0 B15R1.28955 CC(=O)C(C)Nc1cc(c(c(c1)Br)C)Br 2230a_100009813276_100009814033 [0,0,0,0,0,0|4,0,0]=4 1 B15R1.28955 CC(=O)C(C)Nc1cc(c(c(c1)Br)C)Br 7a_100009813276_100000179758 [0,0,0,0,0,0|4,0,0]=4 2 B15R1.28955 CC(=O)C(C)Nc1cc(c(c(c1)Br)F)Br 2230a_100010209666_100009814033 [0,0,0,0,0,0|4,0,0]=4 3 B15R1.28955 CC(=O)C(C)Nc1cc(c(c(c1)Br)F)Br 7a_100010209666_100000179758 [0,0,0,0,0,0|4,0,0]=4 4 B15R1.28955 CC(=O)C(C)Nc1cc(c(c(c1)Br)O)C 7a_100010064301_100000179758 [0,0,0,0,0,0|4,0,0]=4 5 B15R1.28955 CC(=O)C(C)Oc1cc(c(c(c1)Br)C)Br 7a_100009813510_100000179758 [0,0,0,0,0,0|4,0,0]=4 6 B15R1.28955 CC(=O)C(C)Oc1cc(c(c(c1)Br)N)Br 7a_200010887395_100000179758 [0,0,0,0,0,0|4,0,0]=4 7 B15R1.28955 CC(=O)C(C)Sc1cc(c(c(c1)Br)C)Br 62a_100009814033_100011099977 [0,0,0,0,0,0|4,0,0]=4 8 B15R1.28955 CC(=O)C(C)Sc1cc(c(c(c1)Br)C)Br 62a_100011099977_100009814033 [0,0,0,0,0,0|4,0,0]=4 9 B15R1.28955 CC(=O)C(C)Sc1cc(c(c(c1)Br)O)C 62a_100009814033_100010982682 [0,0,0,0,0,0|4,0,0]=4 10 B15R1.28955 CC(=O)C(C)Sc1cc(c(c(c1)Br)O)C 62a_100010982682_100009814033 [0,0,0,0,0,0|4,0,0]=4 11 B15R1.28955 CC(Nc1cc(c(c(c1)Br)F)Br)C(=O)N 2230a_100010209666_100000702099 [0,0,0,0,0,0|4,0,0]=4 12 B15R1.28955 CC(Nc1cc(c(c(c1)Br)F)Br)C(=O)N 34a_100010209666_100000702099 [0,0,0,0,0,0|4,0,0]=4 13 B15R1.28955 CC(Nc1cc(c(c(c1)Br)F)Br)C(=O)N 7a_100010209666_100000702099 [0,0,0,0,0,0|4,0,0]=4 14 B15R1.28955 CC(Nc1cc(c(c(c1)Br)O)Br)C(=O)N 34a_200000186426_100000702099 [0,0,0,0,0,0|3,0,0]=3 15 B15R1.28955 CC(Oc1cc(c(c(c1)Br)N)Br)C(=O)N 34a_200010887395_100000702099 [0,0,0,0,0,0|4,0,0]=4 16 B15R1.28955 CC(Oc1cc(c(c(c1)Br)N)Br)C(=O)N 7a_200010887395_100000702099 [0,0,0,0,0,0|4,0,0]=4 17 B15R1.28955 Cc1c(cc(cc1Br)NC(C)C(=O)N)Br 2230a_100009813276_100000702099 [0,0,0,0,0,0|4,0,0]=4 18 B15R1.28955 Cc1c(cc(cc1Br)NC(C)C(=O)N)Br 34a_100009813276_100000702099 [0,0,0,0,0,0|4,0,0]=4 19 B15R1.28955 Cc1c(cc(cc1Br)NC(C)C(=O)N)Br 7a_100009813276_100000702099 [0,0,0,0,0,0|4,0,0]=4 20 B15R1.28955 Cc1c(cc(cc1Br)NC(F)C(=O)N)Br 2230a_100009813276_100009813875 [0,0,0,0,0,0|4,0,0]=4 21 B15R1.28955 Cc1c(cc(cc1Br)NC(F)C(=O)N)Br 34a_100009813276_100009813875 [0,0,0,0,0,0|4,0,0]=4 22 B15R1.28955 Cc1c(cc(cc1Br)NC(F)C(=O)N)Br 7a_100009813276_100009813875 [0,0,0,0,0,0|4,0,0]=4 23 B15R1.28955 Cc1c(cc(cc1Br)NC(F)C(=O)[O-])Br 34a_100009813276_100020610796 [0,0,0,0,0,0|3,0,1]=4 24 B15R1.28955 Cc1c(cc(cc1Br)OC(C)C(=O)N)Br 34a_100009813510_100000702099 [0,0,0,0,0,0|4,0,0]=4 25 B15R1.28955 Cc1c(cc(cc1Br)OC(C)C(=O)N)Br 7a_100009813510_100000702099 [0,0,0,0,0,0|4,0,0]=4 26 B15R1.28955 Cc1c(cc(cc1Br)OC(F)C(=O)N)Br 34a_100009813510_100009813875 [0,0,0,0,0,0|4,0,0]=4 27 B15R1.28955 Cc1c(cc(cc1Br)OC(F)C(=O)N)Br 7a_100009813510_100009813875 [0,0,0,0,0,0|4,0,0]=4 28 B15R1.28955 Cc1c(cc(cc1Br)OC(F)C(=O)[O-])Br 34a_100009813510_100020610796 [0,0,0,0,0,0|3,0,1]=4 29 B15R1.28955 Cc1c(cc(cc1Br)SC(C)C(=O)N)Br 62a_100000702099_100011099977 [0,0,0,0,0,0|4,0,0]=4 30 B15R1.28955 Cc1c(cc(cc1Br)SC(C)C(=O)N)Br 62a_100011099977_100000702099 [0,0,0,0,0,0|4,0,0]=4 31 B15R1.28955 Cc1c(cc(cc1Br)SC(F)C(=O)N)Br 62a_100009813875_100011099977 [0,0,0,0,0,0|4,0,0]=4 32 B15R1.28955 Cc1c(cc(cc1Br)SC(F)C(=O)N)Br 62a_100011099977_100009813875 [0,0,0,0,0,0|4,0,0]=4 33 B15R1.28955 Cc1c(cc(cc1Br)SC(F)C(=O)[O-])Br 62a_100011099977_100020610796 [0,0,0,0,0,0|3,0,1]=4 34 B15R1.28955 Cc1c(cc(cc1Br)SC(F)C(=O)[O-])Br 62a_100020610796_100011099977 [0,0,0,0,0,0|3,0,1]=4 35 B15R1.28955 Cc1cc(cc(c1O)Br)NC(C)C(=O)N 34a_100010064301_100000702099 [0,0,0,0,0,0|4,0,0]=4 36 B15R1.28955 Cc1cc(cc(c1O)Br)NC(C)C(=O)N 7a_100010064301_100000702099 [0,0,0,0,0,0|4,0,0]=4 37 B15R1.28955 Cc1cc(cc(c1O)Br)NC(F)C(=O)N 34a_100010064301_100009813875 [0,0,0,0,0,0|4,0,0]=4 38 B15R1.28955 Cc1cc(cc(c1O)Br)NC(F)C(=O)N 7a_100010064301_100009813875 [0,0,0,0,0,0|4,0,0]=4 39 B15R1.28955 Cc1cc(cc(c1O)Br)NC(F)C(=O)[O-] 34a_100010064301_100020610796 [0,0,0,0,0,0|3,0,1]=4 40 B15R1.28955 Cc1cc(cc(c1O)Br)SC(C)C(=O)N 62a_100000702099_100010982682 [0,0,0,0,0,0|4,0,0]=4 41 B15R1.28955 Cc1cc(cc(c1O)Br)SC(C)C(=O)N 62a_100010982682_100000702099 [0,0,0,0,0,0|4,0,0]=4 42 B15R1.28955 Cc1cc(cc(c1O)Br)SC(F)C(=O)N 62a_100009813875_100010982682 [0,0,0,0,0,0|4,0,0]=4 43 B15R1.28955 Cc1cc(cc(c1O)Br)SC(F)C(=O)N 62a_100010982682_100009813875 [0,0,0,0,0,0|4,0,0]=4 44 B15R1.28955 Cc1cc(cc(c1O)Br)SC(F)C(=O)[O-] 62a_100010982682_100020610796 [0,0,0,0,0,0|3,0,1]=4 45 B15R1.28955 Cc1cc(cc(c1O)Br)SC(F)C(=O)[O-] 62a_100020610796_100010982682 [0,0,0,0,0,0|3,0,1]=4 46 B15R1.28955 NC(=O)C(=O)Nc1cc(c(c(c1)Br)O)Br 22a_200000186426_100011215815 [0,0,0,0,0,0|3,0,1]=4 47 B15R1.28955 NC(=O)C(F)Nc1cc(c(c(c1)Br)F)Br 2230a_100010209666_100009813875 [0,0,0,0,0,0|4,0,0]=4 48 B15R1.28955 NC(=O)C(F)Nc1cc(c(c(c1)Br)F)Br 34a_100010209666_100009813875 [0,0,0,0,0,0|4,0,0]=4 49 B15R1.28955 NC(=O)C(F)Nc1cc(c(c(c1)Br)F)Br 7a_100010209666_100009813875 [0,0,0,0,0,0|4,0,0]=4 50 B15R1.28955 NC(=O)C(F)Nc1cc(c(c(c1)Br)O)Br 34a_200000186426_100009813875 [0,0,0,0,0,0|3,0,0]=3 51 B15R1.28955 NC(=O)C(F)Oc1cc(c(c(c1)Br)N)Br 34a_200010887395_100009813875 [0,0,0,0,0,0|4,0,0]=4 52 B15R1.28955 NC(=O)C(F)Oc1cc(c(c(c1)Br)N)Br 7a_200010887395_100009813875 [0,0,0,0,0,0|4,0,0]=4 53 B15R1.28955 Nc1c(cc(cc1Br)OC(F)C(=O)[O-])Br 34a_200010887395_100020610796 [0,0,0,0,0,0|3,0,1]=4 54 B15R1.28955 O=C([O-])C(F)Nc1cc(c(c(c1)Br)F)Br 34a_100010209666_100020610796 [0,0,0,0,0,0|3,0,1]=4 55 B15R1.28955 O=C([O-])C(F)Nc1cc(c(c(c1)Br)O)Br 34a_200000186426_100020610796 [0,0,0,0,0,0|2,0,1]=3 56 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)Br)O 62a_100009814033_100012361655 [1,0,0,0,0,0|3,0,0]=4 57 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)Br)O 62a_100012361655_100009814033 [1,0,0,0,0,0|3,0,0]=4 58 B14R1.686 CC(=O)C(O)Cc1ccc(c(c1)O)O 1458a_100020667051_200000210301 [1,0,0,0,0,0|3,0,0]=4 59 B14R1.686 CC(Nc1ccc(c(c1)Br)O)C(=O)N 34a_100011534360_100000702099 [1,0,0,0,0,0|3,0,0]=4 60 B14R1.686 CC(Sc1ccc(c(c1)Br)O)C(=O)N 62a_100000702099_100012361655 [1,0,0,0,0,0|3,0,0]=4 61 B14R1.686 CC(Sc1ccc(c(c1)Br)O)C(=O)N 62a_100012361655_100000702099 [1,0,0,0,0,0|3,0,0]=4 62 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)Br)O 34a_100011534360_100009813875 [1,0,0,0,0,0|3,0,0]=4 63 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)Br)O 62a_100009813875_100012361655 [1,0,0,0,0,0|3,0,0]=4 64 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)Br)O 62a_100012361655_100009813875 [1,0,0,0,0,0|3,0,0]=4 65 B14R1.686 O=C([O-])C(F)Nc1ccc(c(c1)Br)O 34a_100011534360_100020610796 [1,0,0,0,0,0|2,0,1]=4 66 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)Br)O 62a_100012361655_100020610796 [1,0,0,0,0,0|2,0,1]=4 67 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)Br)O 62a_100020610796_100012361655 [1,0,0,0,0,0|2,0,1]=4 68 B14R1.686 [13CH3]C(=O)C(O)Cc1ccc(c(c1)O)O 1458a_100020667051_200025704644 [1,0,0,0,0,0|3,0,0]=4 69 B14R1.708 CC(CO)Nc1cc(c(c(c1)Br)O)Br 34a_200000186426_100012180447 [1,0,0,0,0,0|2,0,1]=4 70 B14R1.4257 CC(=O)C(C)Nc1cc(cc(c1)Br)Br 7a_100012047176_100000179758 [1,0,0,0,0,0|3,0,0]=4 71 B14R1.4257 CC(=O)C(C)Oc1cc(cc(c1)Br)Br 7a_100010167048_100000179758 [1,0,0,0,0,0|3,0,0]=4 72 B14R1.4257 CC(=O)C(C)Sc1cc(cc(c1)Br)Br 62a_100009814033_100009814770 [1,0,0,0,0,0|3,0,0]=4 73 B14R1.4257 CC(=O)C(C)Sc1cc(cc(c1)Br)Br 62a_100009814770_100009814033 [1,0,0,0,0,0|3,0,0]=4 74 B14R1.4257 CC(Nc1cc(cc(c1)Br)Br)C(=O)N 34a_100012047176_100000702099 [1,0,0,0,0,0|3,0,0]=4 75 B14R1.4257 CC(Nc1cc(cc(c1)Br)Br)C(=O)N 7a_100012047176_100000702099 [1,0,0,0,0,0|3,0,0]=4 76 B14R1.4257 CC(Oc1cc(cc(c1)Br)Br)C(=O)N 34a_100010167048_100000702099 [1,0,0,0,0,0|3,0,0]=4 77 B14R1.4257 CC(Oc1cc(cc(c1)Br)Br)C(=O)N 7a_100010167048_100000702099 [1,0,0,0,0,0|3,0,0]=4 78 B14R1.4257 CC(Sc1cc(cc(c1)Br)Br)C(=O)N 62a_100000702099_100009814770 [1,0,0,0,0,0|3,0,0]=4 79 B14R1.4257 CC(Sc1cc(cc(c1)Br)Br)C(=O)N 62a_100009814770_100000702099 [1,0,0,0,0,0|3,0,0]=4 80 B14R1.4257 C[C@@H](Nc1cc(cc(c1)Br)Br)C(=O)N 27a_100000119354_100009814770 [1,0,0,0,0,0|3,0,0]=4 81 B14R1.4257 NC(=O)C(F)Nc1cc(cc(c1)Br)Br 34a_100012047176_100009813875 [1,0,0,0,0,0|3,0,0]=4 82 B14R1.4257 NC(=O)C(F)Nc1cc(cc(c1)Br)Br 7a_100012047176_100009813875 [1,0,0,0,0,0|3,0,0]=4 83 B14R1.4257 NC(=O)C(F)Oc1cc(cc(c1)Br)Br 34a_100010167048_100009813875 [1,0,0,0,0,0|3,0,0]=4 84 B14R1.4257 NC(=O)C(F)Oc1cc(cc(c1)Br)Br 7a_100010167048_100009813875 [1,0,0,0,0,0|3,0,0]=4 85 B14R1.4257 NC(=O)C(F)Sc1cc(cc(c1)Br)Br 62a_100009813875_100009814770 [1,0,0,0,0,0|3,0,0]=4 86 B14R1.4257 NC(=O)C(F)Sc1cc(cc(c1)Br)Br 62a_100009814770_100009813875 [1,0,0,0,0,0|3,0,0]=4 87 B14R1.4257 O=C([O-])C(F)Nc1cc(cc(c1)Br)Br 34a_100012047176_100020610796 [1,0,0,0,0,0|2,0,1]=4 88 B14R1.4257 O=C([O-])C(F)Oc1cc(cc(c1)Br)Br 34a_100010167048_100020610796 [1,0,0,0,0,0|2,0,1]=4 89 B14R1.4257 O=C([O-])C(F)Sc1cc(cc(c1)Br)Br 62a_100009814770_100020610796 [1,0,0,0,0,0|2,0,1]=4 90 B14R1.4257 O=C([O-])C(F)Sc1cc(cc(c1)Br)Br 62a_100020610796_100009814770 [1,0,0,0,0,0|2,0,1]=4 91 B14R1.15552 C=C(C)CNc1cc(c(c(c1)Br)O)Br 34a_200000186426_100000748629 [1,0,0,0,0,0|3,0,0]=4 92 B14R1.15552 C=C(F)CNc1cc(c(c(c1)Br)O)Br 34a_200000186426_100009893438 [1,0,0,0,0,0|3,0,0]=4 93 B14R1.15552 CC(=O)CCc1cc(c(c(c1)Br)O)Br 1458a_100009814134_200000210301 [1,0,0,0,0,0|1,0,0]=2 94 B14R1.15552 CC(=O)CCc1cc(c(c(c1)I)O)I 1458a_200000072802_200000210301 [1,0,0,0,0,0|1,2,0]=4 95 B14R1.15552 CC(O)CNc1cc(c(c(c1)Br)O)Br 34a_200000186426_100011218427 [1,0,0,0,0,0|2,0,1]=4 96 B14R1.15552 C[C@@H](O)CNc1cc(c(c(c1)Br)O)Br 34a_200000186426_100009817552 [1,0,0,0,0,0|2,0,1]=4 97 B14R1.15552 Cc1c(cc(cc1Br)NCC(=O)N)Br 2230a_100009813276_100000747473 [1,0,0,0,0,0|3,0,0]=4 98 B14R1.15552 Cc1c(cc(cc1Br)NCC(=O)N)Br 34a_100009813276_100000187820 [1,0,0,0,0,0|3,0,0]=4 99 B14R1.15552 Cc1c(cc(cc1Br)NCC(=O)N)Br 7a_100009813276_100000187820 [1,0,0,0,0,0|3,0,0]=4 100 B14R1.15552 Cc1c(cc(cc1Br)NCC(=O)[O-])Br 34a_100009813276_100020667443 [1,0,0,0,0,0|2,0,1]=4 101 B14R1.15552 Cc1c(cc(cc1Br)OCC(=O)N)Br 34a_100009813510_100000187820 [1,0,0,0,0,0|3,0,0]=4 102 B14R1.15552 Cc1c(cc(cc1Br)OCC(=O)N)Br 7a_100009813510_100000187820 [1,0,0,0,0,0|3,0,0]=4 103 B14R1.15552 Cc1c(cc(cc1Br)OCC(=O)[O-])Br 34a_100009813510_100020667443 [1,0,0,0,0,0|2,0,1]=4 104 B14R1.15552 Cc1c(cc(cc1Br)SCC(=O)N)Br 62a_100000747473_100011099977 [1,0,0,0,0,0|3,0,0]=4 105 B14R1.15552 Cc1c(cc(cc1Br)SCC(=O)N)Br 62a_100011099977_100000747473 [1,0,0,0,0,0|3,0,0]=4 106 B14R1.15552 Cc1c(cc(cc1Br)SCC(=O)[O-])Br 62a_100011099977_100020667443 [1,0,0,0,0,0|2,0,1]=4 107 B14R1.15552 Cc1c(cc(cc1Br)SCC(=O)[O-])Br 62a_100020667443_100011099977 [1,0,0,0,0,0|2,0,1]=4 108 B14R1.15552 Cc1cc(cc(c1O)Br)NCC(=O)N 34a_100010064301_100000187820 [1,0,0,0,0,0|3,0,0]=4 109 B14R1.15552 Cc1cc(cc(c1O)Br)NCC(=O)N 7a_100010064301_100000187820 [1,0,0,0,0,0|3,0,0]=4 110 B14R1.15552 Cc1cc(cc(c1O)Br)NCC(=O)[O-] 34a_100010064301_100020667443 [1,0,0,0,0,0|2,0,1]=4 111 B14R1.15552 Cc1cc(cc(c1O)Br)SCC(=O)N 62a_100000747473_100010982682 [1,0,0,0,0,0|3,0,0]=4 112 B14R1.15552 Cc1cc(cc(c1O)Br)SCC(=O)N 62a_100010982682_100000747473 [1,0,0,0,0,0|3,0,0]=4 113 B14R1.15552 Cc1cc(cc(c1O)Br)SCC(=O)[O-] 62a_100010982682_100020667443 [1,0,0,0,0,0|2,0,1]=4 114 B14R1.15552 Cc1cc(cc(c1O)Br)SCC(=O)[O-] 62a_100020667443_100010982682 [1,0,0,0,0,0|2,0,1]=4 115 B14R1.15552 NC(=O)CNc1cc(c(c(c1)Br)F)Br 2230a_100010209666_100000747473 [1,0,0,0,0,0|3,0,0]=4 116 B14R1.15552 NC(=O)CNc1cc(c(c(c1)Br)F)Br 34a_100010209666_100000187820 [1,0,0,0,0,0|3,0,0]=4 117 B14R1.15552 NC(=O)CNc1cc(c(c(c1)Br)F)Br 7a_100010209666_100000187820 [1,0,0,0,0,0|3,0,0]=4 118 B14R1.15552 NC(=O)CNc1cc(c(c(c1)Br)O)Br 34a_200000186426_100000187820 [1,0,0,0,0,0|2,0,0]=3 119 B14R1.15552 NC(=O)COc1cc(c(c(c1)Br)N)Br 34a_200010887395_100000187820 [1,0,0,0,0,0|3,0,0]=4 120 B14R1.15552 NC(=O)COc1cc(c(c(c1)Br)N)Br 7a_200010887395_100000187820 [1,0,0,0,0,0|3,0,0]=4 121 B14R1.15552 Nc1c(cc(cc1Br)OCC(=O)[O-])Br 34a_200010887395_100020667443 [1,0,0,0,0,0|2,0,1]=4 122 B14R1.15552 O=C([O-])CNc1cc(c(c(c1)Br)F)Br 34a_100010209666_100020667443 [1,0,0,0,0,0|2,0,1]=4 123 B14R1.15552 O=C([O-])CNc1cc(c(c(c1)Br)O)Br 34a_200000186426_100020667443 [1,0,0,0,0,0|1,0,1]=3 124 B14R1.15552 O=[N+]([O-])CNc1cc(c(c(c1)Br)O)Br 34a_200000186426_100000761209 [1,0,0,0,0,0|2,0,1]=4 125 B14R1.15552 [13CH3]C(=O)CCc1cc(c(c(c1)Br)O)Br 1458a_100009814134_200025704644 [1,0,0,0,0,0|1,0,0]=2 126 B14R1.15552 [13CH3]C(=O)CCc1cc(c(c(c1)I)O)I 1458a_200000072802_200025704644 [1,0,0,0,0,0|1,2,0]=4 127 B16R1.1627 CNC(=O)C(C)Nc1cc(c(c(c1)Br)O)Br 34a_200000186426_100000731044 [0,1,0,0,0,0|3,0,0]=4 128 B16R1.1627 CNC(=O)C(F)Nc1cc(c(c(c1)Br)O)Br 34a_200000186426_100009813575 [0,1,0,0,0,0|3,0,0]=4 129 B16R1.1627 COC(=O)C(=O)Nc1cc(c(c(c1)Br)O)Br 527a_200000186426_100000024059 [0,1,0,0,0,0|2,0,1]=4 130 B16R1.1627 COC(=O)C(C)Nc1cc(c(c(c1)Br)C)Br 2230a_100009813276_100000211248 [0,1,0,0,0,0|3,0,0]=4 131 B16R1.1627 COC(=O)C(C)Nc1cc(c(c(c1)Br)C)Br 34a_100009813276_100000211248 [0,1,0,0,0,0|3,0,0]=4 132 B16R1.1627 COC(=O)C(C)Nc1cc(c(c(c1)Br)C)Br 7a_100009813276_100000211248 [0,1,0,0,0,0|3,0,0]=4 133 B16R1.1627 COC(=O)C(C)Nc1cc(c(c(c1)Br)F)Br 2230a_100010209666_100000211248 [0,1,0,0,0,0|3,0,0]=4 134 B16R1.1627 COC(=O)C(C)Nc1cc(c(c(c1)Br)F)Br 34a_100010209666_100000211248 [0,1,0,0,0,0|3,0,0]=4 135 B16R1.1627 COC(=O)C(C)Nc1cc(c(c(c1)Br)F)Br 7a_100010209666_100000211248 [0,1,0,0,0,0|3,0,0]=4 136 B16R1.1627 COC(=O)C(C)Nc1cc(c(c(c1)Br)O)Br 34a_200000186426_100000211248 [0,1,0,0,0,0|2,0,0]=3 137 B16R1.1627 COC(=O)C(C)Nc1cc(c(c(c1)Br)O)C 34a_100010064301_100000211248 [0,1,0,0,0,0|3,0,0]=4 138 B16R1.1627 COC(=O)C(C)Nc1cc(c(c(c1)Br)O)C 7a_100010064301_100000211248 [0,1,0,0,0,0|3,0,0]=4 139 B16R1.1627 COC(=O)C(C)Oc1cc(c(c(c1)Br)C)Br 34a_100009813510_100000211248 [0,1,0,0,0,0|3,0,0]=4 140 B16R1.1627 COC(=O)C(C)Oc1cc(c(c(c1)Br)C)Br 7a_100009813510_100000211248 [0,1,0,0,0,0|3,0,0]=4 141 B16R1.1627 COC(=O)C(C)Oc1cc(c(c(c1)Br)N)Br 34a_200010887395_100000211248 [0,1,0,0,0,0|3,0,0]=4 142 B16R1.1627 COC(=O)C(C)Oc1cc(c(c(c1)Br)N)Br 7a_200010887395_100000211248 [0,1,0,0,0,0|3,0,0]=4 143 B16R1.1627 COC(=O)C(C)Sc1cc(c(c(c1)Br)C)Br 62a_100000211248_100011099977 [0,1,0,0,0,0|3,0,0]=4 144 B16R1.1627 COC(=O)C(C)Sc1cc(c(c(c1)Br)C)Br 62a_100011099977_100000211248 [0,1,0,0,0,0|3,0,0]=4 145 B16R1.1627 COC(=O)C(C)Sc1cc(c(c(c1)Br)O)C 62a_100000211248_100010982682 [0,1,0,0,0,0|3,0,0]=4 146 B16R1.1627 COC(=O)C(C)Sc1cc(c(c(c1)Br)O)C 62a_100010982682_100000211248 [0,1,0,0,0,0|3,0,0]=4 147 B16R1.2962 CCC(Nc1cc(c(c(c1)Br)O)Br)C(=O)N 34a_200000186426_100000750255 [0,1,0,0,0,0|3,0,0]=4 148 B16R1.2962 CNC(Cc1cc(c(c(c1)F)F)F)C(=O)O 269956a_100011217459_200000210301 [0,1,0,0,0,0|1,2,0]=4 149 B16R1.2962 CN[C@@H](Cc1cc(c(c(c1)Cl)O)Cl)C(=O)O 269956a_200016989187_200000210301 [0,1,0,0,0,0|0,2,0]=3 150 B16R1.2962 [13CH3]NC(Cc1cc(c(c(c1)F)F)F)C(=O)O 269956a_100011217459_200025704644 [0,1,0,0,0,0|1,2,0]=4 151 B16R1.2962 [13CH3]N[C@@H](Cc1cc(c(c(c1)Cl)O)Cl)C(=O)O 269956a_200016989187_200025704644 [0,1,0,0,0,0|0,2,0]=3 152 B16R1.36328 COc1c(cc(cc1Br)NC(C)C(=O)N)Br 34a_100011274243_100000702099 [0,1,0,0,0,0|3,0,0]=4 153 B16R1.36328 COc1c(cc(cc1Br)NC(F)C(=O)N)Br 34a_100011274243_100009813875 [0,1,0,0,0,0|3,0,0]=4 154 B16R1.36328 COc1c(cc(cc1Br)NC(F)C(=O)[O-])Br 34a_100011274243_100020610796 [0,1,0,0,0,0|2,0,1]=4 155 B16R1.52958 CC(=O)C(C)C(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_100000179758 [0,1,0,0,0,0|2,0,1]=4 156 B16R1.52958 CC(C(=O)N)C(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_100000702099 [0,1,0,0,0,0|2,0,1]=4 157 B16R1.52958 NC(=O)C(F)C(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_100009813875 [0,1,0,0,0,0|2,0,1]=4 158 B16R1.52958 O=C([O-])C(F)C(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_100020610796 [0,1,0,0,0,0|1,0,2]=4 159 B16R1.135375 CC(C)(Nc1cc(c(c(c1)Br)O)Br)C(=O)N 34a_200000186426_100000702505 [0,1,0,0,0,0|3,0,0]=4 160 B16R1.135375 O=C([O-])C(F)(F)Nc1cc(c(c(c1)Br)O)Br 34a_200000186426_100020612412 [0,1,0,0,0,0|2,0,1]=4 161 B16R2.96987 O=C1CCC1Nc2cc(c(c(c2)Br)O)Br 34a_200000186426_100009892977 [0,0,0,1,0,0|3,0,0]=4 162 B16R1.44800 NC(=O)CC(=O)Cc1cc(c(c(c1)Br)O)Br 1458a_100009996861_100000187820 [0,0,0,0,0,1|2,0,1]=4 163 B16R1.44800 O=C([O-])CC(=O)Cc1cc(c(c(c1)Br)O)Br 1458a_100009996861_100020667443 [0,0,0,0,0,1|1,0,2]=4 164 B16R1.44801 CC(=O)C(=O)CNc1cc(c(c(c1)Br)O)Br 34a_200000186426_100011261029 [0,0,0,0,0,1|2,0,1]=4 165 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200000210301 [2,0,0,0,0,0|2,0,0]=4 166 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200025704644 [2,0,0,0,0,0|2,0,0]=4 167 B13R1.148 CC(=O)C(O)Cc1cccc(c1)Br 1458a_100012362086_200000210301 [2,0,0,0,0,0|2,0,0]=4 168 B13R1.148 [13CH3]C(=O)C(O)Cc1cccc(c1)Br 1458a_100012362086_200025704644 [2,0,0,0,0,0|2,0,0]=4 169 B13R1.511 CC(=O)CCc1ccc(c(c1)Br)C 1458a_100010220830_200000210301 [2,0,0,0,0,0|2,0,0]=4 170 B13R1.511 CC(=O)CCc1ccc(c(c1)Br)F 1458a_100011308364_200000210301 [2,0,0,0,0,0|2,0,0]=4 171 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200000210301 [2,0,0,0,0,0|2,0,0]=4 172 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000070787_200010393615 [2,0,0,0,0,0|2,0,0]=4 173 B13R1.511 Cc1ccc(cc1Br)CCC(=O)[13CH3] 1458a_100010220830_200025704644 [2,0,0,0,0,0|2,0,0]=4 174 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)O 34a_100011534360_100000187820 [2,0,0,0,0,0|2,0,0]=4 175 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)O 62a_100000747473_100012361655 [2,0,0,0,0,0|2,0,0]=4 176 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)O 62a_100012361655_100000747473 [2,0,0,0,0,0|2,0,0]=4 177 B13R1.511 O=C([O-])CNc1ccc(c(c1)Br)O 34a_100011534360_100020667443 [2,0,0,0,0,0|1,0,1]=4 178 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)O 62a_100012361655_100020667443 [2,0,0,0,0,0|1,0,1]=4 179 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)O 62a_100020667443_100012361655 [2,0,0,0,0,0|1,0,1]=4 180 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Br)F 1458a_100011308364_200025704644 [2,0,0,0,0,0|2,0,0]=4 181 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200025704644 [2,0,0,0,0,0|2,0,0]=4 182 B13R1.136 C=CCNc1cc(c(c(c1)Br)O)Br 34a_200000186426_100015514636 [2,0,0,0,0,0|2,0,0]=4 183 B13R1.136 Cc1c(cc(cc1Br)NCC=O)Br 2230a_100009813276_200015260668 [2,0,0,0,0,0|2,0,0]=4 184 B13R1.136 Cc1c(cc(cc1Br)NCC=O)Br 34a_100009813276_200009817547 [2,0,0,0,0,0|2,0,0]=4 185 B13R1.136 Cc1c(cc(cc1Br)NCC=O)Br 7a_100009813276_200015260668 [2,0,0,0,0,0|2,0,0]=4 186 B13R1.136 Cc1c(cc(cc1Br)OCC=O)Br 34a_100009813510_200009817547 [2,0,0,0,0,0|2,0,0]=4 187 B13R1.136 Cc1c(cc(cc1Br)OCC=O)Br 7a_100009813510_200015260668 [2,0,0,0,0,0|2,0,0]=4 188 B13R1.136 Cc1c(cc(cc1Br)SCC=O)Br 62a_100011099977_200015260668 [2,0,0,0,0,0|2,0,0]=4 189 B13R1.136 Cc1c(cc(cc1Br)SCC=O)Br 62a_200015260668_100011099977 [2,0,0,0,0,0|2,0,0]=4 190 B13R1.136 Cc1cc(cc(c1O)Br)NCC=O 34a_100010064301_200009817547 [2,0,0,0,0,0|2,0,0]=4 191 B13R1.136 Cc1cc(cc(c1O)Br)NCC=O 7a_100010064301_200015260668 [2,0,0,0,0,0|2,0,0]=4 192 B13R1.136 Cc1cc(cc(c1O)Br)SCC=O 62a_100010982682_200015260668 [2,0,0,0,0,0|2,0,0]=4 193 B13R1.136 Cc1cc(cc(c1O)Br)SCC=O 62a_200015260668_100010982682 [2,0,0,0,0,0|2,0,0]=4 194 B13R1.136 Nc1c(cc(cc1Br)OCC=O)Br 34a_200010887395_200009817547 [2,0,0,0,0,0|2,0,0]=4 195 B13R1.136 Nc1c(cc(cc1Br)OCC=O)Br 7a_200010887395_200015260668 [2,0,0,0,0,0|2,0,0]=4 196 B13R1.136 O=CCNc1cc(c(c(c1)Br)F)Br 2230a_100010209666_200015260668 [2,0,0,0,0,0|2,0,0]=4 197 B13R1.136 O=CCNc1cc(c(c(c1)Br)F)Br 34a_100010209666_200009817547 [2,0,0,0,0,0|2,0,0]=4 198 B13R1.136 O=CCNc1cc(c(c(c1)Br)F)Br 7a_100010209666_200015260668 [2,0,0,0,0,0|2,0,0]=4 199 B13R1.136 O=CCNc1cc(c(c(c1)Br)O)Br 34a_200000186426_200009817547 [2,0,0,0,0,0|1,0,0]=3 200 B13R1.136 OCCNc1cc(c(c(c1)Br)O)Br 34a_200000186426_100000211926 [2,0,0,0,0,0|1,0,1]=4 201 B13R1.3763 CC(=O)Cc1cc(c(c(c1)Br)O)Br 1458a_100009996861_200000210301 [2,0,0,0,0,0|1,0,1]=4 202 B13R1.3763 [13CH3]C(=O)Cc1cc(c(c(c1)Br)O)Br 1458a_100009996861_200025704644 [2,0,0,0,0,0|1,0,1]=4 203 B13R1.3420 CC(=O)CCc1cc(cc(c1)Br)Br 1458a_100010253072_200000210301 [2,0,0,0,0,0|1,0,0]=3 204 B13R1.3420 CC(=O)CCc1cc(cc(c1)Br)F 1458a_100012357547_200000210301 [2,0,0,0,0,0|1,1,0]=4 205 B13R1.3420 CC(=O)NCc1cc(cc(c1)Br)Br 11a_100015211796_100015343762 [2,0,0,0,0,0|2,0,0]=4 206 B13R1.3420 CC(=O)NCc1cc(cc(c1)Br)Br 240690a_100015211796_100015343762 [2,0,0,0,0,0|2,0,0]=4 207 B13R1.3420 CC(=O)NCc1cc(cc(c1)Br)Br 527a_100015211796_100103153847 [2,0,0,0,0,0|2,0,0]=4 208 B13R1.3420 NC(=O)CNc1cc(cc(c1)Br)Br 34a_100012047176_100000187820 [2,0,0,0,0,0|2,0,0]=4 209 B13R1.3420 NC(=O)CNc1cc(cc(c1)Br)Br 7a_100012047176_100000187820 [2,0,0,0,0,0|2,0,0]=4 210 B13R1.3420 NC(=O)COc1cc(cc(c1)Br)Br 34a_100010167048_100000187820 [2,0,0,0,0,0|2,0,0]=4 211 B13R1.3420 NC(=O)COc1cc(cc(c1)Br)Br 7a_100010167048_100000187820 [2,0,0,0,0,0|2,0,0]=4 212 B13R1.3420 NC(=O)CSc1cc(cc(c1)Br)Br 62a_100000747473_100009814770 [2,0,0,0,0,0|2,0,0]=4 213 B13R1.3420 NC(=O)CSc1cc(cc(c1)Br)Br 62a_100009814770_100000747473 [2,0,0,0,0,0|2,0,0]=4 214 B13R1.3420 O=C([O-])CNc1cc(cc(c1)Br)Br 34a_100012047176_100020667443 [2,0,0,0,0,0|1,0,1]=4 215 B13R1.3420 O=C([O-])COc1cc(cc(c1)Br)Br 34a_100010167048_100020667443 [2,0,0,0,0,0|1,0,1]=4 216 B13R1.3420 O=C([O-])CSc1cc(cc(c1)Br)Br 62a_100009814770_100020667443 [2,0,0,0,0,0|1,0,1]=4 217 B13R1.3420 O=C([O-])CSc1cc(cc(c1)Br)Br 62a_100020667443_100009814770 [2,0,0,0,0,0|1,0,1]=4 218 B13R1.3420 [13CH3]C(=O)CCc1cc(cc(c1)Br)Br 1458a_100010253072_200025704644 [2,0,0,0,0,0|1,0,0]=3 219 B13R1.3420 [13CH3]C(=O)CCc1cc(cc(c1)Br)F 1458a_100012357547_200025704644 [2,0,0,0,0,0|1,1,0]=4 220 B15R1.676 CNC(Cc1ccc(c(c1)Cl)F)C(=O)O 269956a_103549770568_200000210301 [1,1,0,0,0,0|1,1,0]=4 221 B15R1.676 CN[C@@H](Cc1ccc(c(c1)Cl)Cl)C(=O)O 269956a_100011737835_200000210301 [1,1,0,0,0,0|1,1,0]=4 222 B15R1.676 CN[C@@H](Cc1ccc(c(c1)F)F)C(=O)O 269956a_100011737850_200000210301 [1,1,0,0,0,0|1,1,0]=4 223 B15R1.676 [13CH3]NC(Cc1ccc(c(c1)Cl)F)C(=O)O 269956a_103549770568_200025704644 [1,1,0,0,0,0|1,1,0]=4 224 B15R1.676 [13CH3]N[C@@H](Cc1ccc(c(c1)Cl)Cl)C(=O)O 269956a_100011737835_200025704644 [1,1,0,0,0,0|1,1,0]=4 225 B15R1.676 [13CH3]N[C@@H](Cc1ccc(c(c1)F)F)C(=O)O 269956a_100011737850_200025704644 [1,1,0,0,0,0|1,1,0]=4 226 B15R1.5521 COC(=O)C(C)Nc1ccc(c(c1)Br)O 34a_100011534360_100000211248 [1,1,0,0,0,0|2,0,0]=4 227 B15R1.5521 COC(=O)C(C)Sc1ccc(c(c1)Br)O 62a_100000211248_100012361655 [1,1,0,0,0,0|2,0,0]=4 228 B15R1.5521 COC(=O)C(C)Sc1ccc(c(c1)Br)O 62a_100012361655_100000211248 [1,1,0,0,0,0|2,0,0]=4 229 B15R1.444 O=CC(C=O)Nc1cc(c(c(c1)Br)O)Br 34a_200000186426_100000736813 [1,1,0,0,0,0|2,0,0]=4 230 B15R1.650 CNC(Cc1cc(cc(c1)C)C)C(=O)O 269956a_200000752520_200000210301 [1,1,0,0,0,0|2,0,0]=4 231 B15R1.650 CNC(Cc1cc(cc(c1)F)F)C(=O)O 269956a_100011217460_200000210301 [1,1,0,0,0,0|0,2,0]=4 232 B15R1.650 CN[C@@H](Cc1cc(cc(c1)Cl)Cl)C(=O)O 269956a_100011737883_200000210301 [1,1,0,0,0,0|0,2,0]=4 233 B15R1.650 Cc1cc(cc(c1)CC(N[13CH3])C(=O)O)C 269956a_200000752520_200025704644 [1,1,0,0,0,0|2,0,0]=4 234 B15R1.650 [13CH3]NC(Cc1cc(cc(c1)F)F)C(=O)O 269956a_100011217460_200025704644 [1,1,0,0,0,0|0,2,0]=4 235 B15R1.650 [13CH3]N[C@@H](Cc1cc(cc(c1)Cl)Cl)C(=O)O 269956a_100011737883_200025704644 [1,1,0,0,0,0|0,2,0]=4 236 B15R1.5515 COC(=O)C(C)Nc1cc(cc(c1)Br)Br 34a_100012047176_100000211248 [1,1,0,0,0,0|2,0,0]=4 237 B15R1.5515 COC(=O)C(C)Nc1cc(cc(c1)Br)Br 7a_100012047176_100000211248 [1,1,0,0,0,0|2,0,0]=4 238 B15R1.5515 COC(=O)C(C)Oc1cc(cc(c1)Br)Br 34a_100010167048_100000211248 [1,1,0,0,0,0|2,0,0]=4 239 B15R1.5515 COC(=O)C(C)Oc1cc(cc(c1)Br)Br 7a_100010167048_100000211248 [1,1,0,0,0,0|2,0,0]=4 240 B15R1.5515 COC(=O)C(C)Sc1cc(cc(c1)Br)Br 62a_100000211248_100009814770 [1,1,0,0,0,0|2,0,0]=4 241 B15R1.5515 COC(=O)C(C)Sc1cc(cc(c1)Br)Br 62a_100009814770_100000211248 [1,1,0,0,0,0|2,0,0]=4 242 B15R1.2993 CCC(=O)CCc1cc(c(c(c1)Br)O)Br 1458a_100009814134_100000210202 [1,1,0,0,0,0|1,0,0]=3 243 B15R1.2993 CNC(=O)CCc1cc(c(c(c1)Br)O)Br 240690a_100102657272_100009814134 [1,1,0,0,0,0|1,0,0]=3 244 B15R1.2993 CNC(=O)CCc1cc(c(c(c1)Br)O)Br 527a_100102657272_100009814134 [1,1,0,0,0,0|1,0,0]=3 245 B15R1.2993 CNC(=O)CNc1cc(c(c(c1)Br)O)Br 34a_200000186426_100000183359 [1,1,0,0,0,0|2,0,0]=4 246 B15R1.2993 COC(=O)CNc1cc(c(c(c1)Br)C)Br 2230a_100009813276_100000747449 [1,1,0,0,0,0|2,0,0]=4 247 B15R1.2993 COC(=O)CNc1cc(c(c(c1)Br)C)Br 34a_100009813276_100000747449 [1,1,0,0,0,0|2,0,0]=4 248 B15R1.2993 COC(=O)CNc1cc(c(c(c1)Br)C)Br 7a_100009813276_100000747449 [1,1,0,0,0,0|2,0,0]=4 249 B15R1.2993 COC(=O)CNc1cc(c(c(c1)Br)F)Br 2230a_100010209666_100000747449 [1,1,0,0,0,0|2,0,0]=4 250 B15R1.2993 COC(=O)CNc1cc(c(c(c1)Br)F)Br 34a_100010209666_100000747449 [1,1,0,0,0,0|2,0,0]=4 251 B15R1.2993 COC(=O)CNc1cc(c(c(c1)Br)F)Br 7a_100010209666_100000747449 [1,1,0,0,0,0|2,0,0]=4 252 B15R1.2993 COC(=O)CNc1cc(c(c(c1)Br)O)Br 34a_200000186426_100000747449 [1,1,0,0,0,0|1,0,0]=3 253 B15R1.2993 COC(=O)CNc1cc(c(c(c1)Br)O)C 34a_100010064301_100000747449 [1,1,0,0,0,0|2,0,0]=4 254 B15R1.2993 COC(=O)CNc1cc(c(c(c1)Br)O)C 7a_100010064301_100000747449 [1,1,0,0,0,0|2,0,0]=4 255 B15R1.2993 COC(=O)COc1cc(c(c(c1)Br)C)Br 34a_100009813510_100000747449 [1,1,0,0,0,0|2,0,0]=4 256 B15R1.2993 COC(=O)COc1cc(c(c(c1)Br)C)Br 7a_100009813510_100000747449 [1,1,0,0,0,0|2,0,0]=4 257 B15R1.2993 COC(=O)COc1cc(c(c(c1)Br)N)Br 34a_200010887395_100000747449 [1,1,0,0,0,0|2,0,0]=4 258 B15R1.2993 COC(=O)COc1cc(c(c(c1)Br)N)Br 7a_200010887395_100000747449 [1,1,0,0,0,0|2,0,0]=4 259 B15R1.2993 COC(=O)CSc1cc(c(c(c1)Br)C)Br 62a_100000747449_100011099977 [1,1,0,0,0,0|2,0,0]=4 260 B15R1.2993 COC(=O)CSc1cc(c(c(c1)Br)C)Br 62a_100011099977_100000747449 [1,1,0,0,0,0|2,0,0]=4 261 B15R1.2993 COC(=O)CSc1cc(c(c(c1)Br)O)C 62a_100000747449_100010982682 [1,1,0,0,0,0|2,0,0]=4 262 B15R1.2993 COC(=O)CSc1cc(c(c(c1)Br)O)C 62a_100010982682_100000747449 [1,1,0,0,0,0|2,0,0]=4 263 B15R1.2993 O=C(CF)CCc1cc(c(c(c1)Br)O)Br 1458a_100009814134_100015361967 [1,1,0,0,0,0|1,0,0]=3 264 B15R1.21573 COc1c(cc(cc1Br)NCC(=O)N)Br 34a_100011274243_100000187820 [1,1,0,0,0,0|2,0,0]=4 265 B15R1.21573 COc1c(cc(cc1Br)NCC(=O)[O-])Br 34a_100011274243_100020667443 [1,1,0,0,0,0|1,0,1]=4 266 B15R1.28954 NC(=O)CC(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_100000187820 [1,1,0,0,0,0|1,0,1]=4 267 B15R1.28954 O=C([O-])CC(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_100020667443 [1,1,0,0,0,0|0,0,2]=4 268 B17R1.864 COC(=O)CC(=O)Cc1cc(c(c(c1)Br)O)Br 1458a_100009996861_100000747449 [0,1,0,0,0,1|1,0,1]=4 269 B17R1.864 COC(=O)CC(C)Nc1cc(c(c(c1)Br)O)Br 34a_200000186426_100009817358 [0,1,0,0,0,1|2,0,0]=4 270 B17R1.8321 C=C(CNc1cc(c(c(c1)Br)O)Br)C(=O)OC 34a_200000186426_100009813391 [0,1,0,0,0,1|1,0,1]=4 271 B17R1.8321 COC(=O)C(=O)CNc1cc(c(c(c1)Br)O)Br 34a_200000186426_100011610305 [0,1,0,0,0,1|1,0,1]=4 272 B17R1.8321 COC(=O)C(C)CNc1cc(c(c(c1)Br)C)Br 34a_100009813276_100000698445 [0,1,0,0,0,1|2,0,0]=4 273 B17R1.8321 COC(=O)C(C)CNc1cc(c(c(c1)Br)F)Br 34a_100010209666_100000698445 [0,1,0,0,0,1|2,0,0]=4 274 B17R1.8321 COC(=O)C(C)CNc1cc(c(c(c1)Br)O)Br 34a_200000186426_100000698445 [0,1,0,0,0,1|1,0,0]=3 275 B17R1.8321 COC(=O)C(C)CNc1cc(c(c(c1)Br)O)C 34a_100010064301_100000698445 [0,1,0,0,0,1|2,0,0]=4 276 B17R1.8321 COC(=O)C(C)COc1cc(c(c(c1)Br)C)Br 34a_100009813510_100000698445 [0,1,0,0,0,1|2,0,0]=4 277 B17R1.8321 COC(=O)C(C)COc1cc(c(c(c1)Br)N)Br 34a_200010887395_100000698445 [0,1,0,0,0,1|2,0,0]=4 278 B17R1.8321 COC(=O)C(C)CSc1cc(c(c(c1)Br)C)Br 62a_100000698445_100011099977 [0,1,0,0,0,1|2,0,0]=4 279 B17R1.8321 COC(=O)C(C)CSc1cc(c(c(c1)Br)C)Br 62a_100011099977_100000698445 [0,1,0,0,0,1|2,0,0]=4 280 B17R1.8321 COC(=O)C(C)CSc1cc(c(c(c1)Br)O)C 62a_100000698445_100010982682 [0,1,0,0,0,1|2,0,0]=4 281 B17R1.8321 COC(=O)C(C)CSc1cc(c(c(c1)Br)O)C 62a_100010982682_100000698445 [0,1,0,0,0,1|2,0,0]=4 282 B17R1.58984 COc1c(cc(cc1Br)CN[C@H](C)C(=O)N)Br 270004a_100000119354_100000188323 [0,1,0,0,0,1|2,0,0]=4 283 B17R1.281576 CC(C)(CNc1cc(c(c(c1)Br)O)Br)C(=O)N 34a_200000186426_200009895572 [0,1,0,0,0,1|2,0,0]=4 284 B17R1.2606 COC(=O)C(C)(F)Nc1cc(c(c(c1)Br)O)Br 34a_200000186426_200009867631 [0,2,0,0,0,0|2,0,0]=4 285 B17R1.2606 COC(=O)C(F)(F)Nc1cc(c(c(c1)Br)O)Br 34a_200000186426_100000211177 [0,2,0,0,0,0|2,0,0]=4 286 B17R1.5014 CCOC(=O)C(C)Nc1cc(c(c(c1)Br)O)Br 34a_200000186426_100011216346 [0,2,0,0,0,0|2,0,0]=4 287 B17R1.5014 CCOC(=O)C(F)Nc1cc(c(c(c1)Br)O)Br 34a_200000186426_100000760018 [0,2,0,0,0,0|2,0,0]=4 288 B17R1.24040 CCC(Nc1cc(c(c(c1)Br)O)Br)C(=O)OC 34a_200000186426_100000235869 [0,2,0,0,0,0|2,0,0]=4 289 B17R1.24040 COC(=O)C(C=O)Nc1cc(c(c(c1)Br)O)Br 34a_200000186426_100000046368 [0,2,0,0,0,0|2,0,0]=4 290 B17R1.24040 COC(=O)C(CO)Nc1cc(c(c(c1)Br)O)Br 34a_200000186426_100012276630 [0,2,0,0,0,0|2,0,0]=4 291 B17R1.24040 COC(=O)C(Nc1cc(c(c(c1)Br)O)Br)OC 34a_200000186426_100000101307 [0,2,0,0,0,0|2,0,0]=4 292 B17R1.179756 COC(=O)C(C)C(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_100000211248 [0,2,0,0,0,0|1,0,1]=4 293 B17R1.247751 COC(=O)C(C)Nc1cc(c(c(c1)Br)OC)Br 34a_100011274243_100000211248 [0,2,0,0,0,0|2,0,0]=4 294 B17R1.18662 CCN[C@@H](Cc1cc(c(c(c1)Cl)O)Cl)C(=O)O 269956a_200016989187_100000210202 [0,2,0,0,0,0|0,2,0]=4 295 B17R1.18662 O=C(O)[C@H](Cc1cc(c(c(c1)Cl)O)Cl)NCF 269956a_200016989187_100015361967 [0,2,0,0,0,0|0,2,0]=4 296 B17R2.146922 O=C1OCC(O1)Nc2cc(c(c(c2)Br)O)Br 34a_200000186426_100000032252 [0,0,0,1,0,1|2,0,0]=4 297 B17R2.255999 O=C1OCCC1Nc2cc(c(c(c2)Br)O)Br 34a_200000186426_100000211211 [0,1,0,1,0,0|2,0,0]=4 298 B15R1.884 C[C@H](NCc1ccc(c(c1)Br)Br)C(=O)O 269956a_100000743915_100012353900 [1,0,0,0,0,1|2,0,0]=4 299 B15R1.884 C[C@H](NCc1ccc(c(c1)Br)Cl)C(=O)O 269956a_100000743915_100012353894 [1,0,0,0,0,1|2,0,0]=4 300 B15R1.884 C[C@H](NCc1ccc(c(c1)Br)F)C(=O)O 269956a_100000743915_100000743011 [1,0,0,0,0,1|2,0,0]=4 301 B15R1.884 Cc1ccc(cc1Br)CN[C@@H](C)C(=O)O 269956a_100000743915_100012232412 [1,0,0,0,0,1|2,0,0]=4 302 B15R1.5446 CN(CC(=O)O)Cc1cc(cc(c1)Br)Br 269956a_100000746989_100011216082 [1,0,0,0,0,1|2,0,0]=4 303 B15R1.5455 CC(=O)C(C)NCc1cc(cc(c1)Br)Br 2230a_100015211796_100009814033 [1,0,0,0,0,1|2,0,0]=4 304 B15R1.5455 CC(=O)C(C)OCc1cc(cc(c1)Br)Br 34a_100000212229_100011216082 [1,0,0,0,0,1|2,0,0]=4 305 B15R1.5455 CC(=O)C(C)OCc1cc(cc(c1)Br)Br 7a_100011218366_100000179758 [1,0,0,0,0,1|2,0,0]=4 306 B15R1.5455 CC(=O)C(C)SCc1cc(cc(c1)Br)Br 62a_100009814033_100011216082 [1,0,0,0,0,1|2,0,0]=4 307 B15R1.5455 CC(=O)C(C)SCc1cc(cc(c1)Br)Br 62a_100011216082_100009814033 [1,0,0,0,0,1|2,0,0]=4 308 B15R1.5455 CC(NCc1cc(cc(c1)Br)Br)C(=O)N 2230a_100015211796_100000702099 [1,0,0,0,0,1|2,0,0]=4 309 B15R1.5455 CC(NCc1cc(cc(c1)Br)Br)C(=O)N 34a_100015211796_100000702099 [1,0,0,0,0,1|2,0,0]=4 310 B15R1.5455 CC(OCc1cc(cc(c1)Br)Br)C(=O)N 34a_100011218366_100000702099 [1,0,0,0,0,1|2,0,0]=4 311 B15R1.5455 CC(OCc1cc(cc(c1)Br)Br)C(=O)N 7a_100011218366_100000702099 [1,0,0,0,0,1|2,0,0]=4 312 B15R1.5455 CC(SCc1cc(cc(c1)Br)Br)C(=O)N 62a_100000702099_100011216082 [1,0,0,0,0,1|2,0,0]=4 313 B15R1.5455 CC(SCc1cc(cc(c1)Br)Br)C(=O)N 62a_100011216082_100000702099 [1,0,0,0,0,1|2,0,0]=4 314 B15R1.5455 C[C@@H](NCc1cc(cc(c1)Br)Br)C(=O)N 2230a_100000119354_100011216082 [1,0,0,0,0,1|2,0,0]=4 315 B15R1.5455 C[C@@H](NCc1cc(cc(c1)Br)Br)C(=O)N 270004a_100000119354_100000719502 [1,0,0,0,0,1|2,0,0]=4 316 B15R1.5455 C[C@@H](NCc1cc(cc(c1)Br)Br)C(=O)N 34a_100000119354_100011216082 [1,0,0,0,0,1|2,0,0]=4 317 B15R1.5455 C[C@@H](OCc1cc(cc(c1)Br)Br)C(=O)N 34a_100000731257_100011216082 [1,0,0,0,0,1|2,0,0]=4 318 B15R1.5455 C[C@@H](OCc1cc(cc(c1)Br)Br)C(=O)N 7a_100000731257_100011216082 [1,0,0,0,0,1|2,0,0]=4 319 B15R1.5455 C[C@H](NCc1cc(cc(c1)Br)Br)C(=O)O 269956a_100000743915_100011216082 [1,0,0,0,0,1|1,0,0]=3 320 B15R1.5455 C[C@H](NCc1cc(cc(c1)Br)F)C(=O)O 269956a_100000743915_100000766940 [1,0,0,0,0,1|1,1,0]=4 321 B15R1.5455 C[C@H](NCc1cc(cc(c1)I)Br)C(=O)O 269956a_100000743915_100010146614 [1,0,0,0,0,1|1,1,0]=4 322 B15R1.5455 C[C@H](OCc1cc(cc(c1)Br)Br)C(=O)[O-] 7a_217856618621_100011216082 [1,0,0,0,0,1|1,0,1]=4 323 B15R1.5455 Cc1cc(cc(c1)CN[C@@H](C)C(=O)O)Br 269956a_100000743915_100012348363 [1,0,0,0,0,1|2,0,0]=4 324 B15R1.5455 NC(=O)C(F)NCc1cc(cc(c1)Br)Br 2230a_100015211796_100009813875 [1,0,0,0,0,1|2,0,0]=4 325 B15R1.5455 NC(=O)C(F)NCc1cc(cc(c1)Br)Br 34a_100015211796_100009813875 [1,0,0,0,0,1|2,0,0]=4 326 B15R1.5455 NC(=O)C(F)OCc1cc(cc(c1)Br)Br 34a_100011218366_100009813875 [1,0,0,0,0,1|2,0,0]=4 327 B15R1.5455 NC(=O)C(F)OCc1cc(cc(c1)Br)Br 7a_100011218366_100009813875 [1,0,0,0,0,1|2,0,0]=4 328 B15R1.5455 NC(=O)C(F)SCc1cc(cc(c1)Br)Br 62a_100009813875_100011216082 [1,0,0,0,0,1|2,0,0]=4 329 B15R1.5455 NC(=O)C(F)SCc1cc(cc(c1)Br)Br 62a_100011216082_100009813875 [1,0,0,0,0,1|2,0,0]=4 330 B15R1.5455 O=C([O-])C(F)NCc1cc(cc(c1)Br)Br 34a_100015211796_100020610796 [1,0,0,0,0,1|1,0,1]=4 331 B15R1.5455 O=C([O-])C(F)OCc1cc(cc(c1)Br)Br 34a_100011218366_100020610796 [1,0,0,0,0,1|1,0,1]=4 332 B15R1.5455 O=C([O-])C(F)SCc1cc(cc(c1)Br)Br 62a_100011216082_100020610796 [1,0,0,0,0,1|1,0,1]=4 333 B15R1.5455 O=C([O-])C(F)SCc1cc(cc(c1)Br)Br 62a_100020610796_100011216082 [1,0,0,0,0,1|1,0,1]=4 334 B15R1.28956 C=C(C)CCNc1cc(c(c(c1)Br)O)Br 34a_200000186426_100000730704 [1,0,0,0,0,1|2,0,0]=4 335 B15R1.28956 CC(=O)CCNc1cc(c(c(c1)Br)C)Br 7a_100009813276_100000053229 [1,0,0,0,0,1|2,0,0]=4 336 B15R1.28956 CC(=O)CCNc1cc(c(c(c1)Br)F)Br 7a_100010209666_100000053229 [1,0,0,0,0,1|2,0,0]=4 337 B15R1.28956 CC(=O)CCNc1cc(c(c(c1)Br)O)C 7a_100010064301_100000053229 [1,0,0,0,0,1|2,0,0]=4 338 B15R1.28956 CC(=O)CCOc1cc(c(c(c1)Br)C)Br 7a_100009813510_100000053229 [1,0,0,0,0,1|2,0,0]=4 339 B15R1.28956 CC(=O)CCOc1cc(c(c(c1)Br)N)Br 7a_200010887395_100000053229 [1,0,0,0,0,1|2,0,0]=4 340 B15R1.28956 CC(=O)CCSc1cc(c(c(c1)Br)C)Br 62a_100000053229_100011099977 [1,0,0,0,0,1|2,0,0]=4 341 B15R1.28956 CC(=O)CCSc1cc(c(c(c1)Br)C)Br 62a_100011099977_100000053229 [1,0,0,0,0,1|2,0,0]=4 342 B15R1.28956 CC(=O)CCSc1cc(c(c(c1)Br)O)C 62a_100000053229_100010982682 [1,0,0,0,0,1|2,0,0]=4 343 B15R1.28956 CC(=O)CCSc1cc(c(c(c1)Br)O)C 62a_100010982682_100000053229 [1,0,0,0,0,1|2,0,0]=4 344 B15R1.28956 CC(=O)OCNc1cc(c(c(c1)Br)O)Br 34a_200000186426_100009813279 [1,0,0,0,0,1|2,0,0]=4 345 B15R1.28956 CC(O)CCNc1cc(c(c(c1)Br)O)Br 34a_200000186426_100012276601 [1,0,0,0,0,1|1,0,1]=4 346 B15R1.28956 Cc1c(cc(cc1Br)NCCC(=O)N)Br 2230a_100009813276_100000744528 [1,0,0,0,0,1|2,0,0]=4 347 B15R1.28956 Cc1c(cc(cc1Br)NCCC(=O)N)Br 34a_100009813276_100000731001 [1,0,0,0,0,1|2,0,0]=4 348 B15R1.28956 Cc1c(cc(cc1Br)NCCC(=O)N)Br 7a_100009813276_100000744528 [1,0,0,0,0,1|2,0,0]=4 349 B15R1.28956 Cc1c(cc(cc1Br)OCCC(=O)N)Br 34a_100009813510_100000731001 [1,0,0,0,0,1|2,0,0]=4 350 B15R1.28956 Cc1c(cc(cc1Br)OCCC(=O)N)Br 7a_100009813510_100000744528 [1,0,0,0,0,1|2,0,0]=4 351 B15R1.28956 Cc1c(cc(cc1Br)SCCC(=O)N)Br 62a_100000744528_100011099977 [1,0,0,0,0,1|2,0,0]=4 352 B15R1.28956 Cc1c(cc(cc1Br)SCCC(=O)N)Br 62a_100011099977_100000744528 [1,0,0,0,0,1|2,0,0]=4 353 B15R1.28956 Cc1cc(cc(c1O)Br)NCCC(=O)N 34a_100010064301_100000731001 [1,0,0,0,0,1|2,0,0]=4 354 B15R1.28956 Cc1cc(cc(c1O)Br)NCCC(=O)N 7a_100010064301_100000744528 [1,0,0,0,0,1|2,0,0]=4 355 B15R1.28956 Cc1cc(cc(c1O)Br)SCCC(=O)N 62a_100000744528_100010982682 [1,0,0,0,0,1|2,0,0]=4 356 B15R1.28956 Cc1cc(cc(c1O)Br)SCCC(=O)N 62a_100010982682_100000744528 [1,0,0,0,0,1|2,0,0]=4 357 B15R1.28956 NC(=O)CCNc1cc(c(c(c1)Br)F)Br 2230a_100010209666_100000744528 [1,0,0,0,0,1|2,0,0]=4 358 B15R1.28956 NC(=O)CCNc1cc(c(c(c1)Br)F)Br 34a_100010209666_100000731001 [1,0,0,0,0,1|2,0,0]=4 359 B15R1.28956 NC(=O)CCNc1cc(c(c(c1)Br)F)Br 7a_100010209666_100000744528 [1,0,0,0,0,1|2,0,0]=4 360 B15R1.28956 NC(=O)CCNc1cc(c(c(c1)Br)O)Br 34a_200000186426_100000731001 [1,0,0,0,0,1|1,0,0]=3 361 B15R1.28956 NC(=O)CCOc1cc(c(c(c1)Br)N)Br 34a_200010887395_100000731001 [1,0,0,0,0,1|2,0,0]=4 362 B15R1.28956 NC(=O)CCOc1cc(c(c(c1)Br)N)Br 7a_200010887395_100000744528 [1,0,0,0,0,1|2,0,0]=4