0 B16R2.23521 CC(=O)c1cc2cc(ccc2cc1O)Br 1458a_100009814095_200000210301 [0,0,0,0,0,0|3,1,0]=4 1 B16R2.23521 CC(=O)c1cc2cc(ccc2oc1=O)O 271570a_203496583355_100000185660 [0,0,0,0,0,0|4,0,0]=4 2 B16R2.23521 [13CH3]C(=O)c1cc2cc(ccc2cc1O)Br 1458a_100009814095_200025704644 [0,0,0,0,0,0|3,1,0]=4 3 B15R2.984 C=C(C)c1cc2ccccc2nc1Cl 271570a_100000694244_100010220712 [1,0,0,0,0,0|3,0,0]=4 4 B15R2.984 C=C(C)c1cc2ccccc2nc1F 271570a_100000694244_100011158909 [1,0,0,0,0,0|3,0,0]=4 5 B15R2.984 C=C(C)c1cc2ccccc2nc1N 271570a_100000694244_100010135404 [1,0,0,0,0,0|3,0,0]=4 6 B15R2.984 C=C(C)c1cc2ccccc2nc1O 271570a_100000694244_200009820883 [1,0,0,0,0,0|3,0,0]=4 7 B15R2.984 C=C(C)c1nc2ccccc2nc1C 271570a_100000694244_100000185947 [1,0,0,0,0,0|3,0,0]=4 8 B15R2.984 CC(=O)c1cc2ccccc2cc1Cl 1458a_100010003416_200000210301 [1,0,0,0,0,0|3,0,0]=4 9 B15R2.984 CC(=O)c1cc2ccccc2cc1O 1458a_100000212107_200000210301 [1,0,0,0,0,0|3,0,0]=4 10 B15R2.984 [13CH3]C(=O)c1cc2ccccc2cc1Cl 1458a_100010003416_200025704644 [1,0,0,0,0,0|3,0,0]=4 11 B15R2.984 [13CH3]C(=O)c1cc2ccccc2cc1O 1458a_100000212107_200025704644 [1,0,0,0,0,0|3,0,0]=4 12 B15R2.1824 Cc1ccc2nc(c(cc2c1)C=O)O 271570a_203496583355_100000009852 [1,0,0,0,0,0|2,0,0]=3 13 B15R2.1824 Cc1ccc2nc(c(cc2c1)CO)O 271570a_203496583355_100000012208 [1,0,0,0,0,0|2,0,1]=4 14 B15R2.1824 O=Cc1cc2cc(ccc2nc1O)F 271570a_203496583355_100000010802 [1,0,0,0,0,0|1,1,0]=3 15 B15R2.7174 C=C(C)c1cnc2ccc(cc2c1)Br 271570a_100000694244_100010740133 [1,0,0,0,0,0|2,1,0]=4 16 B15R2.7174 C=C(C)c1cnc2ccc(cc2c1)C 271570a_100000694244_100015841224 [1,0,0,0,0,0|3,0,0]=4 17 B15R2.7174 C=C(C)c1cnc2ccc(cc2c1)Cl 271570a_100000694244_100015929906 [1,0,0,0,0,0|2,0,0]=3 18 B15R2.7174 C=C(C)c1cnc2ccc(cc2c1)N 271570a_100000694244_100009888932 [1,0,0,0,0,0|3,0,0]=4 19 B15R2.7174 C=C(C)c1cnc2ccc(cc2c1)O 271570a_100000694244_100010137430 [1,0,0,0,0,0|3,0,0]=4 20 B15R2.7174 CC(=O)C1=Cc2cc(ccc2OC1)Cl 1458a_100000020880_200000210301 [1,0,0,0,0,0|2,0,1]=4 21 B15R2.7174 CC(=O)c1ccc2ccc(cc2c1)Br 1458a_200010152650_200000210301 [1,0,0,0,0,0|2,1,0]=4 22 B15R2.7174 [13CH3]C(=O)C1=Cc2cc(ccc2OC1)Cl 1458a_100000020880_200025704644 [1,0,0,0,0,0|2,0,1]=4 23 B15R2.7174 [13CH3]C(=O)c1ccc2ccc(cc2c1)Br 1458a_200010152650_200025704644 [1,0,0,0,0,0|2,1,0]=4 24 B17R2.58255 COC(=O)c1cc2cc(ccc2cc1O)O 271570a_203496583355_100010882380 [0,1,0,0,0,0|3,0,0]=4 25 B15R1.5732 O=C(O)C(=Cc1cccc(c1)Br)C(=O)O 6a_100000210085_100000189509 [0,0,1,0,0,0|2,1,0]=4 26 B15R1.5732 O=C(O)C(=Cc1cccc(c1)F)C(=O)O 6a_100000210812_100000189509 [0,0,1,0,0,0|2,1,0]=4 27 B15R1.5732 O=C(O)C(=Cc1cccc(c1)I)C(=O)O 6a_100000014684_100000189509 [0,0,1,0,0,0|2,1,0]=4 28 B15R1.5732 O=C(O)C(=Cc1cncc(c1)Cl)C(=O)O 6a_100000088910_100000189509 [0,0,1,0,0,0|3,0,0]=4 29 B14R1.1865 COc1ccc(cc1C=CC(=O)C)Cl 1458a_100000188112_200000210301 [1,0,1,0,0,0|2,0,0]=4 30 B14R1.1865 COc1ccc(cc1C=CC(=O)[13CH3])Cl 1458a_100000188112_200025704644 [1,0,1,0,0,0|2,0,0]=4 31 B14R2.781 C=C(C)c1cnc2ccccc2c1 271570a_100000694244_100000737414 [2,0,0,0,0,0|2,0,0]=4 32 B14R2.781 CC(=O)c1ccc2ccccc2c1 1458a_100000210637_200000210301 [2,0,0,0,0,0|2,0,0]=4 33 B14R2.781 [13CH3]C(=O)c1ccc2ccccc2c1 1458a_100000210637_200025704644 [2,0,0,0,0,0|2,0,0]=4 34 B14R2.1128 C=Cc1cc2ccccc2nc1Cl 271570a_100011290941_100010220712 [2,0,0,0,0,0|2,0,0]=4 35 B14R2.1128 C=Cc1cc2ccccc2nc1F 271570a_100011290941_100011158909 [2,0,0,0,0,0|2,0,0]=4 36 B14R2.1128 C=Cc1cc2ccccc2nc1N 271570a_100011290941_100010135404 [2,0,0,0,0,0|2,0,0]=4 37 B14R2.1128 C=Cc1cc2ccccc2nc1O 271570a_100011290941_200009820883 [2,0,0,0,0,0|2,0,0]=4 38 B14R2.1128 C=Cc1nc2ccccc2nc1C 271570a_100011290941_100000185947 [2,0,0,0,0,0|2,0,0]=4 39 B14R2.1128 COc1cc2ccccc2nc1C 34a_200000079175_200000210301 [2,0,0,0,0,0|2,0,0]=4 40 B14R2.1128 COc1cc2ccccc2nc1C 7a_200000079175_200000210301 [2,0,0,0,0,0|2,0,0]=4 41 B14R2.1128 Cc1nc2ccccc2cc1O[13CH3] 34a_200000079175_200025704644 [2,0,0,0,0,0|2,0,0]=4 42 B14R2.1128 Cc1nc2ccccc2cc1O[13CH3] 7a_200000079175_200025704644 [2,0,0,0,0,0|2,0,0]=4 43 B14R2.1128 O=Cc1cc2ccccc2nc1O 271570a_203496583355_100000183649 [2,0,0,0,0,0|1,0,0]=3 44 B14R2.1128 OCc1cc2ccccc2nc1O 271570a_203496583355_100000754719 [2,0,0,0,0,0|1,0,1]=4 45 B14R2.134 C=Cc1cnc2ccc(cc2c1)Br 271570a_100011290941_100010740133 [2,0,0,0,0,0|1,1,0]=4 46 B14R2.134 C=Cc1cnc2ccc(cc2c1)C 271570a_100011290941_100015841224 [2,0,0,0,0,0|2,0,0]=4 47 B14R2.134 C=Cc1cnc2ccc(cc2c1)Cl 271570a_100011290941_100015929906 [2,0,0,0,0,0|1,0,0]=3 48 B14R2.134 C=Cc1cnc2ccc(cc2c1)N 271570a_100011290941_100009888932 [2,0,0,0,0,0|2,0,0]=4 49 B14R2.134 C=Cc1cnc2ccc(cc2c1)O 271570a_100011290941_100010137430 [2,0,0,0,0,0|2,0,0]=4 50 B14R2.134 CSc1cnc2ccc(cc2c1)Cl 62a_100015929906_200000210301 [2,0,0,0,0,0|2,0,0]=4 51 B14R2.134 CSc1cnc2ccc(cc2c1)Cl 62a_200000210301_100015929906 [2,0,0,0,0,0|2,0,0]=4 52 B14R2.134 O=Cc1ccc2ccc(cc2c1)O 271570a_203496583355_100010200085 [2,0,0,0,0,0|2,0,0]=4 53 B14R2.134 O=Cc1cnc2ccc(cc2c1)O 271570a_203496583355_100010174008 [2,0,0,0,0,0|1,0,0]=3 54 B14R2.134 [13CH3]Sc1cnc2ccc(cc2c1)Cl 62a_100015929906_200025704644 [2,0,0,0,0,0|2,0,0]=4 55 B14R2.134 [13CH3]Sc1cnc2ccc(cc2c1)Cl 62a_200025704644_100015929906 [2,0,0,0,0,0|2,0,0]=4 56 B16R1.54891 O=C(O)C(=Cc1cc(ccc1F)Cl)C(=O)O 6a_100000745245_100000189509 [0,1,1,0,0,0|2,0,0]=4 57 B16R1.54891 O=C(O)C(=Cc1cc(ccc1I)Cl)C(=O)O 6a_100010254386_100000189509 [0,1,1,0,0,0|2,0,0]=4 58 B16R1.5818 COC(=O)C(=Cc1cccc(c1)Br)C(=O)C 6a_100000210085_100000210079 [0,1,1,0,0,0|1,1,0]=4 59 B16R1.5818 COC(=O)C(=Cc1cccc(c1)Br)C(=O)O 6a_100000210085_100000211351 [0,1,1,0,0,0|1,1,0]=4 60 B16R1.5818 COC(=O)C(=Cc1cccc(c1)F)C(=O)C 6a_100000210812_100000210079 [0,1,1,0,0,0|1,1,0]=4 61 B16R1.5818 COC(=O)C(=Cc1cccc(c1)F)C(=O)O 6a_100000210812_100000211351 [0,1,1,0,0,0|1,1,0]=4 62 B16R1.5818 COC(=O)C(=Cc1cccc(c1)I)C(=O)C 6a_100000014684_100000210079 [0,1,1,0,0,0|1,1,0]=4 63 B16R1.5818 COC(=O)C(=Cc1cccc(c1)I)C(=O)O 6a_100000014684_100000211351 [0,1,1,0,0,0|1,1,0]=4 64 B16R1.5818 COC(=O)C(=Cc1cncc(c1)Cl)C(=O)C 6a_100000088910_100000210079 [0,1,1,0,0,0|2,0,0]=4 65 B16R1.5818 COC(=O)C(=Cc1cncc(c1)Cl)C(=O)O 6a_100000088910_100000211351 [0,1,1,0,0,0|2,0,0]=4 66 B16R1.5818 O=C(O)C(=Cc1cccc(c1)Br)C(=O)CCl 6a_100000210085_100015264206 [0,1,1,0,0,0|1,1,0]=4 67 B16R1.5818 O=C(O)C(=Cc1cccc(c1)F)C(=O)CCl 6a_100000210812_100015264206 [0,1,1,0,0,0|1,1,0]=4 68 B16R1.5818 O=C(O)C(=Cc1cccc(c1)I)C(=O)CCl 6a_100000014684_100015264206 [0,1,1,0,0,0|1,1,0]=4 69 B16R1.5818 O=C(O)C(=Cc1cncc(c1)Cl)C(=O)CCl 6a_100000088910_100015264206 [0,1,1,0,0,0|2,0,0]=4 70 B16R1.16604 Cc1ccc(cc1Cl)C=C(C(=O)O)C(=O)O 6a_100000760539_100000189509 [0,1,1,0,0,0|2,0,0]=4 71 B16R1.16604 O=C(O)C(=Cc1ccc(c(c1)Cl)Cl)C(=O)O 6a_100000188533_100000189509 [0,1,1,0,0,0|2,0,0]=4 72 B16R1.16604 O=C(O)C(=Cc1ccc(c(c1)Cl)F)C(=O)O 6a_100000742290_100000189509 [0,1,1,0,0,0|2,0,0]=4 73 B16R1.16604 O=C(O)C(=Cc1ccc(c(c1)Cl)O)C(=O)O 6a_100000186751_100000189509 [0,1,1,0,0,0|2,0,0]=4 74 B16R1.37874 Cc1cc(cc(c1)C=C(C(=O)O)C(=O)O)Cl 6a_100000684525_100000189509 [0,1,1,0,0,0|2,0,0]=4 75 B16R1.37874 O=C(O)C(=Cc1cc(cc(c1)Br)Cl)C(=O)O 6a_100011934515_100000189509 [0,1,1,0,0,0|2,0,0]=4 76 B16R1.37874 O=C(O)C(=Cc1cc(cc(c1)Cl)Cl)C(=O)O 6a_100000741761_100000189509 [0,1,1,0,0,0|2,0,0]=4 77 B16R1.37874 O=C(O)C(=Cc1cc(cc(c1)Cl)F)C(=O)O 6a_100000703917_100000189509 [0,1,1,0,0,0|2,0,0]=4 78 B16R1.37874 O=C(O)C(=Cc1cc(cc(c1)Cl)O)C(=O)O 6a_100000050827_100000189509 [0,1,1,0,0,0|2,0,0]=4 79 B16R2.1612 C=C(C)c1cc2ccccc2nc1OC 271570a_100000694244_100009820890 [1,1,0,0,0,0|2,0,0]=4 80 B16R2.1612 COc1cc2ccccc2cc1C(=O)C 1458a_100000185179_200000210301 [1,1,0,0,0,0|2,0,0]=4 81 B16R2.1612 COc1cc2ccccc2cc1C(=O)N 34a_200000192805_200000210301 [1,1,0,0,0,0|2,0,0]=4 82 B16R2.1612 COc1cc2ccccc2cc1C(=O)N 7a_200000192805_200000210301 [1,1,0,0,0,0|2,0,0]=4 83 B16R2.1612 COc1cc2ccccc2cc1C(=O)[13CH3] 1458a_100000185179_200025704644 [1,1,0,0,0,0|2,0,0]=4 84 B16R2.1612 CSc1nc2ccccc2cc1B(O)O 62a_200000210301_200000043004 [1,1,0,0,0,0|1,0,1]=4 85 B16R2.1612 [13CH3]Oc1cc2ccccc2cc1C(=O)N 34a_200000192805_200025704644 [1,1,0,0,0,0|2,0,0]=4 86 B16R2.1612 [13CH3]Oc1cc2ccccc2cc1C(=O)N 7a_200000192805_200025704644 [1,1,0,0,0,0|2,0,0]=4 87 B16R2.1612 [13CH3]Sc1nc2ccccc2cc1B(O)O 62a_200025704644_200000043004 [1,1,0,0,0,0|1,0,1]=4 88 B16R2.33941 COC(=O)c1cc2ccccc2nc1O 271570a_203496583355_100000071358 [1,1,0,0,0,0|1,0,0]=3 89 B16R2.1461 C=Cc1nc2ccc(cc2cc1C=O)C 271570a_100011290941_100000009852 [1,1,0,0,0,0|1,0,1]=4 90 B16R2.1461 C=Cc1nc2ccc(cc2cc1C=O)F 271570a_100011290941_100000010802 [1,1,0,0,0,0|0,1,1]=4 91 B16R2.1461 CNc1nc2ccc(cc2cc1CO)C 27a_100102657272_100000012208 [1,1,0,0,0,0|1,0,1]=4 92 B16R2.1461 CSc1nc2ccc(cc2cc1C=O)C 62a_200000210301_100000009852 [1,1,0,0,0,0|1,0,0]=3 93 B16R2.1461 CSc1nc2ccc(cc2cc1C=O)F 62a_200000210301_100000010802 [1,1,0,0,0,0|0,1,0]=3 94 B16R2.1461 CSc1nc2ccc(cc2cc1CO)C 62a_200000210301_100000012208 [1,1,0,0,0,0|1,0,1]=4 95 B16R2.1461 Cc1ccc2nc(c(cc2c1)C=O)S[13CH3] 62a_200025704644_100000009852 [1,1,0,0,0,0|1,0,0]=3 96 B16R2.1461 Cc1ccc2nc(c(cc2c1)CO)S[13CH3] 62a_200025704644_100000012208 [1,1,0,0,0,0|1,0,1]=4 97 B16R2.1461 [13CH3]Sc1nc2ccc(cc2cc1C=O)F 62a_200025704644_100000010802 [1,1,0,0,0,0|0,1,0]=3 98 B16R2.37661 COc1ccc2nc(c(cc2c1)C=O)O 271570a_203496583355_100000182575 [1,1,0,0,0,0|2,0,0]=4 99 B16R2.192589 Cc1cc(c2nc(c(cc2c1)C=O)O)C 271570a_203496583355_100000066862 [1,1,0,0,0,0|2,0,0]=4 100 B16R2.192946 Cc1cc2cc(c(nc2cc1C)O)C=O 271570a_203496583355_100000066863 [1,1,0,0,0,0|2,0,0]=4 101 B18R2.104310 COC(=O)c1cc2cc(ccc2cc1OC)Br 34a_100010882380_200000210301 [0,2,0,0,0,0|1,1,0]=4 102 B18R2.104310 COC(=O)c1cc2cc(ccc2cc1OC)Br 7a_100010882380_200000210301 [0,2,0,0,0,0|1,1,0]=4 103 B18R2.104310 COC(=O)c1cc2cc(ccc2cc1O[13CH3])Br 34a_100010882380_200025704644 [0,2,0,0,0,0|1,1,0]=4 104 B18R2.104310 COC(=O)c1cc2cc(ccc2cc1O[13CH3])Br 7a_100010882380_200025704644 [0,2,0,0,0,0|1,1,0]=4 105 B18R2.81880 CCOC(=O)c1cc2cc(ccc2nc1C)O 271570a_203496583355_100020622226 [0,2,0,0,0,0|1,0,0]=3 106 B16R2.11911 Cc1noc(c1Sc2cccc(c2)Cl)C 62a_100000694658_100000699651 [0,0,1,1,0,0|2,0,0]=4 107 B16R2.11911 Cc1noc(c1Sc2cccc(c2)Cl)C 62a_100000699651_100000694658 [0,0,1,1,0,0|2,0,0]=4 108 B16R2.11911 Cc1noc(c1Sc2cccc(c2)Cl)N 62a_100000699651_100000754107 [0,0,1,1,0,0|2,0,0]=4 109 B16R2.11911 Cc1noc(c1Sc2cccc(c2)Cl)N 62a_100000754107_100000699651 [0,0,1,1,0,0|2,0,0]=4 110 B14R2.450 CC(=O)C1=C(c2ccccc2C1)C 1458a_200000242466_200000210301 [1,0,0,0,1,0|1,0,1]=4 111 B14R2.450 CC1=C(Cc2c1cccc2)C(=O)[13CH3] 1458a_200000242466_200025704644 [1,0,0,0,1,0|1,0,1]=4 112 B14R2.19008 Cn1nc2ccc(cc2c1C=O)O 271570a_203496583355_100010240407 [1,0,0,0,1,0|2,0,0]=4 113 B16R2.3989 CC(=O)Cc1cc2ccccc2nc1Cl 1458a_100000070787_100000189640 [1,0,0,0,0,1|2,0,0]=4 114 B16R2.11975 CC(=Cc1cnc2ccc(cc2c1)Cl)C 271570a_100102525489_100015929906 [1,0,0,0,0,1|2,0,0]=4