 ClC=1C=C2C(C(NC2=CC1)=O)=O ACS011581 [0,1,0,0,0,0|1,0,1]=3 27 B13R2.3028 FC=1C=C2C(C(NC2=CC1)=O)=O ACF010210 [0,1,0,0,0,0|1,0,1]=3 28 B13R2.4825 FC=1C=CC=C2C(C(NC12)=O)=O ACF015474 [0,1,0,0,0,0|1,0,1]=3 29 B13R2.4825 FC=1C=CC=C2C(C(NC12)=O)C ACF022638 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.36 OC(C(=O)O)C1=CC=CC=C1 ACS012974 [0,0,1,0,0,0|2,0,0]=3 31 B11R1.40 C1(=CC=CC=C1)CC(CC)=O ACS014616 [0,0,1,0,0,0|3,0,0]=4 32 B11R1.40 C1(=CC=CC=C1)OC(NC)=O ACS017176 [0,0,1,0,0,0|2,0,0]=3 33 B13R2.32 BrC1=C(C2=CC=CC=C2C=C1)O ACS020045 [0,0,0,0,0,1|3,0,0]=4 34 B13R2.328 CC=1N=C(C2=CC=CC=C2C1)O ACS019114 [0,0,0,0,0,1|3,0,0]=4 35 B13R2.328 NC1=NC2=CC=CC=C2C(=C1)O ACS019189 [0,0,0,0,0,1|2,0,1]=4 36 B13R2.328 NC1=NC2=CC=CC=C2C(=N1)O ACS019195 [0,0,0,0,0,1|2,0,1]=4 37 B13R2.328 OC1=CC(=CC2=CC=CC=C12)O ACS024035 [0,0,0,0,0,1|2,0,1]=4 38 B13R2.328 c1ccc2c(c1)c(nc(n2)O)O ACS015511 [0,0,0,0,0,1|1,0,2]=4 39 B13R2.369 CC1OC2=C(NC1=O)C=CC=C2 ACS023948 [0,0,0,0,0,1|2,0,0]=3 40 B10R1.18 C1(=CC=CC=C1)CC(=O)O ACS012991 [1,0,1,0,0,0|1,0,0]=3 41 B10R1.18 ClC(=O)OC1=CC=CC=C1 ACS017180 [1,0,1,0,0,0|2,0,0]=4 42 B10R1.18 N1=C(C=CC=C1)CC(=O)O ACS015242 [1,0,1,0,0,0|2,0,0]=4 43 B10R1.18 N1=CC=C(C=C1)CC(=O)O ACS015243 [1,0,1,0,0,0|2,0,0]=4 44 B10R1.20 C(C)C1=C(C=O)C=CC=C1 ACS010442 [1,0,1,0,0,0|2,0,0]=4 45 B10R1.20 C=1(C(=CC=CC1)C=O)C=O ACS014310 [1,0,1,0,0,0|1,0,1]=4 46 B10R1.61 BrC1=C(C(=O)O)C=CC=C1 ACS010526 [1,0,1,0,0,0|2,0,0]=4 47 B10R1.61 C=1(C(=CC=CC1)C(=O)O)C ACS011698 [1,0,1,0,0,0|2,0,0]=4 48 B10R1.61 ClC1=C(C(=O)O)C=CC=C1 ACS013118 [1,0,1,0,0,0|2,0,0]=4 49 B10R1.61 FC1=C(C(=O)O)C=CC=C1 ACF013185 [1,0,1,0,0,0|2,0,0]=4 50 B10R1.61 IC1=C(C(=O)O)C=CC=C1 ACS010558 [1,0,1,0,0,0|2,0,0]=4 51 B10R1.61 NC1=C(C(=O)O)C=CC=C1 ACS013040 [1,0,1,0,0,0|1,0,0]=3 52 B10R1.61 NC1=C(C(=O)O)C=CC=N1 ACS010065 [1,0,1,0,0,0|2,0,0]=4 53 B10R1.61 NC=1C(=NC=CC1)C(=O)O ACS010257 [1,0,1,0,0,0|2,0,0]=4 54 B10R1.61 NC=1C=NC=CC1C(=O)O ACS010337 [1,0,1,0,0,0|2,0,0]=4 55 B10R1.61 OC1=C(C(=O)O)C=CC=C1 ACS013209 [1,0,1,0,0,0|2,0,0]=4 56 B10R1.61 SC1=C(C(=O)O)C=CC=C1 ACS013223 [1,0,1,0,0,0|2,0,0]=4 57 B10R1.61 [N+](=O)([O-])C1=C(N)C=CC=C1 ACS024387 [1,0,1,0,0,0|0,0,2]=4 58 B10R2.7 C1C=CC2=CC=CC=C12 ACS011977 [2,0,0,0,0,0|2,0,0]=4 59 B10R2.7 N1=CNC2=C1C=CC=C2 ACS015425 [2,0,0,0,0,0|0,0,1]=3 60 B10R2.7 N1C=CC2=CC=CC=C12 ACS015484 [2,0,0,0,0,0|1,0,0]=3 61 B10R2.7 N1C=CC2=CN=CC=C12 ACS011063 [2,0,0,0,0,0|2,0,0]=4 62 B10R2.7 N1C=CC=2C1=NC=CC2 ACS015502 [2,0,0,0,0,0|2,0,0]=4 63 B10R2.7 N1CCC2=CC=CC=C12 ACS011043 [2,0,0,0,0,0|1,0,1]=4 64 B10R2.7 S1C2=C(C=C1)C=CC=C2 ACS011575 [2,0,0,0,0,0|2,0,0]=4 65 B12R1.20 ClC1=CC=C(C=C1)C(C(=O)O)O ACS012941 [0,1,1,0,0,0|2,0,0]=4 66 B12R1.20 OC(C(=O)O)C1=CC=C(C=C1)C ACS015778 [0,1,1,0,0,0|2,0,0]=4 67 B12R1.34 COC(=O)[C@@H](c1ccccc1)O ACS011328 [0,1,1,0,0,0|2,0,0]=4 68 B12R1.253 CC(c1ccccc1)(C(=O)O)O ACS010926 [0,1,1,0,0,0|2,0,0]=4 69 B12R1.32 C(#N)CC(=O)NC1=CC=CC=C1 ACS013817 [0,1,1,0,0,0|2,0,0]=4 70 B12R1.24 NC1=C(C=CC=C1F)C(C=O)=O ACF017155 [0,1,1,0,0,0|1,0,1]=4 71 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO ACS011024 [1,1,0,0,0,0|1,0,0]=3 72 B12R2.132 BrC1=CNC2=CC=C(C=C12)Cl ACS011135 [1,1,0,0,0,0|2,0,0]=4 73 B12R2.132 NC1=CNC2=CC=C(C=C12)Br ACS011236 [1,1,0,0,0,0|2,0,0]=4 74 B12R2.196 BrC1=CC=CC=2N(C=NC21)C ACS017160 [1,1,0,0,0,0|1,0,1]=4 75 B12R2.196 FC1=C2C=CN(C2=CC=C1)C ACF022071 [1,1,0,0,0,0|2,0,0]=4 76 B12R2.203 FC1=C2C(=CNC2=CC=C1)C ACF022074 [1,1,0,0,0,0|2,0,0]=4 77 B12R2.612 BrC1=CC2=C(N(C=N2)C)C=C1 ACS018828 [1,1,0,0,0,0|1,0,1]=4 78 B12R2.2028 BrC1=CN(C2=CC=CC=C12)C ACS017365 [1,1,0,0,0,0|2,0,0]=4 79 B12R2.32 S1C(=NC2=C1C=CC=C2)C=O ACS023746 [1,1,0,0,0,0|1,0,1]=4 80 B12R2.95 C1C2=CC=CC=C2NS1(=O)=O ACS023733 [1,1,0,0,0,0|2,0,0]=4 81 B12R2.202 ClC1=C2NC(NC2=NC=N1)=O ACS020354 [1,1,0,0,0,0|2,0,0]=4 82 B12R2.202 FC1=C2C(=NC=C1)NC(C2)=O ACF021142 [1,1,0,0,0,0|2,0,0]=4 83 B12R2.202 FC1=C2C=C(NC2=CC=C1)C ACF022035 [1,1,0,0,0,0|2,0,0]=4 84 B12R2.202 FC1=CC=CC2=C1NC(O2)=O ACF017199 [1,1,0,0,0,0|1,0,0]=3 85 B12R2.202 FC=1C=CC=C2CC(NC12)=O ACF015473 [1,1,0,0,0,0|1,0,0]=3 86 B12R2.606 BrC1=CC2=C(NC(=N2)N)C=C1 ACS017311 [1,1,0,0,0,0|1,0,1]=4 87 B12R2.606 BrC1=CC=C2CC(NC2=C1)=O ACS011028 [1,1,0,0,0,0|1,0,0]=3 88 B12R2.606 BrC=1C=C2C(=NC1)NC(N2)=O ACS020922 [1,1,0,0,0,0|1,0,0]=3 89 B12R2.606 BrC=1C=C2CC(CC2=CC1)=O ACS020906 [1,1,0,0,0,0|2,0,0]=4 90 B12R2.606 BrC=1C=CC2=C(NC(O2)=O)C1 ACS020350 [1,1,0,0,0,0|1,0,0]=3 91 B12R2.606 CC1=NC2=C(N1)C=C(C=C2)N ACS019236 [1,1,0,0,0,0|1,0,1]=4 92 B12R2.606 FC1=CC=C2C(=N1)NC(C2)=O ACF021926 [1,1,0,0,0,0|2,0,0]=4 93 B12R2.606 FC1=CC=C2C=C(NC2=C1)C ACF016928 [1,1,0,0,0,0|2,0,0]=4 94 B12R2.606 FC1=CC=C2CC(NC2=C1)=O ACF010212 [1,1,0,0,0,0|1,0,0]=3 95 B12R2.606 FC=1C=C2C(=NC1)NC(C2)=O ACF021143 [1,1,0,0,0,0|2,0,0]=4 96 B12R2.606 FC=1C=C2C=C(NC2=CC1)C ACF010282 [1,1,0,0,0,0|2,0,0]=4 97 B12R2.606 FC=1C=C2CC(NC2=CC1)=O ACF010211 [1,1,0,0,0,0|1,0,0]=3 98 B12R2.606 NC1=NC2=C(N1)C=CC(=C2)O ACS020380 [1,1,0,0,0,0|1,0,1]=4 99 B14R2.29369 ClC=1C=C2NCC(N(C2=CC1)C)=O ACS020744 [0,1,0,0,0,1|1,0,0]=3 100 B14R2.8235 ClC1=CC=C2C(C(=O)OC(N2)=O)=C1 ACS010272 [0,1,0,0,0,1|1,0,1]=4 101 B14R2.29365 ClC=1C=C2C(C(=O)OC(N2)=O)=CC1 ACS011512 [0,1,0,0,0,1|1,0,1]=4 102 B14R2.4507 BrC=1C=C2C(C(NC2=CC1)=O)(F)F ACF022155 [0,2,0,0,0,0|2,0,0]=4 103 B14R2.4507 NC=1C=C2C(C(NC2=CC1)=O)(F)F ACF022167 [0,2,0,0,0,0|2,0,0]=4 104 B14R2.7970 FC=1C=CC=C2C(C(NC12)=O)(C)C ACF022636 [0,2,0,0,0,0|2,0,0]=4 105 B14R2.3274 C(C)C=1C=C2C(C(NC2=CC1)=O)=O ACS019299 [0,2,0,0,0,0|1,0,1]=4 106 B14R2.8620 FC1=C2C(C(NC2=C(C=C1)Br)=O)=O ACF012384 [0,2,0,0,0,0|1,0,1]=4 107 B14R2.11645 C(C)C=1C=CC=C2C(C(NC12)=O)=O ACS018930 [0,2,0,0,0,0|1,0,1]=4 108 B12R2.24 O1C2=C(NC(C1)=O)N=CC=C2 ACS023946 [0,0,1,1,0,0|2,0,0]=4 109 B12R2.24 O1CC(NC2=C1C=CC=C2)=O ACS011909 [0,0,1,1,0,0|1,0,0]=3 110 B12R1.27 C(C1=CC=CC=C1)NC(CCl)=O ACS014089 [0,0,1,0,0,1|2,0,0]=4