0 B11R2.1 BrC1=NNC2=NC=CC=C21 ACS017797 [1,0,0,0,0,0|3,0,0]=4 1 B11R2.1 CC1=NNC2=NC=CC=C21 ACS017799 [1,0,0,0,0,0|3,0,0]=4 2 B11R2.1 FC1=CNC2=NC=CC=C21 ACF021934 [1,0,0,0,0,0|2,0,0]=3 3 B11R2.1 FC1=CNC=2N=CN=CC21 ACF022002 [1,0,0,0,0,0|3,0,0]=4 4 B11R2.1 IC1=NNC2=NC=CC=C21 ACS017798 [1,0,0,0,0,0|3,0,0]=4 5 B11R2.10 C1C(CC2=CC=CC=C12)=O ACS015485 [1,0,0,0,0,0|3,0,0]=4 6 B11R2.10 CC=1NC2=CC=CC=C2C1 ACS011044 [1,0,0,0,0,0|3,0,0]=4 7 B11R2.10 CC=1OC=2C(=NC=CC2)N1 ACS020926 [1,0,0,0,0,0|2,0,1]=4 8 B11R2.10 ClC=1NC2=C(N1)C=CC=C2 ACS011055 [1,0,0,0,0,0|2,0,1]=4 9 B11R2.10 ClC=1NC=2C(=NC=CC2)N1 ACS023940 [1,0,0,0,0,0|1,0,1]=3 10 B11R2.10 ClC=1OC2=NC=CC=C2N1 ACS019247 [1,0,0,0,0,0|2,0,1]=4 11 B11R2.10 N1=C(OC2=NC=CC=C21)N ACS019246 [1,0,0,0,0,0|2,0,1]=4 12 B11R2.10 N1C(=NC2=NC=CC=C21)N ACS019249 [1,0,0,0,0,0|1,0,1]=3 13 B11R2.10 N1C(NC2=NC=CC=C21)=O ACS024033 [1,0,0,0,0,0|0,0,0]=1 14 B11R2.10 NC=1NC2=C(N1)C=CC=C2 ACS011188 [1,0,0,0,0,0|2,0,1]=4 15 B11R2.10 O1C(CC2=C1C=CC=C2)=O ACS012026 [1,0,0,0,0,0|3,0,0]=4 16 B11R2.10 SC=1NC2=C(N1)C=CC=C2 ACS011577 [1,0,0,0,0,0|1,1,1]=4 17 B13R2.359 FC1(C(NC2=CC=CC=C12)=O)F ACF022154 [0,1,0,0,0,0|3,0,0]=4 18 B13R2.359 FC1(C(NC2=NC=CC=C21)=O)F ACF021927 [0,1,0,0,0,0|2,0,0]=3 19 B13R2.359 FC1(C(NC=2N=CN=CC21)=O)F ACF022004 [0,1,0,0,0,0|3,0,0]=4 20 B13R2.3028 ClC=1C=C2C(C(NC2=CC1)=O)=O ACS011581 [0,1,0,0,0,0|2,0,1]=4 21 B13R2.3028 FC=1C=C2C(C(NC2=CC1)=O)=O ACF010210 [0,1,0,0,0,0|2,0,1]=4 22 B13R2.4825 FC=1C=CC=C2C(C(NC12)=O)=O ACF015474 [0,1,0,0,0,0|2,0,1]=4 23 B13R2.4825 FC=1C=CC=C2C(C(NC12)=O)C ACF022638 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.36 OC(C(=O)O)C1=CC=CC=C1 ACS012974 [0,0,1,0,0,0|3,0,0]=4 25 B11R1.40 C1(=CC=CC=C1)OC(NC)=O ACS017176 [0,0,1,0,0,0|3,0,0]=4 26 B13R2.369 CC1=C(C=C2C=CC=NC2=C1)O ACS020406 [0,0,0,0,0,1|3,0,0]=4 27 B13R2.369 CC1OC2=C(NC1=O)C=CC=C2 ACS023948 [0,0,0,0,0,1|3,0,0]=4 28 B10R1.18 C1(=CC=CC=C1)CC(=O)O ACS012991 [1,0,1,0,0,0|2,0,0]=4 29 B10R1.18 N1=C(C=CC=C1)CC(=O)O ACS015242 [1,0,1,0,0,0|1,0,0]=3 30 B10R1.20 C(=O)C1=C(C#N)C=CC=N1 ACS019454 [1,0,1,0,0,0|2,0,0]=4 31 B10R1.61 BrC1=NC=CC=C1C(=O)O ACS010747 [1,0,1,0,0,0|2,0,0]=4 32 B10R1.61 CC1=C(C(=O)O)C=CC=N1 ACS010343 [1,0,1,0,0,0|2,0,0]=4 33 B10R1.61 ClC1=NC=CC=C1C(=O)O ACS015174 [1,0,1,0,0,0|2,0,0]=4 34 B10R1.61 IC1=C(C(=O)O)C=CC=N1 ACS020167 [1,0,1,0,0,0|2,0,0]=4 35 B10R1.61 NC1=C(C(=O)O)C=CC=C1 ACS013040 [1,0,1,0,0,0|2,0,0]=4 36 B10R1.61 NC1=C(C(=O)O)C=CC=N1 ACS010065 [1,0,1,0,0,0|1,0,0]=3 37 B10R1.61 NC1=NC=CC=C1[N+](=O)[O-] ACS010088 [1,0,1,0,0,0|0,0,2]=4 38 B10R1.61 NC=1C(=NC=CN1)C(=O)O ACS015308 [1,0,1,0,0,0|2,0,0]=4 39 B10R1.61 OC1=C(C(=O)O)C=CC=N1 ACS010374 [1,0,1,0,0,0|2,0,0]=4 40 B10R2.7 N1=CNC2=C1C=CC=C2 ACS015425 [2,0,0,0,0,0|1,0,1]=4 41 B10R2.7 N1C=CC2=CC=CC=C12 ACS015484 [2,0,0,0,0,0|2,0,0]=4 42 B10R2.7 N1C=CC=2C1=NC=CC2 ACS015502 [2,0,0,0,0,0|1,0,0]=3 43 B10R2.7 N1CCC=2C1=NC=CC2 ACS024120 [2,0,0,0,0,0|1,0,1]=4 44 B10R2.7 N1N=CC2=NC=CC=C21 ACS018965 [2,0,0,0,0,0|2,0,0]=4 45 B10R2.7 N1N=CC=2C1=NC=CC2 ACS017536 [2,0,0,0,0,0|2,0,0]=4 46 B10R2.7 S1C=CC=2C1=NC=CC2 ACS017717 [2,0,0,0,0,0|2,0,0]=4 47 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO ACS011024 [1,1,0,0,0,0|2,0,0]=4 48 B12R2.132 BrC1=CNC2=NC=C(C=C21)F ACF021065 [1,1,0,0,0,0|2,0,0]=4 49 B12R2.132 BrC=1C=C2C(=NC1)C=CN2C ACS020755 [1,1,0,0,0,0|2,0,0]=4 50 B12R2.132 BrC=1C=C2C(=NC1)NC=C2F ACF021991 [1,1,0,0,0,0|2,0,0]=4 51 B12R2.132 ClC1=CNC2=NC=C(C=C21)F ACF021965 [1,1,0,0,0,0|2,0,0]=4 52 B12R2.132 ClC=1C=C2C(=NC1)NC=C2F ACF021992 [1,1,0,0,0,0|2,0,0]=4 53 B12R2.132 FC1=CNC2=NC=C(C=C21)N ACF021994 [1,1,0,0,0,0|2,0,0]=4 54 B12R2.132 FC=1C=C2C(=NC1)NC=C2C ACF022009 [1,1,0,0,0,0|2,0,0]=4 55 B12R2.132 FC=1C=C2C(=NC1)NC=C2I ACF021066 [1,1,0,0,0,0|2,0,0]=4 56 B12R2.132 FC=1C=C2C(=NC1)NC=C2N ACF021964 [1,1,0,0,0,0|2,0,0]=4 57 B12R2.203 BrC1=C2C(=NC=C1)NC=C2F ACF021990 [1,1,0,0,0,0|2,0,0]=4 58 B12R2.203 BrC1=CNC2=NC=CC(=C21)F ACF021942 [1,1,0,0,0,0|2,0,0]=4 59 B12R2.203 ClC1=C2C(=NC=C1)NC=C2F ACF022245 [1,1,0,0,0,0|2,0,0]=4 60 B12R2.203 FC1=C2C(=NC=C1)NC=C2I ACF021943 [1,1,0,0,0,0|2,0,0]=4 61 B12R2.203 FC1=CNC=2N=CC=C(C21)N ACF021995 [1,1,0,0,0,0|2,0,0]=4 62 B12R2.612 BrC1=CNC2=NC(=CC=C21)F ACF021938 [1,1,0,0,0,0|2,0,0]=4 63 B12R2.612 ClC1=CC=C2C(=N1)NC=C2F ACF021996 [1,1,0,0,0,0|2,0,0]=4 64 B12R2.612 ClC1=CNC2=NC(=CC=C21)F ACF021978 [1,1,0,0,0,0|2,0,0]=4 65 B12R2.612 FC1=CC=C2C(=N1)NC=C2I ACF021939 [1,1,0,0,0,0|2,0,0]=4 66 B12R2.612 FC1=CC=C2C(=N1)NC=C2N ACF021977 [1,1,0,0,0,0|2,0,0]=4 67 B12R2.202 ClC1=C2NC(NC2=NC=N1)=O ACS020354 [1,1,0,0,0,0|1,0,0]=3 68 B12R2.202 ClC=1C2=C(N=CN1)NC(C2)=O ACS011659 [1,1,0,0,0,0|2,0,0]=4 69 B12R2.202 FC1=C2C(=NC=C1)NC(=C2)C ACF022215 [1,1,0,0,0,0|2,0,0]=4 70 B12R2.202 FC1=C2C(=NC=C1)NC(C2)=O ACF021142 [1,1,0,0,0,0|1,0,0]=3 71 B12R2.202 FC1=CC=CC2=C1NC(O2)=O ACF017199 [1,1,0,0,0,0|2,0,0]=4 72 B12R2.202 FC=1C=CC=C2CC(NC12)=O ACF015473 [1,1,0,0,0,0|2,0,0]=4 73 B12R2.606 BrC1=CC=C2CC(NC2=C1)=O ACS011028 [1,1,0,0,0,0|2,0,0]=4 74 B12R2.606 BrC=1C=C2C(=NC1)N=C(N2)C ACS019251 [1,1,0,0,0,0|1,0,1]=4 75 B12R2.606 BrC=1C=C2C(=NC1)NC(N2)=O ACS020922 [1,1,0,0,0,0|0,0,0]=2 76 B12R2.606 BrC=1C=CC2=C(NC(O2)=O)C1 ACS020350 [1,1,0,0,0,0|2,0,0]=4 77 B12R2.606 FC1=CC=C2C(=N1)NC(C2)=O ACF021926 [1,1,0,0,0,0|1,0,0]=3 78 B12R2.606 FC1=CC=C2CC(NC2=C1)=O ACF010212 [1,1,0,0,0,0|2,0,0]=4 79 B12R2.606 FC=1C=C2C(=NC1)NC(=C2)C ACF021966 [1,1,0,0,0,0|2,0,0]=4 80 B12R2.606 FC=1C=C2C(=NC1)NC(C2)=O ACF021143 [1,1,0,0,0,0|1,0,0]=3 81 B12R2.606 FC=1C=C2CC(NC2=CC1)=O ACF010211 [1,1,0,0,0,0|2,0,0]=4 82 B14R2.29369 ClC=1C=C2NCC(N(C2=CC1)C)=O ACS020744 [0,1,0,0,0,1|2,0,0]=4 83 B14R2.450 FC1=C(NC2=NC=CC=C21)C(=O)O ACF021931 [0,2,0,0,0,0|2,0,0]=4 84 B14R2.4507 BrC=1C=C2C(=NC1)NC(C2(F)F)=O ACF022246 [0,2,0,0,0,0|2,0,0]=4 85 B12R2.24 O1C2=C(NC(C1)=O)N=CC=C2 ACS023946 [0,0,1,1,0,0|1,0,0]=3 86 B12R2.24 O1CC(NC2=C1C=CC=C2)=O ACS011909 [0,0,1,1,0,0|2,0,0]=4