0 B12R2.18 CC1Cc2ccccc2N1N LS20139 [0,0,0,0,0,0|3,0,1]=4 1 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 LS21014 [0,0,0,0,0,0|1,0,1]=2 2 B11R2.1 c1cc2c(c[nH]c2nc1)Br LS40010 [1,0,0,0,0,0|3,0,0]=4 3 B11R2.10 CC1=Cc2ccccc2C1 LS00050 [1,0,0,0,0,0|3,0,0]=4 4 B11R2.10 c1ccc2c(c1)CC(=O)O2 LS40288 [1,0,0,0,0,0|2,0,0]=3 5 B11R2.10 c1ccc2c(c1)[nH]c(n2)N LS11771 [1,0,0,0,0,0|1,0,1]=3 6 B11R2.10 c1ccc2c(c1)[nH]c(n2)S LS21164 [1,0,0,0,0,0|0,1,1]=3 7 B11R2.10 c1ccc2c(c1)nc(o2)S LS40249 [1,0,0,0,0,0|1,1,1]=4 8 B13R2.3028 c1cc2c(cc1Br)C(=O)C(=O)N2 LS20870 [0,1,0,0,0,0|1,0,1]=3 9 B13R2.3028 c1cc2c(cc1F)C(=O)C(=O)N2 LS40277 [0,1,0,0,0,0|1,0,1]=3 10 B13R2.4825 Cc1cccc2c1NC(=O)C2=O LS20909 [0,1,0,0,0,0|1,0,1]=3 11 B13R2.4825 c1cc2c(c(c1)Br)NC(=O)C2=O LS20907 [0,1,0,0,0,0|1,0,1]=3 12 B13R2.4825 c1cc2c(c(c1)F)NC(=O)C2=O LS20916 [0,1,0,0,0,0|1,0,1]=3 13 B13R2.4856 c1cc2c(c(c1)Br)C(=O)C(=O)N2 LS20918 [0,1,0,0,0,0|1,0,1]=3 14 B13R2.4856 c1cc2c(c(c1)Cl)C(=O)C(=O)N2 LS20922 [0,1,0,0,0,0|1,0,1]=3 15 B13R2.4856 c1cc2c(c(c1)F)C(=O)C(=O)N2 LS20919 [0,1,0,0,0,0|1,0,1]=3 16 B13R2.5190 c1cc2c(cc1Br)NC(=O)C2=O LS20914 [0,1,0,0,0,0|1,0,1]=3 17 B13R2.5190 c1cc2c(cc1Cl)NC(=O)C2=O LS20866 [0,1,0,0,0,0|1,0,1]=3 18 B13R2.5190 c1cc2c(cc1F)NC(=O)C2=O LS20915 [0,1,0,0,0,0|1,0,1]=3 19 B11R1.36 CC(c1ccccc1)C(=O)O LS10633 [0,0,1,0,0,0|3,0,0]=4 20 B11R1.36 C[C@H](c1ccccc1)C(=O)O LS30098 [0,0,1,0,0,0|3,0,0]=4 21 B11R1.36 c1ccc(cc1)C(C(=O)O)O LS00073 [0,0,1,0,0,0|2,0,0]=3 22 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O LS40467 [0,0,0,0,0,1|2,0,0]=3 23 B10R1.18 c1ccc(cc1)CC(=O)N LS11701 [1,0,1,0,0,0|1,0,0]=3 24 B10R1.4 C=CCc1ccccc1O LS11683 [1,0,1,0,0,0|2,0,0]=4 25 B10R1.20 CCc1ccccc1C=O LS00084 [1,0,1,0,0,0|2,0,0]=4 26 B10R1.20 c1ccc(c(c1)C=O)C=O LS11855 [1,0,1,0,0,0|1,0,1]=4 27 B10R1.61 B(c1ccccc1N)(O)O LS10787 [1,0,1,0,0,0|1,0,1]=4 28 B10R1.61 CC(=O)c1ccccc1N LS10731 [1,0,1,0,0,0|2,0,0]=4 29 B10R1.61 Cc1ccccc1C(=O)O LS10119 [1,0,1,0,0,0|2,0,0]=4 30 B10R1.61 c1cc(c(nc1)C(=O)O)N LS00020 [1,0,1,0,0,0|2,0,0]=4 31 B10R1.61 c1cc(c(nc1)N)C(=O)O LS20530 [1,0,1,0,0,0|2,0,0]=4 32 B10R1.61 c1ccc(c(c1)C(=O)N)N LS11473 [1,0,1,0,0,0|2,0,0]=4 33 B10R1.61 c1ccc(c(c1)C(=O)O)Br LS10336 [1,0,1,0,0,0|2,0,0]=4 34 B10R1.61 c1ccc(c(c1)C(=O)O)Cl LS10675 [1,0,1,0,0,0|2,0,0]=4 35 B10R1.61 c1ccc(c(c1)C(=O)O)I LS00003 [1,0,1,0,0,0|2,0,0]=4 36 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] LS11572 [1,0,1,0,0,0|0,0,2]=4 37 B10R1.61 c1cncc(c1C(=O)O)N LS20439 [1,0,1,0,0,0|2,0,0]=4 38 B10R2.7 c1cc2c(cc[nH]2)nc1 LS21035 [2,0,0,0,0,0|2,0,0]=4 39 B10R2.7 c1cc2cc[nH]c2nc1 LS21042 [2,0,0,0,0,0|2,0,0]=4 40 B10R2.7 c1ccc2c(c1)CC=C2 LS11754 [2,0,0,0,0,0|2,0,0]=4 41 B10R2.7 c1ccc2c(c1)ccs2 LS40109 [2,0,0,0,0,0|2,0,0]=4 42 B10R2.7 c1ccc2c(c1)cn[nH]2 LS20969 [2,0,0,0,0,0|2,0,0]=4 43 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO LS20980 [1,1,0,0,0,0|1,0,0]=3 44 B12R2.202 c1cc2c(c(c1)Br)CC(=O)N2 LS40252 [1,1,0,0,0,0|1,0,0]=3 45 B12R2.202 c1cnc2c(c1Br)CC(=O)N2 LS40860 [1,1,0,0,0,0|2,0,0]=4 46 B12R2.606 Cc1cc2cc(ccc2[nH]1)Cl LS20088 [1,1,0,0,0,0|2,0,0]=4 47 B12R2.606 Cc1cc2cc(ccc2[nH]1)F LS20450 [1,1,0,0,0,0|2,0,0]=4 48 B12R2.606 c1cc(nc2c1CC(=O)N2)Cl LS40092 [1,1,0,0,0,0|2,0,0]=4 49 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 LS40256 [1,1,0,0,0,0|1,0,0]=3 50 B12R2.606 c1cc2c(cc1F)CC(=O)N2 LS20430 [1,1,0,0,0,0|1,0,0]=3 51 B12R2.606 c1cc2c(cc1F)NC(=O)C2 LS21155 [1,1,0,0,0,0|1,0,0]=3 52 B14R2.1146 c1ccc2c(c1)c(cc(=O)[nH]2)CBr LS40914 [0,1,0,0,0,1|2,0,0]=4 53 B14R2.8235 c1cc2c(cc1Br)c(=O)[nH]c(=O)[nH]2 LS40204 [0,1,0,0,0,1|1,0,1]=4 54 B14R2.8235 c1cc2c(cc1Br)c(=O)oc(=O)[nH]2 LS20891 [0,1,0,0,0,1|1,0,1]=4 55 B14R2.8235 c1cc2c(cc1Cl)c(=O)oc(=O)[nH]2 LS40303 [0,1,0,0,0,1|1,0,1]=4 56 B14R2.8235 c1cc2c(cc1F)c(=O)oc(=O)[nH]2 LS20895 [0,1,0,0,0,1|1,0,1]=4 57 B14R2.28480 c1cc2c(c(c1)Br)c(=O)oc(=O)[nH]2 LS20893 [0,1,0,0,0,1|1,0,1]=4 58 B14R2.28480 c1cc2c(c(c1)Cl)c(=O)oc(=O)[nH]2 LS20892 [0,1,0,0,0,1|1,0,1]=4 59 B14R2.28480 c1cc2c(c(c1)F)c(=O)oc(=O)[nH]2 LS20894 [0,1,0,0,0,1|1,0,1]=4 60 B14R2.29365 c1cc2c(cc1Cl)[nH]c(=O)oc2=O LS40365 [0,1,0,0,0,1|1,0,1]=4 61 B14R2.645 Cc1cc2c(cc1F)C(=O)C(=O)N2 LS41088 [0,2,0,0,0,0|1,0,1]=4 62 B14R2.645 Cc1cc2c(cc1F)NC(=O)C2=O LS41090 [0,2,0,0,0,0|1,0,1]=4 63 B14R2.4506 Cc1ccc2c(c1Br)C(=O)C(=O)N2 LS20921 [0,2,0,0,0,0|1,0,1]=4 64 B14R2.9184 Cc1cc(cc2c1NC(=O)C2=O)Br LS20910 [0,2,0,0,0,0|1,0,1]=4 65 B14R2.9184 Cc1cc(cc2c1NC(=O)C2=O)F LS41089 [0,2,0,0,0,0|1,0,1]=4 66 B14R2.9184 Cc1cc2c(c(c1)F)NC(=O)C2=O LS41093 [0,2,0,0,0,0|1,0,1]=4 67 B14R2.8620 Cc1ccc(c2c1C(=O)C(=O)N2)F LS41092 [0,2,0,0,0,0|1,0,1]=4 68 B14R2.8620 Cc1ccc(c2c1NC(=O)C2=O)Cl LS41095 [0,2,0,0,0,0|1,0,1]=4 69 B14R2.8620 Cc1ccc(c2c1NC(=O)C2=O)F LS41096 [0,2,0,0,0,0|1,0,1]=4 70 B14R2.8620 c1cc(c2c(c1Cl)C(=O)C(=O)N2)Cl LS20920 [0,2,0,0,0,0|1,0,1]=4 71 B14R2.8737 Cc1c(ccc2c1NC(=O)C2=O)F LS41091 [0,2,0,0,0,0|1,0,1]=4 72 B14R2.8737 Cc1ccc2c(c1F)NC(=O)C2=O LS40057 [0,2,0,0,0,0|1,0,1]=4 73 B14R2.8737 Cc1ccc2c(c1F)NC(=O)C2=O LS41094 [0,2,0,0,0,0|1,0,1]=4 74 B14R2.27750 c1c(cc(c2c1NC(=O)C2=O)F)F LS20912 [0,2,0,0,0,0|1,0,1]=4 75 B12R2.24 c1cc2c(nc1)NC(=O)CO2 LS40780 [0,0,1,1,0,0|2,0,0]=4 76 B12R2.24 c1ccc2c(c1)NC(=O)CO2 LS40207 [0,0,1,1,0,0|1,0,0]=3 77 B12R1.107 c1ccc(cc1)C(CC(=O)O)O LS11565 [0,0,1,0,0,1|2,0,0]=4