0 B10R1.17 c1ccc(cc1)C#CC=O LS11729 [1,0,0,0,0,0|0,0,2]=3 1 B10R1.18 CC(=O)Cc1ccncc1 LS00130 [1,0,0,0,0,0|1,0,1]=3 2 B10R1.18 c1ccc(cc1)CC(=O)N LS11701 [1,0,0,0,0,0|1,0,1]=3 3 B12R1.43 CC(C(=O)O)Nc1ccccc1 LS10086 [0,1,0,0,0,0|1,0,1]=3 4 B12R1.43 C\C(=C/c1ccccc1)\[N+](=O)[O-] LS11815 [0,1,0,0,0,0|1,0,0]=2 5 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 LS21014 [0,0,0,1,0,0|2,0,0]=3 6 B12R2.24 Cc1ccc2c(c1)nccn2 LS20082 [0,0,0,1,0,0|3,0,0]=4 7 B12R2.24 Cc1ccc2ccccc2n1 LS20882 [0,0,0,1,0,0|2,0,0]=3 8 B12R2.24 c1cc2cc(ccc2nc1)Br LS20107 [0,0,0,1,0,0|3,0,0]=4 9 B12R2.24 c1cc2cc(ccc2nc1)Br LS20924 [0,0,0,1,0,0|3,0,0]=4 10 B12R2.24 c1cc2cc(ccc2nc1)N LS20703 [0,0,0,1,0,0|3,0,0]=4 11 B12R2.24 c1cc2cc(ccc2nc1)O LS20702 [0,0,0,1,0,0|3,0,0]=4 12 B12R2.24 c1cc2ccc(cc2nc1)Br LS20471 [0,0,0,1,0,0|3,0,0]=4 13 B12R2.24 c1cc2cnccc2cc1Br LS20209 [0,0,0,1,0,0|3,0,0]=4 14 B12R2.24 c1ccc2cc(ccc2c1)Br LS20581 [0,0,0,1,0,0|2,0,0]=3 15 B12R2.24 c1ccc2cnc(cc2c1)Cl LS20460 [0,0,0,1,0,0|3,0,0]=4 16 B12R2.24 c1ccc2cnc(cc2c1)N LS20125 [0,0,0,1,0,0|3,0,0]=4 17 B10R1.15 CC(CN)c1ccccc1 LS10637 [0,0,0,0,1,0|1,0,2]=4 18 B10R1.15 CC(CN)c1ccccc1 LS10638 [0,0,0,0,1,0|1,0,2]=4 19 B10R1.15 C[C@@H](CN)c1ccccc1 LS30174 [0,0,0,0,1,0|1,0,2]=4 20 B10R1.15 C[C@H](CN)c1ccccc1 LS30173 [0,0,0,0,1,0|1,0,2]=4 21 B10R1.15 c1ccc(cc1)C(=O)CBr LS11352 [0,0,0,0,1,0|2,0,1]=4 22 B10R1.15 c1ccc(cc1)C(=O)CCl LS11677 [0,0,0,0,1,0|2,0,1]=4 23 B10R1.15 c1ccc(cc1)C(=O)CO LS10613 [0,0,0,0,1,0|1,0,2]=4 24 B9R1.8 CNNc1ccccc1 LS10173 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.8 c1cc(cnc1)CC=O LS21221 [2,0,0,0,0,0|1,0,1]=4 26 B11R1.91 CC(=O)CCc1ccccc1 LS10597 [1,1,0,0,0,0|0,0,2]=4 27 B11R1.91 c1cc(cnc1)\C=C\C(=O)O LS20492 [1,1,0,0,0,0|1,0,0]=3 28 B11R1.91 c1ccc(cc1)COC(=O)N LS40379 [1,1,0,0,0,0|1,0,1]=4 29 B11R1.91 c1ccc(cc1)\C=C\C(=O)O LS00072 [1,1,0,0,0,0|0,0,0]=2 30 B11R1.20 CC(=O)Cc1ccc(cc1)Br LS11255 [1,1,0,0,0,0|0,0,1]=3 31 B11R1.20 CC(=O)Cc1ccc(cc1)Cl LS11258 [1,1,0,0,0,0|0,0,1]=3 32 B11R1.20 CC(=O)Cc1ccc(cc1)F LS11260 [1,1,0,0,0,0|0,0,1]=3 33 B11R1.20 CC(=O)Oc1ccc(cc1)F LS10377 [1,1,0,0,0,0|1,0,0]=3 34 B11R1.20 Cc1ccc(cc1)CC(=O)C LS11261 [1,1,0,0,0,0|0,0,1]=3 35 B11R1.20 Cc1ccc(cc1)NC(=O)C LS11875 [1,1,0,0,0,0|1,0,0]=3 36 B11R1.20 c1cc(ccc1CC(=O)N)O LS11370 [1,1,0,0,0,0|1,0,1]=4 37 B11R1.20 c1cc(ccc1CC(=O)O)Br LS10304 [1,1,0,0,0,0|1,0,1]=4 38 B11R1.20 c1cc(ccc1CC(=O)O)O LS10592 [1,1,0,0,0,0|1,0,1]=4 39 B11R1.36 CC(c1ccccc1)C(=O)O LS10633 [1,1,0,0,0,0|1,0,1]=4 40 B11R1.36 C[C@H](c1ccccc1)C(=O)O LS30098 [1,1,0,0,0,0|1,0,1]=4 41 B11R1.36 c1ccc(cc1)C(C(=O)O)O LS00073 [1,1,0,0,0,0|1,0,1]=4 42 B11R1.86 CC(=O)Cc1ccccc1Br LS11253 [1,1,0,0,0,0|0,0,1]=3 43 B11R1.86 CC(=O)Cc1ccccc1Cl LS11256 [1,1,0,0,0,0|0,0,1]=3 44 B11R1.86 CC(=O)Cc1ccccc1F LS11259 [1,1,0,0,0,0|0,0,1]=3 45 B11R1.86 c1ccc(c(c1)CC(=O)O)O LS10642 [1,1,0,0,0,0|1,0,1]=4 46 B11R1.157 CC(=O)Cc1cccc(c1)Br LS11254 [1,1,0,0,0,0|0,0,1]=3 47 B11R1.157 CC(=O)Cc1cccc(c1)Cl LS11257 [1,1,0,0,0,0|0,0,1]=3 48 B11R1.157 CC(=O)Nc1cccc(n1)N LS20129 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.509 CS(=O)(=O)Nc1ccccc1 LS40014 [1,1,0,0,0,0|2,0,0]=4 50 B13R1.133 C[C@H](C(=O)O)Oc1ccc(cc1)O LS30251 [0,2,0,0,0,0|1,0,1]=4 51 B11R2.10 CC1=Cc2ccccc2C1 LS00050 [1,0,0,1,0,0|0,0,1]=3 52 B11R2.10 c1ccc2c(c1)CC(=O)O2 LS40288 [1,0,0,1,0,0|1,0,0]=3 53 B13R2.57 c1cc2cc(ccc2nc1)C=O LS00079 [0,0,0,1,0,1|1,0,1]=4 54 B13R2.57 c1ccc2cc(ccc2c1)C=O LS40773 [0,0,0,1,0,1|0,0,1]=3 55 B13R2.328 c1ccc2c(c1)cc(nc2Cl)Cl LS20299 [0,1,0,1,0,0|2,0,0]=4 56 B13R2.435 c1ccc2c(c1)CC(N2)C(=O)O LS20412 [0,1,0,1,0,0|1,0,1]=4 57 B13R2.435 c1ccc2c(c1)C[C@H](N2)C(=O)O LS30268 [0,1,0,1,0,0|1,0,1]=4 58 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)O LS40345 [0,1,0,1,0,0|1,0,0]=3 59 B13R2.3028 c1cc2c(cc1Br)C(=O)C(=O)N2 LS20870 [0,1,0,1,0,0|2,0,0]=4 60 B13R2.3028 c1cc2c(cc1F)C(=O)C(=O)N2 LS40277 [0,1,0,1,0,0|2,0,0]=4 61 B13R2.3683 c1cc(cc2c1cc(cc2)Br)Br LS11863 [0,1,0,1,0,0|2,0,0]=4 62 B13R2.54 Cc1cccn2c1nc(c2)C=O LS40132 [0,1,0,1,0,0|2,0,0]=4 63 B13R2.155 c1cc(cc2c1ccc(c2)Br)Br LS11864 [0,1,0,1,0,0|2,0,0]=4 64 B13R2.155 c1cc(cc2c1ccc(c2)Br)O LS40964 [0,1,0,1,0,0|2,0,0]=4 65 B13R2.4856 c1cc2c(c(c1)Br)C(=O)C(=O)N2 LS20918 [0,1,0,1,0,0|2,0,0]=4 66 B13R2.4856 c1cc2c(c(c1)Cl)C(=O)C(=O)N2 LS20922 [0,1,0,1,0,0|2,0,0]=4 67 B13R2.4856 c1cc2c(c(c1)F)C(=O)C(=O)N2 LS20919 [0,1,0,1,0,0|2,0,0]=4 68 B13R2.5190 c1cc2c(cc1Br)NC(=O)C2=O LS20914 [0,1,0,1,0,0|2,0,0]=4 69 B13R2.5190 c1cc2c(cc1Cl)NC(=O)C2=O LS20866 [0,1,0,1,0,0|2,0,0]=4 70 B13R2.5190 c1cc2c(cc1F)NC(=O)C2=O LS20915 [0,1,0,1,0,0|2,0,0]=4 71 B13R2.4825 CC1Cc2c(cccc2Br)C1=O LS41119 [0,1,0,1,0,0|0,0,2]=4 72 B13R2.4825 Cc1cccc2c1NC(=O)C2=O LS20909 [0,1,0,1,0,0|2,0,0]=4 73 B13R2.4825 c1cc2c(c(c1)Br)NC(=O)C2=O LS20907 [0,1,0,1,0,0|2,0,0]=4 74 B13R2.4825 c1cc2c(c(c1)F)NC(=O)C2=O LS20916 [0,1,0,1,0,0|2,0,0]=4 75 B9R1.6 CC(=O)c1cccnc1 LS20960 [1,0,0,0,1,0|1,0,0]=3 76 B9R1.6 C[C@@H](c1ccccc1)N LS30171 [1,0,0,0,1,0|1,0,1]=4 77 B9R1.6 C[C@H](c1ccccc1)N LS30099 [1,0,0,0,1,0|1,0,1]=4 78 B9R1.6 c1ccc(cc1)C(=N)N LS10719 [1,0,0,0,1,0|2,0,0]=4 79 B9R1.6 c1ccc(cc1)C(=O)O LS41489 [1,0,0,0,1,0|1,0,0]=3 80 B9R1.6 c1ccc(cc1)C(=S)N LS10766 [1,0,0,0,1,0|1,1,0]=4