0 B15R1.5793 CC(=O)C(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100011261029 [0,0,0,0,0,0|3,0,1]=4 1 B15R1.5793 CC(=O)C(=O)CC(=O)c1ccccc1C 1458a_100000212026_100011261029 [0,0,0,0,0,0|3,0,1]=4 2 B15R1.5793 CC(=O)C(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100011261029 [0,0,0,0,0,0|3,0,1]=4 3 B15R1.5793 CC(=O)C(=O)CC(=O)c1ccccc1F 1458a_100000188656_100011261029 [0,0,0,0,0,0|3,0,1]=4 4 B15R1.5793 CC(=O)C(=O)CC(=O)c1ccccc1I 1458a_100000187884_100011261029 [0,0,0,0,0,0|3,0,1]=4 5 B15R1.5793 CC(=O)C(=O)CC(=O)c1ccccc1O 1458a_100015234032_100011261029 [0,0,0,0,0,0|3,0,1]=4 6 B15R1.5793 CC(=O)C(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100011261029 [0,0,0,0,0,0|3,0,1]=4 7 B15R1.5793 CC(=O)C(C)NC(=O)c1ccccc1Cl 1458a_100000183269_200000210301 [0,0,0,0,0,0|4,0,0]=4 8 B15R1.5793 CC(NC(=O)c1ccccc1Cl)C(=O)[13CH3] 1458a_100000183269_200025704644 [0,0,0,0,0,0|4,0,0]=4 9 B15R1.5793 C[C@@H](NC(=O)c1ccccc1Br)C(=O)N 11a_100000119354_100000188424 [0,0,0,0,0,0|4,0,0]=4 10 B15R1.5793 C[C@@H](NC(=O)c1ccccc1Br)C(=O)N 240690a_100000119354_100000188424 [0,0,0,0,0,0|4,0,0]=4 11 B15R1.5793 C[C@@H](NC(=O)c1ccccc1Br)C(=O)N 527a_100000119354_100000188424 [0,0,0,0,0,0|4,0,0]=4 12 B15R1.5793 C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N 11a_100000119354_100000185844 [0,0,0,0,0,0|4,0,0]=4 13 B15R1.5793 C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N 240690a_100000119354_100000185844 [0,0,0,0,0,0|4,0,0]=4 14 B15R1.5793 C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N 527a_100000119354_100000185844 [0,0,0,0,0,0|4,0,0]=4 15 B15R1.5793 C[C@@H](NC(=O)c1ccccc1F)C(=O)N 11a_100000119354_100000188656 [0,0,0,0,0,0|4,0,0]=4 16 B15R1.5793 C[C@@H](NC(=O)c1ccccc1F)C(=O)N 240690a_100000119354_100000188656 [0,0,0,0,0,0|4,0,0]=4 17 B15R1.5793 C[C@@H](NC(=O)c1ccccc1F)C(=O)N 527a_100000119354_100000188656 [0,0,0,0,0,0|4,0,0]=4 18 B15R1.5793 C[C@@H](NC(=O)c1ccccc1I)C(=O)N 11a_100000119354_100000187884 [0,0,0,0,0,0|4,0,0]=4 19 B15R1.5793 C[C@@H](NC(=O)c1ccccc1I)C(=O)N 240690a_100000119354_100000187884 [0,0,0,0,0,0|4,0,0]=4 20 B15R1.5793 C[C@@H](NC(=O)c1ccccc1I)C(=O)N 527a_100000119354_100000187884 [0,0,0,0,0,0|4,0,0]=4 21 B15R1.5793 C[C@@H](NC(=O)c1ccccc1O)C(=O)N 240690a_100000119354_100015234032 [0,0,0,0,0,0|4,0,0]=4 22 B15R1.5793 C[C@@H](NC(=O)c1ccccc1[O-])C(=O)N 240690a_100000119354_100009911694 [0,0,0,0,0,0|4,0,0]=4 23 B15R1.5793 C[C@@H](NC(=O)c1ccccc1[O-])C(=O)N 527a_100000119354_100009911694 [0,0,0,0,0,0|4,0,0]=4 24 B15R1.5793 Cc1ccccc1C(=O)N[C@H](C)C(=O)N 11a_100000119354_100000212026 [0,0,0,0,0,0|4,0,0]=4 25 B15R1.5793 Cc1ccccc1C(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000212026 [0,0,0,0,0,0|4,0,0]=4 26 B15R1.5793 Cc1ccccc1C(=O)N[C@H](C)C(=O)N 527a_100000119354_100000212026 [0,0,0,0,0,0|4,0,0]=4 27 B14R1.160 C=C(C)CCC(=O)c1ccccc1Br 1458a_100000188424_100000730704 [1,0,0,0,0,0|3,0,0]=4 28 B14R1.160 C=C(C)CCC(=O)c1ccccc1C 1458a_100000212026_100000730704 [1,0,0,0,0,0|3,0,0]=4 29 B14R1.160 C=C(C)CCC(=O)c1ccccc1Cl 1458a_100000185844_100000730704 [1,0,0,0,0,0|3,0,0]=4 30 B14R1.160 C=C(C)CCC(=O)c1ccccc1F 1458a_100000188656_100000730704 [1,0,0,0,0,0|3,0,0]=4 31 B14R1.160 C=C(C)CCC(=O)c1ccccc1I 1458a_100000187884_100000730704 [1,0,0,0,0,0|3,0,0]=4 32 B14R1.160 C=C(C)CCC(=O)c1ccccc1O 1458a_100015234032_100000730704 [1,0,0,0,0,0|3,0,0]=4 33 B14R1.160 C=C(C)CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000730704 [1,0,0,0,0,0|3,0,0]=4 34 B14R1.160 CC(=O)CCC(=O)c1ccccc1F 1458a_100000070787_100000086012 [1,0,0,0,0,0|2,0,0]=3 35 B14R1.160 CC(=O)CNC(=O)c1ccccc1C 1458a_100000184812_200000210301 [1,0,0,0,0,0|3,0,0]=4 36 B14R1.160 CC(=O)CNC(=O)c1ccccc1Cl 1458a_100000182550_200000210301 [1,0,0,0,0,0|3,0,0]=4 37 B14R1.160 CC(=O)CNC(=O)c1ccccc1F 1458a_100000182453_200000210301 [1,0,0,0,0,0|3,0,0]=4 38 B14R1.160 CC(=O)CNC(=O)c1ccccc1I 1458a_100000194700_200000210301 [1,0,0,0,0,0|3,0,0]=4 39 B14R1.160 CC(=O)CNC(=O)c1ccccc1O 1458a_100011193979_200000210301 [1,0,0,0,0,0|3,0,0]=4 40 B14R1.160 CC(=O)COC(=O)c1ccccc1O 271570a_203496583355_201991511838 [1,0,0,0,0,0|3,0,0]=4 41 B14R1.160 CC(O)CCC(=O)c1ccccc1Br 1458a_100000188424_100012276601 [1,0,0,0,0,0|2,0,1]=4 42 B14R1.160 CC(O)CCC(=O)c1ccccc1Cl 1458a_100000185844_100012276601 [1,0,0,0,0,0|2,0,1]=4 43 B14R1.160 CC(O)CCC(=O)c1ccccc1F 1458a_100000188656_100012276601 [1,0,0,0,0,0|2,0,1]=4 44 B14R1.160 CC(O)CCC(=O)c1ccccc1I 1458a_100000187884_100012276601 [1,0,0,0,0,0|2,0,1]=4 45 B14R1.160 CC(O)CCC(=O)c1ccccc1O 1458a_100015234032_100012276601 [1,0,0,0,0,0|2,0,1]=4 46 B14R1.160 CC(O)CCC(=O)c1ccccc1[O-] 1458a_100009911694_100012276601 [1,0,0,0,0,0|2,0,1]=4 47 B14R1.160 Cc1ccccc1C(=O)CCC(C)O 1458a_100000212026_100012276601 [1,0,0,0,0,0|2,0,1]=4 48 B14R1.160 Cc1ccccc1C(=O)NCC(=O)N 11a_100000711301_100000212026 [1,0,0,0,0,0|3,0,0]=4 49 B14R1.160 Cc1ccccc1C(=O)NCC(=O)N 240690a_100000711301_100000212026 [1,0,0,0,0,0|3,0,0]=4 50 B14R1.160 Cc1ccccc1C(=O)NCC(=O)N 527a_100000711301_100000212026 [1,0,0,0,0,0|3,0,0]=4 51 B14R1.160 Cc1ccccc1C(=O)NCC(=O)[13CH3] 1458a_100000184812_200025704644 [1,0,0,0,0,0|3,0,0]=4 52 B14R1.160 NC(=O)CNC(=O)c1ccccc1Br 11a_100000711301_100000188424 [1,0,0,0,0,0|3,0,0]=4 53 B14R1.160 NC(=O)CNC(=O)c1ccccc1Br 240690a_100000711301_100000188424 [1,0,0,0,0,0|3,0,0]=4 54 B14R1.160 NC(=O)CNC(=O)c1ccccc1Br 527a_100000711301_100000188424 [1,0,0,0,0,0|3,0,0]=4 55 B14R1.160 NC(=O)CNC(=O)c1ccccc1Cl 11a_100000711301_100000185844 [1,0,0,0,0,0|3,0,0]=4 56 B14R1.160 NC(=O)CNC(=O)c1ccccc1Cl 240690a_100000711301_100000185844 [1,0,0,0,0,0|3,0,0]=4 57 B14R1.160 NC(=O)CNC(=O)c1ccccc1Cl 527a_100000711301_100000185844 [1,0,0,0,0,0|3,0,0]=4 58 B14R1.160 NC(=O)CNC(=O)c1ccccc1F 11a_100000711301_100000188656 [1,0,0,0,0,0|3,0,0]=4 59 B14R1.160 NC(=O)CNC(=O)c1ccccc1F 240690a_100000711301_100000188656 [1,0,0,0,0,0|3,0,0]=4 60 B14R1.160 NC(=O)CNC(=O)c1ccccc1F 527a_100000711301_100000188656 [1,0,0,0,0,0|3,0,0]=4 61 B14R1.160 NC(=O)CNC(=O)c1ccccc1I 11a_100000711301_100000187884 [1,0,0,0,0,0|3,0,0]=4 62 B14R1.160 NC(=O)CNC(=O)c1ccccc1I 240690a_100000711301_100000187884 [1,0,0,0,0,0|3,0,0]=4 63 B14R1.160 NC(=O)CNC(=O)c1ccccc1I 527a_100000711301_100000187884 [1,0,0,0,0,0|3,0,0]=4 64 B14R1.160 NC(=O)CNC(=O)c1ccccc1O 240690a_100000711301_100015234032 [1,0,0,0,0,0|3,0,0]=4 65 B14R1.160 NC(=O)CNC(=O)c1ccccc1[O-] 240690a_100000711301_100009911694 [1,0,0,0,0,0|3,0,0]=4 66 B14R1.160 NC(=O)CNC(=O)c1ccccc1[O-] 527a_100000711301_100009911694 [1,0,0,0,0,0|3,0,0]=4 67 B14R1.160 [13CH3]C(=O)CNC(=O)c1ccccc1Cl 1458a_100000182550_200025704644 [1,0,0,0,0,0|3,0,0]=4 68 B14R1.160 [13CH3]C(=O)CNC(=O)c1ccccc1F 1458a_100000182453_200025704644 [1,0,0,0,0,0|3,0,0]=4 69 B14R1.160 [13CH3]C(=O)CNC(=O)c1ccccc1I 1458a_100000194700_200025704644 [1,0,0,0,0,0|3,0,0]=4 70 B14R1.160 [13CH3]C(=O)CNC(=O)c1ccccc1O 1458a_100011193979_200025704644 [1,0,0,0,0,0|3,0,0]=4 71 B14R1.415 CC(=O)C(=O)CC(=O)c1ccccc1 1458a_100000185807_100011261029 [1,0,0,0,0,0|2,0,1]=4 72 B14R1.415 CC(=O)C(O)NC(=O)c1ccccc1 1458a_100000067094_200000210301 [1,0,0,0,0,0|3,0,0]=4 73 B14R1.415 CC(=O)[C@@H](C)NC(=O)c1ccccc1 1458a_100011504567_200000210301 [1,0,0,0,0,0|3,0,0]=4 74 B14R1.415 CC(=O)[C@@H](C)OC(=O)c1ccccc1 1458a_200035542198_200000210301 [1,0,0,0,0,0|3,0,0]=4 75 B14R1.415 C[C@@H](NC(=O)c1ccccc1)C(=O)N 11a_100000119354_100000185807 [1,0,0,0,0,0|3,0,0]=4 76 B14R1.415 C[C@@H](NC(=O)c1ccccc1)C(=O)N 240690a_100000119354_100000185807 [1,0,0,0,0,0|3,0,0]=4 77 B14R1.415 C[C@@H](NC(=O)c1ccccc1)C(=O)N 527a_100000119354_100000185807 [1,0,0,0,0,0|3,0,0]=4 78 B14R1.415 C[C@@H](NC(=O)c1ccccc1)C(=O)[13CH3] 1458a_100011504567_200025704644 [1,0,0,0,0,0|3,0,0]=4 79 B14R1.415 C[C@@H](OC(=O)c1ccccc1)C(=O)[13CH3] 1458a_200035542198_200025704644 [1,0,0,0,0,0|3,0,0]=4 80 B14R1.415 [13CH3]C(=O)C(O)NC(=O)c1ccccc1 1458a_100000067094_200025704644 [1,0,0,0,0,0|3,0,0]=4 81 B14R1.587 C[C@@H](CO)CC(=O)c1ccccc1Br 1458a_100000188424_100000059175 [1,0,0,0,0,0|2,0,1]=4 82 B14R1.587 C[C@@H](CO)CC(=O)c1ccccc1Cl 1458a_100000185844_100000059175 [1,0,0,0,0,0|2,0,1]=4 83 B14R1.587 C[C@@H](CO)CC(=O)c1ccccc1F 1458a_100000188656_100000059175 [1,0,0,0,0,0|2,0,1]=4 84 B14R1.587 C[C@@H](CO)CC(=O)c1ccccc1I 1458a_100000187884_100000059175 [1,0,0,0,0,0|2,0,1]=4 85 B14R1.587 C[C@@H](CO)CC(=O)c1ccccc1O 1458a_100015234032_100000059175 [1,0,0,0,0,0|2,0,1]=4 86 B14R1.587 C[C@@H](CO)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000059175 [1,0,0,0,0,0|2,0,1]=4 87 B14R1.587 Cc1ccccc1C(=O)C[C@@H](C)CO 1458a_100000212026_100000059175 [1,0,0,0,0,0|2,0,1]=4 88 B16R1.16904 COC(=O)C(=O)CC(=O)c1ccccc1O 271570a_203496583355_100000743152 [0,1,0,0,0,0|2,0,1]=4 89 B16R1.16904 COC(=O)[C@@H](C)NC(=O)c1ccccc1Br 188690a_100000687819_100000188424 [0,1,0,0,0,0|3,0,0]=4 90 B16R1.16904 COC(=O)[C@@H](C)NC(=O)c1ccccc1C 188690a_100000687819_100000212026 [0,1,0,0,0,0|3,0,0]=4 91 B16R1.16904 COC(=O)[C@@H](C)NC(=O)c1ccccc1Cl 188690a_100000687819_100000185844 [0,1,0,0,0,0|3,0,0]=4 92 B16R1.16904 COC(=O)[C@@H](C)NC(=O)c1ccccc1I 188690a_100000687819_100000187884 [0,1,0,0,0,0|3,0,0]=4 93 B16R1.16904 COC(=O)[C@@H](C)NC(=O)c1ccccc1O 188690a_100000687819_100015234032 [0,1,0,0,0,0|3,0,0]=4 94 B16R1.16904 COC(=O)[C@@H](C)NC(=O)c1ccccc1[O-] 188690a_100000687819_100009911694 [0,1,0,0,0,0|3,0,0]=4 95 B14R1.243 CC(=O)C(C)C(=O)c1ccccc1Br 1458a_100000188424_100000179758 [0,0,0,0,1,0|3,0,0]=4 96 B14R1.243 CC(=O)C(C)C(=O)c1ccccc1C 1458a_100000212026_100000179758 [0,0,0,0,1,0|3,0,0]=4 97 B14R1.243 CC(=O)C(C)C(=O)c1ccccc1Cl 1458a_100000070787_100010255250 [0,0,0,0,1,0|3,0,0]=4 98 B14R1.243 CC(=O)C(C)C(=O)c1ccccc1Cl 1458a_100000185844_100000179758 [0,0,0,0,1,0|3,0,0]=4 99 B14R1.243 CC(=O)C(C)C(=O)c1ccccc1F 1458a_100000188656_100000179758 [0,0,0,0,1,0|3,0,0]=4 100 B14R1.243 CC(=O)C(C)C(=O)c1ccccc1I 1458a_100000187884_100000179758 [0,0,0,0,1,0|3,0,0]=4 101 B14R1.243 CC(=O)C(C)C(=O)c1ccccc1O 1458a_100015234032_100000179758 [0,0,0,0,1,0|3,0,0]=4 102 B14R1.243 CC(=O)C(C)C(=O)c1ccccc1[O-] 1458a_100009911694_100000179758 [0,0,0,0,1,0|3,0,0]=4 103 B14R1.243 CC(C(=O)N)C(=O)c1ccccc1Br 1458a_100000188424_100000702099 [0,0,0,0,1,0|3,0,0]=4 104 B14R1.243 CC(C(=O)N)C(=O)c1ccccc1Cl 1458a_100000185844_100000702099 [0,0,0,0,1,0|3,0,0]=4 105 B14R1.243 CC(C(=O)N)C(=O)c1ccccc1F 1458a_100000188656_100000702099 [0,0,0,0,1,0|3,0,0]=4 106 B14R1.243 CC(C(=O)N)C(=O)c1ccccc1I 1458a_100000187884_100000702099 [0,0,0,0,1,0|3,0,0]=4 107 B14R1.243 CC(C(=O)N)C(=O)c1ccccc1O 1458a_100015234032_100000702099 [0,0,0,0,1,0|3,0,0]=4 108 B14R1.243 CC(C(=O)N)C(=O)c1ccccc1[O-] 1458a_100009911694_100000702099 [0,0,0,0,1,0|3,0,0]=4 109 B14R1.243 Cc1ccccc1C(=O)C(C)C(=O)N 1458a_100000212026_100000702099 [0,0,0,0,1,0|3,0,0]=4 110 B14R1.243 Cc1ccccc1C(=O)C(F)C(=O)N 1458a_100000212026_100009813875 [0,0,0,0,1,0|3,0,0]=4 111 B14R1.243 Cc1ccccc1C(=O)C(F)C(=O)[O-] 1458a_100000212026_100020610796 [0,0,0,0,1,0|2,0,1]=4 112 B14R1.243 NC(=O)C(F)C(=O)c1ccccc1Br 1458a_100000188424_100009813875 [0,0,0,0,1,0|3,0,0]=4 113 B14R1.243 NC(=O)C(F)C(=O)c1ccccc1Cl 1458a_100000185844_100009813875 [0,0,0,0,1,0|3,0,0]=4 114 B14R1.243 NC(=O)C(F)C(=O)c1ccccc1F 1458a_100000188656_100009813875 [0,0,0,0,1,0|3,0,0]=4 115 B14R1.243 NC(=O)C(F)C(=O)c1ccccc1I 1458a_100000187884_100009813875 [0,0,0,0,1,0|3,0,0]=4 116 B14R1.243 NC(=O)C(F)C(=O)c1ccccc1O 1458a_100015234032_100009813875 [0,0,0,0,1,0|3,0,0]=4 117 B14R1.243 NC(=O)C(F)C(=O)c1ccccc1[O-] 1458a_100009911694_100009813875 [0,0,0,0,1,0|3,0,0]=4 118 B14R1.243 O=C([O-])C(F)C(=O)c1ccccc1Br 1458a_100000188424_100020610796 [0,0,0,0,1,0|2,0,1]=4 119 B14R1.243 O=C([O-])C(F)C(=O)c1ccccc1Cl 1458a_100000185844_100020610796 [0,0,0,0,1,0|2,0,1]=4 120 B14R1.243 O=C([O-])C(F)C(=O)c1ccccc1F 1458a_100000188656_100020610796 [0,0,0,0,1,0|2,0,1]=4 121 B14R1.243 O=C([O-])C(F)C(=O)c1ccccc1I 1458a_100000187884_100020610796 [0,0,0,0,1,0|2,0,1]=4 122 B14R1.243 O=C([O-])C(F)C(=O)c1ccccc1O 1458a_100015234032_100020610796 [0,0,0,0,1,0|2,0,1]=4 123 B14R1.243 O=C([O-])C(F)C(=O)c1ccccc1[O-] 1458a_100009911694_100020610796 [0,0,0,0,1,0|2,0,1]=4 124 B16R1.7437 CN(CC(=O)O)CC(=O)c1ccccc1Br 269956a_100000746989_100000199116 [0,0,0,0,0,1|3,0,0]=4 125 B16R1.7437 CN(CC(=O)O)CC(=O)c1ccccc1Cl 269956a_100000746989_100000211432 [0,0,0,0,0,1|3,0,0]=4 126 B16R1.7437 CN(CC(=O)O)CC(=O)c1ccccc1F 269956a_100000746989_100000204681 [0,0,0,0,0,1|3,0,0]=4 127 B16R1.7437 CN(CC(=O)O)CC(=O)c1ccccc1O 269956a_100000746989_100000188908 [0,0,0,0,0,1|3,0,0]=4 128 B16R1.7437 Cc1ccccc1C(=O)CN(C)CC(=O)O 269956a_100000746989_100000741374 [0,0,0,0,0,1|3,0,0]=4 129 B16R1.10819 CC(=O)C(C)OCC(=O)c1ccccc1Br 34a_100000212229_100000199116 [0,0,0,0,0,1|3,0,0]=4 130 B16R1.10819 CC(=O)C(C)OCC(=O)c1ccccc1C 34a_100000212229_100000741374 [0,0,0,0,0,1|3,0,0]=4 131 B16R1.10819 CC(=O)C(C)OCC(=O)c1ccccc1Cl 34a_100000212229_100000211432 [0,0,0,0,0,1|3,0,0]=4 132 B16R1.10819 CC(=O)C(C)OCC(=O)c1ccccc1F 34a_100000212229_100000204681 [0,0,0,0,0,1|3,0,0]=4 133 B16R1.10819 CC(=O)C(C)SCC(=O)c1ccccc1Br 62a_100000199116_100009814033 [0,0,0,0,0,1|3,0,0]=4 134 B16R1.10819 CC(=O)C(C)SCC(=O)c1ccccc1C 62a_100000741374_100009814033 [0,0,0,0,0,1|3,0,0]=4 135 B16R1.10819 CC(=O)C(C)SCC(=O)c1ccccc1C 62a_100009814033_100000741374 [0,0,0,0,0,1|3,0,0]=4 136 B16R1.10819 CC(=O)C(C)SCC(=O)c1ccccc1Cl 62a_100000211432_100009814033 [0,0,0,0,0,1|3,0,0]=4 137 B16R1.10819 CC(=O)C(C)SCC(=O)c1ccccc1Cl 62a_100009814033_100000211432 [0,0,0,0,0,1|3,0,0]=4 138 B16R1.10819 CC(=O)C(C)SCC(=O)c1ccccc1F 62a_100000204681_100009814033 [0,0,0,0,0,1|3,0,0]=4 139 B16R1.10819 CC(=O)C(C)SCC(=O)c1ccccc1F 62a_100009814033_100000204681 [0,0,0,0,0,1|3,0,0]=4 140 B16R1.10819 CC(=O)C(C)SCC(=O)c1ccccc1O 62a_100000188908_100009814033 [0,0,0,0,0,1|3,0,0]=4 141 B16R1.10819 CC(=O)C(C)SCC(=O)c1ccccc1O 62a_100009814033_100000188908 [0,0,0,0,0,1|3,0,0]=4 142 B16R1.10819 CC(SCC(=O)c1ccccc1Br)C(=O)N 62a_100000199116_100000702099 [0,0,0,0,0,1|3,0,0]=4 143 B16R1.10819 CC(SCC(=O)c1ccccc1Cl)C(=O)N 62a_100000211432_100000702099 [0,0,0,0,0,1|3,0,0]=4 144 B16R1.10819 CC(SCC(=O)c1ccccc1Cl)C(=O)N 62a_100000702099_100000211432 [0,0,0,0,0,1|3,0,0]=4 145 B16R1.10819 CC(SCC(=O)c1ccccc1F)C(=O)N 62a_100000204681_100000702099 [0,0,0,0,0,1|3,0,0]=4 146 B16R1.10819 CC(SCC(=O)c1ccccc1F)C(=O)N 62a_100000702099_100000204681 [0,0,0,0,0,1|3,0,0]=4 147 B16R1.10819 CC(SCC(=O)c1ccccc1O)C(=O)N 62a_100000188908_100000702099 [0,0,0,0,0,1|3,0,0]=4 148 B16R1.10819 CC(SCC(=O)c1ccccc1O)C(=O)N 62a_100000702099_100000188908 [0,0,0,0,0,1|3,0,0]=4 149 B16R1.10819 C[C@@H](NCC(=O)c1ccccc1Br)C(=O)N 34a_100000119354_100000199116 [0,0,0,0,0,1|3,0,0]=4 150 B16R1.10819 C[C@@H](NCC(=O)c1ccccc1Cl)C(=O)N 34a_100000119354_100000211432 [0,0,0,0,0,1|3,0,0]=4 151 B16R1.10819 C[C@@H](NCC(=O)c1ccccc1F)C(=O)N 34a_100000119354_100000204681 [0,0,0,0,0,1|3,0,0]=4 152 B16R1.10819 C[C@@H](OCC(=O)c1ccccc1Br)C(=O)N 34a_100000731257_100000199116 [0,0,0,0,0,1|3,0,0]=4 153 B16R1.10819 C[C@@H](OCC(=O)c1ccccc1Cl)C(=O)N 34a_100000731257_100000211432 [0,0,0,0,0,1|3,0,0]=4 154 B16R1.10819 C[C@@H](OCC(=O)c1ccccc1F)C(=O)N 34a_100000731257_100000204681 [0,0,0,0,0,1|3,0,0]=4 155 B16R1.10819 C[C@@H](OCC(=O)c1ccccc1F)C(=O)N 7a_100000731257_100000204681 [0,0,0,0,0,1|3,0,0]=4 156 B16R1.10819 C[C@@H](OCC(=O)c1ccccc1O)C(=O)N 7a_100000731257_100000188908 [0,0,0,0,0,1|3,0,0]=4 157 B16R1.10819 C[C@H](NCC(=O)c1ccccc1Br)C(=O)O 269956a_100000743915_100000199116 [0,0,0,0,0,1|2,0,0]=3 158 B16R1.10819 C[C@H](NCC(=O)c1ccccc1Cl)C(=O)O 269956a_100000743915_100000211432 [0,0,0,0,0,1|2,0,0]=3 159 B16R1.10819 C[C@H](NCC(=O)c1ccccc1F)C(=O)O 269956a_100000743915_100000204681 [0,0,0,0,0,1|2,0,0]=3 160 B16R1.10819 C[C@H](NCC(=O)c1ccccc1O)C(=O)O 269956a_100000743915_100000188908 [0,0,0,0,0,1|2,0,0]=3 161 B16R1.10819 C[C@H](OCC(=O)c1ccccc1F)C(=O)[O-] 7a_217856618621_100000204681 [0,0,0,0,0,1|2,0,1]=4 162 B16R1.10819 C[C@H](OCC(=O)c1ccccc1O)C(=O)[O-] 7a_217856618621_100000188908 [0,0,0,0,0,1|2,0,1]=4 163 B16R1.10819 Cc1ccccc1C(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000741374 [0,0,0,0,0,1|2,0,0]=3 164 B16R1.10819 Cc1ccccc1C(=O)CN[C@H](C)C(=O)N 2230a_100000119354_100000741374 [0,0,0,0,0,1|3,0,0]=4 165 B16R1.10819 Cc1ccccc1C(=O)CN[C@H](C)C(=O)N 34a_100000119354_100000741374 [0,0,0,0,0,1|3,0,0]=4 166 B16R1.10819 Cc1ccccc1C(=O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000741374 [0,0,0,0,0,1|2,0,1]=4 167 B16R1.10819 Cc1ccccc1C(=O)CO[C@H](C)C(=O)N 34a_100000731257_100000741374 [0,0,0,0,0,1|3,0,0]=4 168 B16R1.10819 Cc1ccccc1C(=O)CO[C@H](C)C(=O)N 7a_100000731257_100000741374 [0,0,0,0,0,1|3,0,0]=4 169 B16R1.10819 Cc1ccccc1C(=O)CSC(C)C(=O)N 62a_100000702099_100000741374 [0,0,0,0,0,1|3,0,0]=4 170 B16R1.10819 Cc1ccccc1C(=O)CSC(C)C(=O)N 62a_100000741374_100000702099 [0,0,0,0,0,1|3,0,0]=4 171 B16R1.10819 Cc1ccccc1C(=O)CSC(F)C(=O)N 62a_100000741374_100009813875 [0,0,0,0,0,1|3,0,0]=4 172 B16R1.10819 Cc1ccccc1C(=O)CSC(F)C(=O)N 62a_100009813875_100000741374 [0,0,0,0,0,1|3,0,0]=4 173 B16R1.10819 Cc1ccccc1C(=O)CSC(F)C(=O)[O-] 62a_100000741374_100020610796 [0,0,0,0,0,1|2,0,1]=4 174 B16R1.10819 Cc1ccccc1C(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000741374 [0,0,0,0,0,1|2,0,1]=4 175 B16R1.10819 NC(=O)C(F)SCC(=O)c1ccccc1Br 62a_100000199116_100009813875 [0,0,0,0,0,1|3,0,0]=4 176 B16R1.10819 NC(=O)C(F)SCC(=O)c1ccccc1Cl 62a_100000211432_100009813875 [0,0,0,0,0,1|3,0,0]=4 177 B16R1.10819 NC(=O)C(F)SCC(=O)c1ccccc1Cl 62a_100009813875_100000211432 [0,0,0,0,0,1|3,0,0]=4 178 B16R1.10819 NC(=O)C(F)SCC(=O)c1ccccc1F 62a_100000204681_100009813875 [0,0,0,0,0,1|3,0,0]=4 179 B16R1.10819 NC(=O)C(F)SCC(=O)c1ccccc1F 62a_100009813875_100000204681 [0,0,0,0,0,1|3,0,0]=4 180 B16R1.10819 NC(=O)C(F)SCC(=O)c1ccccc1O 62a_100000188908_100009813875 [0,0,0,0,0,1|3,0,0]=4 181 B16R1.10819 NC(=O)C(F)SCC(=O)c1ccccc1O 62a_100009813875_100000188908 [0,0,0,0,0,1|3,0,0]=4 182 B16R1.10819 O=C(CSC(F)C(=O)[O-])c1ccccc1Br 62a_100000199116_100020610796 [0,0,0,0,0,1|2,0,1]=4 183 B16R1.10819 O=C(CSC(F)C(=O)[O-])c1ccccc1Cl 62a_100000211432_100020610796 [0,0,0,0,0,1|2,0,1]=4 184 B16R1.10819 O=C(CSC(F)C(=O)[O-])c1ccccc1Cl 62a_100020610796_100000211432 [0,0,0,0,0,1|2,0,1]=4 185 B16R1.10819 O=C(CSC(F)C(=O)[O-])c1ccccc1F 62a_100000204681_100020610796 [0,0,0,0,0,1|2,0,1]=4 186 B16R1.10819 O=C(CSC(F)C(=O)[O-])c1ccccc1F 62a_100020610796_100000204681 [0,0,0,0,0,1|2,0,1]=4 187 B16R1.10819 O=C(CSC(F)C(=O)[O-])c1ccccc1O 62a_100000188908_100020610796 [0,0,0,0,0,1|2,0,1]=4 188 B16R1.10819 O=C(CSC(F)C(=O)[O-])c1ccccc1O 62a_100020610796_100000188908 [0,0,0,0,0,1|2,0,1]=4 189 B13R1.45 C=C(C)CCC(=O)c1ccccc1 1458a_100000185807_100000730704 [2,0,0,0,0,0|2,0,0]=4 190 B13R1.45 CC(=O)CCC(=O)c1ccccc1 1458a_100000070787_100000750707 [2,0,0,0,0,0|1,0,0]=3 191 B13R1.45 CC(=O)CNC(=O)c1ccccc1 1458a_100000182045_200000210301 [2,0,0,0,0,0|2,0,0]=4 192 B13R1.45 CC(=O)COC(=O)c1ccccc1 1458a_100000070787_100000073877 [2,0,0,0,0,0|2,0,0]=4 193 B13R1.45 CC(O)CCC(=O)c1ccccc1 1458a_100000185807_100012276601 [2,0,0,0,0,0|1,0,1]=4 194 B13R1.45 NC(=O)CNC(=O)c1ccccc1 11a_100000711301_100000185807 [2,0,0,0,0,0|2,0,0]=4 195 B13R1.45 NC(=O)CNC(=O)c1ccccc1 240690a_100000711301_100000185807 [2,0,0,0,0,0|2,0,0]=4 196 B13R1.45 NC(=O)CNC(=O)c1ccccc1 527a_100000711301_100000185807 [2,0,0,0,0,0|2,0,0]=4 197 B13R1.45 [13CH3]C(=O)CNC(=O)c1ccccc1 1458a_100000182045_200025704644 [2,0,0,0,0,0|2,0,0]=4 198 B13R1.158 CC(=O)CCOc1ccccc1N 7a_100000185747_100000053229 [2,0,0,0,0,0|2,0,0]=4 199 B13R1.158 CC(=O)CCSc1ccccc1N 62a_100000053229_100000210017 [2,0,0,0,0,0|2,0,0]=4 200 B13R1.158 CC(=O)CCSc1ccccc1N 62a_100000210017_100000053229 [2,0,0,0,0,0|2,0,0]=4 201 B13R1.158 NC(=O)CCOc1ccccc1N 34a_100000185747_100000731001 [2,0,0,0,0,0|2,0,0]=4 202 B13R1.158 NC(=O)CCOc1ccccc1N 7a_100000185747_100000744528 [2,0,0,0,0,0|2,0,0]=4 203 B13R1.158 NC(=O)CCSc1ccccc1N 62a_100000210017_100000744528 [2,0,0,0,0,0|2,0,0]=4 204 B13R1.158 NC(=O)CCSc1ccccc1N 62a_100000744528_100000210017 [2,0,0,0,0,0|2,0,0]=4 205 B13R1.674 C=CCCC(=O)c1ccccc1Br 1458a_100000188424_100000754431 [2,0,0,0,0,0|2,0,0]=4 206 B13R1.674 C=CCCC(=O)c1ccccc1C 1458a_100000212026_100000754431 [2,0,0,0,0,0|2,0,0]=4 207 B13R1.674 C=CCCC(=O)c1ccccc1Cl 1458a_100000185844_100000754431 [2,0,0,0,0,0|2,0,0]=4 208 B13R1.674 C=CCCC(=O)c1ccccc1F 1458a_100000188656_100000754431 [2,0,0,0,0,0|2,0,0]=4 209 B13R1.674 C=CCCC(=O)c1ccccc1I 1458a_100000187884_100000754431 [2,0,0,0,0,0|2,0,0]=4 210 B13R1.674 C=CCCC(=O)c1ccccc1O 1458a_100015234032_100000754431 [2,0,0,0,0,0|2,0,0]=4 211 B13R1.674 C=CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000754431 [2,0,0,0,0,0|2,0,0]=4 212 B13R1.674 Cc1ccccc1C(=O)CCCO 1458a_100000212026_100011215043 [2,0,0,0,0,0|1,0,1]=4 213 B13R1.674 O=C(CCCO)c1ccccc1Br 1458a_100000188424_100011215043 [2,0,0,0,0,0|1,0,1]=4 214 B13R1.674 O=C(CCCO)c1ccccc1Cl 1458a_100000185844_100011215043 [2,0,0,0,0,0|1,0,1]=4 215 B13R1.674 O=C(CCCO)c1ccccc1F 1458a_100000188656_100011215043 [2,0,0,0,0,0|1,0,1]=4 216 B13R1.674 O=C(CCCO)c1ccccc1I 1458a_100000187884_100011215043 [2,0,0,0,0,0|1,0,1]=4 217 B13R1.674 O=C(CCCO)c1ccccc1O 1458a_100015234032_100011215043 [2,0,0,0,0,0|1,0,1]=4 218 B13R1.674 O=C(CCCO)c1ccccc1[O-] 1458a_100009911694_100011215043 [2,0,0,0,0,0|1,0,1]=4 219 B13R1.11 C[C@@H](CO)CC(=O)c1ccccc1 1458a_100000185807_100000059175 [2,0,0,0,0,0|1,0,1]=4 220 B13R1.201 CC(O)CC(=O)c1ccccc1Br 1458a_100000188424_100011218427 [2,0,0,0,0,0|2,0,0]=4 221 B13R1.201 CC(O)CC(=O)c1ccccc1Cl 1458a_100000185844_100011218427 [2,0,0,0,0,0|2,0,0]=4 222 B13R1.201 CC(O)CC(=O)c1ccccc1F 1458a_100000188656_100011218427 [2,0,0,0,0,0|2,0,0]=4 223 B13R1.201 CC(O)CC(=O)c1ccccc1I 1458a_100000187884_100011218427 [2,0,0,0,0,0|2,0,0]=4 224 B13R1.201 CC(O)CC(=O)c1ccccc1O 1458a_100015234032_100011218427 [2,0,0,0,0,0|2,0,0]=4 225 B13R1.201 CC(O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100011218427 [2,0,0,0,0,0|2,0,0]=4 226 B13R1.201 Cc1ccccc1C(=O)CC(=O)N 1458a_100000212026_100000187820 [2,0,0,0,0,0|1,0,1]=4 227 B13R1.201 Cc1ccccc1C(=O)CC(C)O 1458a_100000212026_100011218427 [2,0,0,0,0,0|2,0,0]=4 228 B13R1.201 NC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000187820 [2,0,0,0,0,0|1,0,1]=4 229 B13R1.201 NC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000187820 [2,0,0,0,0,0|1,0,1]=4 230 B13R1.201 NC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000187820 [2,0,0,0,0,0|1,0,1]=4 231 B13R1.201 NC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000187820 [2,0,0,0,0,0|1,0,1]=4 232 B13R1.201 NC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000187820 [2,0,0,0,0,0|1,0,1]=4 233 B13R1.201 NC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000187820 [2,0,0,0,0,0|1,0,1]=4 234 B15R1.5815 C#CC(=O)CCC(=O)c1ccccc1F 1458a_100000211873_100000086012 [1,1,0,0,0,0|2,0,0]=4 235 B15R1.5815 C=CC(=O)CCC(=O)c1ccccc1F 1458a_100000185746_100000086012 [1,1,0,0,0,0|2,0,0]=4 236 B15R1.5815 CCC(=O)CCC(=O)c1ccccc1F 1458a_100000210414_100000086012 [1,1,0,0,0,0|2,0,0]=4 237 B15R1.5815 COC(=O)CNC(=O)c1ccccc1Br 188690a_100000185156_100000188424 [1,1,0,0,0,0|2,0,0]=4 238 B15R1.5815 COC(=O)CNC(=O)c1ccccc1C 188690a_100000185156_100000212026 [1,1,0,0,0,0|2,0,0]=4 239 B15R1.5815 COC(=O)CNC(=O)c1ccccc1Cl 188690a_100000185156_100000185844 [1,1,0,0,0,0|2,0,0]=4 240 B15R1.5815 COC(=O)CNC(=O)c1ccccc1I 188690a_100000185156_100000187884 [1,1,0,0,0,0|2,0,0]=4 241 B15R1.5815 COC(=O)CNC(=O)c1ccccc1O 188690a_100000185156_100015234032 [1,1,0,0,0,0|2,0,0]=4 242 B15R1.5815 COC(=O)CNC(=O)c1ccccc1[O-] 188690a_100000185156_100009911694 [1,1,0,0,0,0|2,0,0]=4 243 B15R1.5815 O=C(CO)CCC(=O)c1ccccc1F 1458a_100000210174_100000086012 [1,1,0,0,0,0|1,0,0]=3 244 B15R1.5822 CC(=O)CCC(=O)c1ccc(cc1F)Br 1458a_100000070787_100010339771 [1,1,0,0,0,0|2,0,0]=4 245 B15R1.1323 COC(=O)C(C)COc1ccccc1N 34a_100000185747_100000698445 [1,1,0,0,0,0|2,0,0]=4 246 B15R1.1323 COC(=O)C(C)CSc1ccccc1N 62a_100000210017_100000698445 [1,1,0,0,0,0|2,0,0]=4 247 B15R1.1323 COC(=O)C(C)CSc1ccccc1N 62a_100000698445_100000210017 [1,1,0,0,0,0|2,0,0]=4 248 B15R1.947 COC(=O)[C@@H](C)NC(=O)c1ccccc1 188690a_100000687819_100000185807 [1,1,0,0,0,0|2,0,0]=4 249 B17R1.2545 C=C[C@H](NCC(=O)c1ccccc1Br)C(=O)O 269956a_100016992060_100000199116 [0,1,0,0,0,1|2,0,0]=4 250 B17R1.2545 C=C[C@H](NCC(=O)c1ccccc1C)C(=O)O 269956a_100016992060_100000741374 [0,1,0,0,0,1|2,0,0]=4 251 B17R1.2545 C=C[C@H](NCC(=O)c1ccccc1Cl)C(=O)O 269956a_100016992060_100000211432 [0,1,0,0,0,1|2,0,0]=4 252 B17R1.2545 C=C[C@H](NCC(=O)c1ccccc1F)C(=O)O 269956a_100016992060_100000204681 [0,1,0,0,0,1|2,0,0]=4 253 B17R1.2545 C=C[C@H](NCC(=O)c1ccccc1O)C(=O)O 269956a_100016992060_100000188908 [0,1,0,0,0,1|2,0,0]=4 254 B17R1.2545 CC[C@@H](NCC(=O)c1ccccc1Br)C(=O)O 269956a_100000747097_100000199116 [0,1,0,0,0,1|2,0,0]=4 255 B17R1.2545 CC[C@@H](NCC(=O)c1ccccc1C)C(=O)O 269956a_100000747097_100000741374 [0,1,0,0,0,1|2,0,0]=4 256 B17R1.2545 CC[C@@H](NCC(=O)c1ccccc1Cl)C(=O)O 269956a_100000747097_100000211432 [0,1,0,0,0,1|2,0,0]=4 257 B17R1.2545 CC[C@@H](NCC(=O)c1ccccc1F)C(=O)O 269956a_100000747097_100000204681 [0,1,0,0,0,1|2,0,0]=4 258 B17R1.2545 CC[C@@H](NCC(=O)c1ccccc1O)C(=O)O 269956a_100000747097_100000188908 [0,1,0,0,0,1|2,0,0]=4 259 B17R1.2545 Cc1ccccc1C(=O)CNC(CO)C(=O)O 269956a_100000187304_100000741374 [0,1,0,0,0,1|2,0,0]=4 260 B17R1.2545 O=C(CNC(CO)C(=O)O)c1ccccc1Br 269956a_100000187304_100000199116 [0,1,0,0,0,1|2,0,0]=4 261 B17R1.2545 O=C(CNC(CO)C(=O)O)c1ccccc1Cl 269956a_100000187304_100000211432 [0,1,0,0,0,1|2,0,0]=4 262 B17R1.2545 O=C(CNC(CO)C(=O)O)c1ccccc1F 269956a_100000187304_100000204681 [0,1,0,0,0,1|2,0,0]=4 263 B17R1.2545 O=C(CNC(CO)C(=O)O)c1ccccc1O 269956a_100000187304_100000188908 [0,1,0,0,0,1|2,0,0]=4 264 B17R1.8855 C[C@H](NCC(=O)c1cccc(c1F)Br)C(=O)O 269956a_100000743915_100012356374 [0,1,0,0,0,1|2,0,0]=4 265 B17R1.8855 C[C@H](NCC(=O)c1cccc(c1F)Cl)C(=O)O 269956a_100000743915_200012351890 [0,1,0,0,0,1|2,0,0]=4 266 B17R1.8855 Cc1c(cccc1C(=O)CN[C@@H](C)C(=O)O)I 269956a_100000743915_100160470822 [0,1,0,0,0,1|2,0,0]=4 267 B17R1.9071 C[C@H](NCC(=O)c1ccc(cc1Br)F)C(=O)O 269956a_100000743915_100012361341 [0,1,0,0,0,1|2,0,0]=4 268 B17R1.9071 C[C@H](NCC(=O)c1ccc(cc1Cl)Cl)C(=O)O 269956a_100000743915_100011218845 [0,1,0,0,0,1|2,0,0]=4 269 B17R1.9071 C[C@H](NCC(=O)c1ccc(cc1Cl)F)C(=O)O 269956a_100000743915_100012056422 [0,1,0,0,0,1|2,0,0]=4 270 B17R1.9071 C[C@H](NCC(=O)c1ccc(cc1F)Br)C(=O)O 269956a_100000743915_200012361339 [0,1,0,0,0,1|2,0,0]=4 271 B17R1.9071 C[C@H](NCC(=O)c1ccc(cc1F)Cl)C(=O)O 269956a_100000743915_100012351891 [0,1,0,0,0,1|2,0,0]=4 272 B17R1.9071 C[C@H](NCC(=O)c1ccc(cc1F)F)C(=O)O 269956a_100000743915_100000229962 [0,1,0,0,0,1|2,0,0]=4 273 B17R1.9071 C[C@H](NCC(=O)c1ccc(cc1O)F)C(=O)O 269956a_100000743915_100009817053 [0,1,0,0,0,1|2,0,0]=4 274 B17R1.9071 C[C@H](NCC(=O)c1ccc(cc1O)O)C(=O)O 269956a_100000743915_100009814262 [0,1,0,0,0,1|2,0,0]=4 275 B17R1.9071 Cc1ccc(c(c1)C)C(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000229959 [0,1,0,0,0,1|2,0,0]=4 276 B17R1.9096 C[C@H](NCC(=O)c1cc(ccc1Br)Cl)C(=O)O 269956a_100000743915_100012361344 [0,1,0,0,0,1|2,0,0]=4 277 B17R1.9096 C[C@H](NCC(=O)c1cc(ccc1Cl)Cl)C(=O)O 269956a_100000743915_100000183120 [0,1,0,0,0,1|2,0,0]=4 278 B17R1.9096 C[C@H](NCC(=O)c1cc(ccc1Cl)F)C(=O)O 269956a_100000743915_200010187420 [0,1,0,0,0,1|2,0,0]=4 279 B17R1.9096 C[C@H](NCC(=O)c1cc(ccc1F)F)C(=O)O 269956a_100000743915_100000211571 [0,1,0,0,0,1|2,0,0]=4 280 B17R1.9096 C[C@H](NCC(=O)c1cc(ccc1O)Br)C(=O)O 269956a_100000743915_200009828000 [0,1,0,0,0,1|2,0,0]=4 281 B17R1.9096 C[C@H](NCC(=O)c1cc(ccc1O)Cl)C(=O)O 269956a_100000743915_200009816716 [0,1,0,0,0,1|2,0,0]=4 282 B17R1.9096 C[C@H](NCC(=O)c1cc(ccc1O)F)C(=O)O 269956a_100000743915_100009814381 [0,1,0,0,0,1|2,0,0]=4 283 B17R1.9096 C[C@H](NCC(=O)c1cc(ccc1O)O)C(=O)O 269956a_100000743915_100009814097 [0,1,0,0,0,1|2,0,0]=4 284 B17R1.9096 Cc1ccc(c(c1)C(=O)CN[C@@H](C)C(=O)O)C 269956a_100000743915_100000183774 [0,1,0,0,0,1|2,0,0]=4 285 B17R1.14438 C[C@H](NCC(=O)c1c(cccc1Cl)Cl)C(=O)O 269956a_100000743915_100012340516 [0,1,0,0,0,1|2,0,0]=4 286 B17R1.14438 C[C@H](NCC(=O)c1c(cccc1Cl)F)C(=O)O 269956a_100000743915_100011219195 [0,1,0,0,0,1|2,0,0]=4 287 B17R1.14438 C[C@H](NCC(=O)c1c(cccc1F)F)C(=O)O 269956a_100000743915_100000199083 [0,1,0,0,0,1|2,0,0]=4 288 B17R1.24366 COC(=O)C(C)CCC(=O)c1ccccc1Br 1458a_100000188424_100000034942 [0,1,0,0,0,1|2,0,0]=4 289 B17R1.24366 COC(=O)C(C)CCC(=O)c1ccccc1C 1458a_100000212026_100000034942 [0,1,0,0,0,1|2,0,0]=4 290 B17R1.24366 COC(=O)C(C)CCC(=O)c1ccccc1Cl 1458a_100000185844_100000034942 [0,1,0,0,0,1|2,0,0]=4 291 B17R1.24366 COC(=O)C(C)CCC(=O)c1ccccc1F 1458a_100000188656_100000034942 [0,1,0,0,0,1|2,0,0]=4 292 B17R1.24366 COC(=O)C(C)CCC(=O)c1ccccc1I 1458a_100000187884_100000034942 [0,1,0,0,0,1|2,0,0]=4 293 B17R1.24366 COC(=O)C(C)CCC(=O)c1ccccc1O 1458a_100015234032_100000034942 [0,1,0,0,0,1|2,0,0]=4 294 B17R1.24366 COC(=O)C(C)CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000034942 [0,1,0,0,0,1|2,0,0]=4 295 B17R1.24366 COC(=O)C(C)OCC(=O)c1ccccc1Br 34a_100011215400_100000199116 [0,1,0,0,0,1|2,0,0]=4 296 B17R1.24366 COC(=O)C(C)OCC(=O)c1ccccc1C 34a_100011215400_100000741374 [0,1,0,0,0,1|2,0,0]=4 297 B17R1.24366 COC(=O)C(C)OCC(=O)c1ccccc1Cl 34a_100011215400_100000211432 [0,1,0,0,0,1|2,0,0]=4 298 B17R1.24366 COC(=O)C(C)OCC(=O)c1ccccc1F 34a_100011215400_100000204681 [0,1,0,0,0,1|2,0,0]=4 299 B17R1.24366 COC(=O)C(C)SCC(=O)c1ccccc1Br 62a_100000199116_100000211248 [0,1,0,0,0,1|2,0,0]=4 300 B17R1.24366 COC(=O)C(C)SCC(=O)c1ccccc1C 62a_100000211248_100000741374 [0,1,0,0,0,1|2,0,0]=4 301 B17R1.24366 COC(=O)C(C)SCC(=O)c1ccccc1C 62a_100000741374_100000211248 [0,1,0,0,0,1|2,0,0]=4 302 B17R1.24366 COC(=O)C(C)SCC(=O)c1ccccc1Cl 62a_100000211248_100000211432 [0,1,0,0,0,1|2,0,0]=4 303 B17R1.24366 COC(=O)C(C)SCC(=O)c1ccccc1Cl 62a_100000211432_100000211248 [0,1,0,0,0,1|2,0,0]=4 304 B17R1.24366 COC(=O)C(C)SCC(=O)c1ccccc1F 62a_100000204681_100000211248 [0,1,0,0,0,1|2,0,0]=4 305 B17R1.24366 COC(=O)C(C)SCC(=O)c1ccccc1F 62a_100000211248_100000204681 [0,1,0,0,0,1|2,0,0]=4 306 B17R1.24366 COC(=O)C(C)SCC(=O)c1ccccc1O 62a_100000188908_100000211248 [0,1,0,0,0,1|2,0,0]=4 307 B17R1.24366 COC(=O)C(C)SCC(=O)c1ccccc1O 62a_100000211248_100000188908 [0,1,0,0,0,1|2,0,0]=4 308 B17R1.24366 COC(=O)C(O)CNC(=O)c1ccccc1Br 188690a_100000695228_100000188424 [0,1,0,0,0,1|2,0,0]=4 309 B17R1.24366 COC(=O)C(O)CNC(=O)c1ccccc1C 188690a_100000695228_100000212026 [0,1,0,0,0,1|2,0,0]=4 310 B17R1.24366 COC(=O)C(O)CNC(=O)c1ccccc1Cl 188690a_100000695228_100000185844 [0,1,0,0,0,1|2,0,0]=4 311 B17R1.24366 COC(=O)C(O)CNC(=O)c1ccccc1I 188690a_100000695228_100000187884 [0,1,0,0,0,1|2,0,0]=4 312 B17R1.24366 COC(=O)C(O)CNC(=O)c1ccccc1O 188690a_100000695228_100015234032 [0,1,0,0,0,1|2,0,0]=4 313 B17R1.24366 COC(=O)C(O)CNC(=O)c1ccccc1[O-] 188690a_100000695228_100009911694 [0,1,0,0,0,1|2,0,0]=4 314 B17R1.27040 COc1ccccc1C(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000195505 [0,1,0,0,0,1|2,0,0]=4 315 B15R2.6 CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000070787_100011218569 [1,0,0,1,0,0|2,0,0]=4 316 B15R2.6 CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_200000210301 [1,0,0,1,0,0|2,0,0]=4 317 B15R2.6 [13CH3]C(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_200025704644 [1,0,0,1,0,0|2,0,0]=4 318 B17R2.18632 Cc1ccccc1C(=O)CC2COC(=O)O2 1458a_100000212026_100000073702 [0,0,0,1,0,1|2,0,0]=4 319 B17R2.18632 Cc1ccccc1C(=O)C[C@H]2COC(=O)N2 1458a_100000212026_100015307671 [0,0,0,1,0,1|2,0,0]=4 320 B17R2.18632 O=C1N[C@H](CO1)CC(=O)c2ccccc2Br 1458a_100000188424_100015307671 [0,0,0,1,0,1|2,0,0]=4 321 B17R2.18632 O=C1N[C@H](CO1)CC(=O)c2ccccc2Cl 1458a_100000185844_100015307671 [0,0,0,1,0,1|2,0,0]=4 322 B17R2.18632 O=C1N[C@H](CO1)CC(=O)c2ccccc2F 1458a_100000188656_100015307671 [0,0,0,1,0,1|2,0,0]=4 323 B17R2.18632 O=C1N[C@H](CO1)CC(=O)c2ccccc2I 1458a_100000187884_100015307671 [0,0,0,1,0,1|2,0,0]=4 324 B17R2.18632 O=C1N[C@H](CO1)CC(=O)c2ccccc2O 1458a_100015234032_100015307671 [0,0,0,1,0,1|2,0,0]=4 325 B17R2.18632 O=C1N[C@H](CO1)CC(=O)c2ccccc2[O-] 1458a_100009911694_100015307671 [0,0,0,1,0,1|2,0,0]=4 326 B17R2.18632 O=C1OCC(O1)CC(=O)c2ccccc2Br 1458a_100000188424_100000073702 [0,0,0,1,0,1|2,0,0]=4 327 B17R2.18632 O=C1OCC(O1)CC(=O)c2ccccc2Cl 1458a_100000185844_100000073702 [0,0,0,1,0,1|2,0,0]=4 328 B17R2.18632 O=C1OCC(O1)CC(=O)c2ccccc2F 1458a_100000188656_100000073702 [0,0,0,1,0,1|2,0,0]=4 329 B17R2.18632 O=C1OCC(O1)CC(=O)c2ccccc2I 1458a_100000187884_100000073702 [0,0,0,1,0,1|2,0,0]=4 330 B17R2.18632 O=C1OCC(O1)CC(=O)c2ccccc2O 1458a_100015234032_100000073702 [0,0,0,1,0,1|2,0,0]=4 331 B17R2.18632 O=C1OCC(O1)CC(=O)c2ccccc2[O-] 1458a_100009911694_100000073702 [0,0,0,1,0,1|2,0,0]=4 332 B17R2.26374 C[C@H](NC1Cc2ccccc2C1=O)C(=O)O 269956a_100000743915_100011218503 [0,0,0,1,0,1|2,0,0]=4 333 B17R2.289 CN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N 2230a_100015190000_200000210301 [0,1,0,1,0,0|2,0,0]=4 334 B17R2.289 [13CH3]N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N 2230a_100015190000_200025704644 [0,1,0,1,0,0|2,0,0]=4 335 B13R1.152 CC(=O)C(C)C(=O)c1ccccc1 1458a_100000070787_100000239700 [1,0,0,0,1,0|2,0,0]=4 336 B13R1.152 CC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000179758 [1,0,0,0,1,0|2,0,0]=4 337 B13R1.152 CC(C(=O)N)C(=O)c1ccccc1 1458a_100000185807_100000702099 [1,0,0,0,1,0|2,0,0]=4 338 B13R1.152 NC(=O)C(F)C(=O)c1ccccc1 1458a_100000185807_100009813875 [1,0,0,0,1,0|2,0,0]=4 339 B13R1.152 O=C([O-])C(F)C(=O)c1ccccc1 1458a_100000185807_100020610796 [1,0,0,0,1,0|1,0,1]=4 340 B15R1.256 CC(=O)CCC(=O)Nc1ccccc1C 1458a_200000180964_200000210301 [1,0,0,0,0,1|2,0,0]=4 341 B15R1.256 CC(=O)CCC(=O)Nc1ccccc1O 1458a_100000011731_200000210301 [1,0,0,0,0,1|2,0,0]=4 342 B15R1.256 Cc1ccccc1CC(=O)CCC(=O)N 1458a_100011215257_100000211839 [1,0,0,0,0,1|2,0,0]=4 343 B15R1.256 Cc1ccccc1NC(=O)CCC(=O)N 22a_100015192222_100011215257 [1,0,0,0,0,1|2,0,0]=4 344 B15R1.256 Cc1ccccc1NC(=O)CCC(=O)N 527a_100015192222_100011215257 [1,0,0,0,0,1|2,0,0]=4 345 B15R1.256 Cc1ccccc1NC(=O)CCC(=O)[13CH3] 1458a_200000180964_200025704644 [1,0,0,0,0,1|2,0,0]=4 346 B15R1.256 NC(=O)CCC(=O)Cc1ccccc1Br 1458a_100011215257_100000184730 [1,0,0,0,0,1|2,0,0]=4 347 B15R1.256 NC(=O)CCC(=O)Cc1ccccc1Cl 1458a_100011215257_100000187162 [1,0,0,0,0,1|2,0,0]=4 348 B15R1.256 NC(=O)CCC(=O)Cc1ccccc1F 1458a_100011215257_100000187165 [1,0,0,0,0,1|2,0,0]=4 349 B15R1.256 NC(=O)CCC(=O)Cc1ccccc1I 1458a_100011215257_100011216222 [1,0,0,0,0,1|2,0,0]=4 350 B15R1.256 NC(=O)CCC(=O)Nc1ccccc1Cl 22a_100000185783_100011215257 [1,0,0,0,0,1|2,0,0]=4 351 B15R1.256 NC(=O)CCC(=O)Nc1ccccc1Cl 527a_100000185783_100011215257 [1,0,0,0,0,1|2,0,0]=4 352 B15R1.256 NC(=O)CCC(=O)Nc1ccccc1F 22a_100000210422_100011215257 [1,0,0,0,0,1|2,0,0]=4 353 B15R1.256 NC(=O)CCC(=O)Nc1ccccc1F 527a_100000210422_100011215257 [1,0,0,0,0,1|2,0,0]=4 354 B15R1.256 NC(=O)CCC(=O)Nc1ccccc1O 22a_100000185747_100011215257 [1,0,0,0,0,1|2,0,0]=4 355 B15R1.256 NC(=O)CCC(=O)Nc1ccccc1O 527a_100000185747_100011215257 [1,0,0,0,0,1|2,0,0]=4 356 B15R1.256 [13CH3]C(=O)CCC(=O)Nc1ccccc1O 1458a_100000011731_200025704644 [1,0,0,0,0,1|2,0,0]=4 357 B15R1.8019 CC(=O)CCCC(=O)c1ccccc1Br 1458a_100000188424_100011215641 [1,0,0,0,0,1|2,0,0]=4 358 B15R1.8019 CC(=O)CCCC(=O)c1ccccc1C 1458a_100000212026_100011215641 [1,0,0,0,0,1|2,0,0]=4 359 B15R1.8019 CC(=O)CCCC(=O)c1ccccc1Cl 1458a_100000185844_100011215641 [1,0,0,0,0,1|2,0,0]=4 360 B15R1.8019 CC(=O)CCCC(=O)c1ccccc1F 1458a_100000188656_100011215641 [1,0,0,0,0,1|2,0,0]=4 361 B15R1.8019 CC(=O)CCCC(=O)c1ccccc1I 1458a_100000187884_100011215641 [1,0,0,0,0,1|2,0,0]=4 362 B15R1.8019 CC(=O)CCCC(=O)c1ccccc1O 1458a_100015234032_100011215641 [1,0,0,0,0,1|2,0,0]=4 363 B15R1.8019 CC(=O)CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100011215641 [1,0,0,0,0,1|2,0,0]=4 364 B15R1.8019 CC(=O)CCNC(=O)c1ccccc1C 1458a_100000195313_200000210301 [1,0,0,0,0,1|2,0,0]=4 365 B15R1.8019 CC(=O)CCNC(=O)c1ccccc1Cl 1458a_100000182440_200000210301 [1,0,0,0,0,1|2,0,0]=4 366 B15R1.8019 CC(=O)COCC(=O)c1ccccc1Br 34a_100000211253_100000199116 [1,0,0,0,0,1|2,0,0]=4 367 B15R1.8019 CC(=O)COCC(=O)c1ccccc1C 34a_100000211253_100000741374 [1,0,0,0,0,1|2,0,0]=4 368 B15R1.8019 CC(=O)COCC(=O)c1ccccc1Cl 34a_100000211253_100000211432 [1,0,0,0,0,1|2,0,0]=4 369 B15R1.8019 CC(=O)COCC(=O)c1ccccc1F 34a_100000211253_100000204681 [1,0,0,0,0,1|2,0,0]=4 370 B15R1.8019 CC(=O)NCCC(=O)c1ccccc1Br 1458a_100000188424_100000189650 [1,0,0,0,0,1|2,0,0]=4 371 B15R1.8019 CC(=O)NCCC(=O)c1ccccc1C 1458a_100000212026_100000189650 [1,0,0,0,0,1|2,0,0]=4 372 B15R1.8019 CC(=O)NCCC(=O)c1ccccc1Cl 1458a_100000185844_100000189650 [1,0,0,0,0,1|2,0,0]=4 373 B15R1.8019 CC(=O)NCCC(=O)c1ccccc1F 1458a_100000188656_100000189650 [1,0,0,0,0,1|2,0,0]=4 374 B15R1.8019 CC(=O)NCCC(=O)c1ccccc1I 1458a_100000187884_100000189650 [1,0,0,0,0,1|2,0,0]=4 375 B15R1.8019 CC(=O)NCCC(=O)c1ccccc1O 1458a_100015234032_100000189650 [1,0,0,0,0,1|2,0,0]=4 376 B15R1.8019 CC(=O)NCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000189650 [1,0,0,0,0,1|2,0,0]=4 377 B15R1.8019 CC(=O)OCCC(=O)c1ccccc1Br 1458a_100000188424_100009814007 [1,0,0,0,0,1|2,0,0]=4 378 B15R1.8019 CC(=O)OCCC(=O)c1ccccc1C 1458a_100000212026_100009814007 [1,0,0,0,0,1|2,0,0]=4 379 B15R1.8019 CC(=O)OCCC(=O)c1ccccc1Cl 1458a_100000185844_100009814007 [1,0,0,0,0,1|2,0,0]=4 380 B15R1.8019 CC(=O)OCCC(=O)c1ccccc1F 1458a_100000188656_100009814007 [1,0,0,0,0,1|2,0,0]=4 381 B15R1.8019 CC(=O)OCCC(=O)c1ccccc1I 1458a_100000187884_100009814007 [1,0,0,0,0,1|2,0,0]=4 382 B15R1.8019 CC(=O)OCCC(=O)c1ccccc1O 1458a_100015234032_100009814007 [1,0,0,0,0,1|2,0,0]=4 383 B15R1.8019 CC(=O)OCCC(=O)c1ccccc1[O-] 1458a_100009911694_100009814007 [1,0,0,0,0,1|2,0,0]=4 384 B15R1.8019 Cc1ccccc1C(=O)CCCC(=O)N 1458a_100000212026_100102525003 [1,0,0,0,0,1|2,0,0]=4 385 B15R1.8019 Cc1ccccc1C(=O)CCNC(=O)N 1458a_100000212026_200000034859 [1,0,0,0,0,1|2,0,0]=4 386 B15R1.8019 Cc1ccccc1C(=O)CCOC(=O)N 1458a_100000212026_200011214921 [1,0,0,0,0,1|2,0,0]=4 387 B15R1.8019 Cc1ccccc1C(=O)CNCC(=O)N 2230a_100000711301_100000741374 [1,0,0,0,0,1|2,0,0]=4 388 B15R1.8019 Cc1ccccc1C(=O)CNCC(=O)O 269956a_100016091260_100000741374 [1,0,0,0,0,1|1,0,0]=3 389 B15R1.8019 Cc1ccccc1C(=O)CSCC(=O)N 62a_100000741374_100000747473 [1,0,0,0,0,1|2,0,0]=4 390 B15R1.8019 Cc1ccccc1C(=O)CSCC(=O)N 62a_100000747473_100000741374 [1,0,0,0,0,1|2,0,0]=4 391 B15R1.8019 Cc1ccccc1C(=O)CSCC(=O)[O-] 62a_100000741374_100020667443 [1,0,0,0,0,1|1,0,1]=4 392 B15R1.8019 Cc1ccccc1C(=O)CSCC(=O)[O-] 62a_100020667443_100000741374 [1,0,0,0,0,1|1,0,1]=4 393 B15R1.8019 Cc1ccccc1C(=O)NCCC(=O)N 11a_100000740010_100000212026 [1,0,0,0,0,1|2,0,0]=4 394 B15R1.8019 Cc1ccccc1C(=O)NCCC(=O)N 240690a_100000740010_100000212026 [1,0,0,0,0,1|2,0,0]=4 395 B15R1.8019 Cc1ccccc1C(=O)NCCC(=O)N 527a_100000740010_100000212026 [1,0,0,0,0,1|2,0,0]=4 396 B15R1.8019 Cc1ccccc1C(=O)NCCC(=O)[13CH3] 1458a_100000195313_200025704644 [1,0,0,0,0,1|2,0,0]=4 397 B15R1.8019 NC(=O)CCCC(=O)c1ccccc1Br 1458a_100000188424_100102525003 [1,0,0,0,0,1|2,0,0]=4 398 B15R1.8019 NC(=O)CCCC(=O)c1ccccc1Cl 1458a_100000185844_100102525003 [1,0,0,0,0,1|2,0,0]=4 399 B15R1.8019 NC(=O)CCCC(=O)c1ccccc1F 1458a_100000188656_100102525003 [1,0,0,0,0,1|2,0,0]=4 400 B15R1.8019 NC(=O)CCCC(=O)c1ccccc1I 1458a_100000187884_100102525003 [1,0,0,0,0,1|2,0,0]=4 401 B15R1.8019 NC(=O)CCCC(=O)c1ccccc1O 1458a_100015234032_100102525003 [1,0,0,0,0,1|2,0,0]=4 402 B15R1.8019 NC(=O)CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100102525003 [1,0,0,0,0,1|2,0,0]=4 403 B15R1.8019 NC(=O)CCNC(=O)c1ccccc1Br 11a_100000740010_100000188424 [1,0,0,0,0,1|2,0,0]=4 404 B15R1.8019 NC(=O)CCNC(=O)c1ccccc1Br 240690a_100000740010_100000188424 [1,0,0,0,0,1|2,0,0]=4 405 B15R1.8019 NC(=O)CCNC(=O)c1ccccc1Br 527a_100000740010_100000188424 [1,0,0,0,0,1|2,0,0]=4 406 B15R1.8019 NC(=O)CCNC(=O)c1ccccc1Cl 11a_100000740010_100000185844 [1,0,0,0,0,1|2,0,0]=4 407 B15R1.8019 NC(=O)CCNC(=O)c1ccccc1Cl 240690a_100000740010_100000185844 [1,0,0,0,0,1|2,0,0]=4 408 B15R1.8019 NC(=O)CCNC(=O)c1ccccc1Cl 527a_100000740010_100000185844 [1,0,0,0,0,1|2,0,0]=4 409 B15R1.8019 NC(=O)CCNC(=O)c1ccccc1F 11a_100000740010_100000188656 [1,0,0,0,0,1|2,0,0]=4 410 B15R1.8019 NC(=O)CCNC(=O)c1ccccc1F 240690a_100000740010_100000188656 [1,0,0,0,0,1|2,0,0]=4 411 B15R1.8019 NC(=O)CCNC(=O)c1ccccc1F 527a_100000740010_100000188656 [1,0,0,0,0,1|2,0,0]=4 412 B15R1.8019 NC(=O)CCNC(=O)c1ccccc1I 11a_100000740010_100000187884 [1,0,0,0,0,1|2,0,0]=4 413 B15R1.8019 NC(=O)CCNC(=O)c1ccccc1I 240690a_100000740010_100000187884 [1,0,0,0,0,1|2,0,0]=4 414 B15R1.8019 NC(=O)CCNC(=O)c1ccccc1I 527a_100000740010_100000187884 [1,0,0,0,0,1|2,0,0]=4 415 B15R1.8019 NC(=O)CCNC(=O)c1ccccc1O 240690a_100000740010_100015234032 [1,0,0,0,0,1|2,0,0]=4 416 B15R1.8019 NC(=O)CCNC(=O)c1ccccc1[O-] 240690a_100000740010_100009911694 [1,0,0,0,0,1|2,0,0]=4 417 B15R1.8019 NC(=O)CCNC(=O)c1ccccc1[O-] 527a_100000740010_100009911694 [1,0,0,0,0,1|2,0,0]=4 418 B15R1.8019 NC(=O)CSCC(=O)c1ccccc1Br 62a_100000199116_100000747473 [1,0,0,0,0,1|2,0,0]=4 419 B15R1.8019 NC(=O)CSCC(=O)c1ccccc1Cl 62a_100000211432_100000747473 [1,0,0,0,0,1|2,0,0]=4 420 B15R1.8019 NC(=O)CSCC(=O)c1ccccc1Cl 62a_100000747473_100000211432 [1,0,0,0,0,1|2,0,0]=4 421 B15R1.8019 NC(=O)CSCC(=O)c1ccccc1F 62a_100000204681_100000747473 [1,0,0,0,0,1|2,0,0]=4 422 B15R1.8019 NC(=O)CSCC(=O)c1ccccc1F 62a_100000747473_100000204681 [1,0,0,0,0,1|2,0,0]=4 423 B15R1.8019 NC(=O)CSCC(=O)c1ccccc1O 62a_100000188908_100000747473 [1,0,0,0,0,1|2,0,0]=4 424 B15R1.8019 NC(=O)CSCC(=O)c1ccccc1O 62a_100000747473_100000188908 [1,0,0,0,0,1|2,0,0]=4 425 B15R1.8019 NC(=O)NCCC(=O)c1ccccc1Br 1458a_100000188424_200000034859 [1,0,0,0,0,1|2,0,0]=4 426 B15R1.8019 NC(=O)NCCC(=O)c1ccccc1Cl 1458a_100000185844_200000034859 [1,0,0,0,0,1|2,0,0]=4 427 B15R1.8019 NC(=O)NCCC(=O)c1ccccc1F 1458a_100000188656_200000034859 [1,0,0,0,0,1|2,0,0]=4 428 B15R1.8019 NC(=O)NCCC(=O)c1ccccc1I 1458a_100000187884_200000034859 [1,0,0,0,0,1|2,0,0]=4 429 B15R1.8019 NC(=O)NCCC(=O)c1ccccc1O 1458a_100015234032_200000034859 [1,0,0,0,0,1|2,0,0]=4 430 B15R1.8019 NC(=O)NCCC(=O)c1ccccc1[O-] 1458a_100009911694_200000034859 [1,0,0,0,0,1|2,0,0]=4 431 B15R1.8019 NC(=O)OCCC(=O)c1ccccc1Br 1458a_100000188424_200011214921 [1,0,0,0,0,1|2,0,0]=4 432 B15R1.8019 NC(=O)OCCC(=O)c1ccccc1Cl 1458a_100000185844_200011214921 [1,0,0,0,0,1|2,0,0]=4 433 B15R1.8019 NC(=O)OCCC(=O)c1ccccc1F 1458a_100000188656_200011214921 [1,0,0,0,0,1|2,0,0]=4 434 B15R1.8019 NC(=O)OCCC(=O)c1ccccc1I 1458a_100000187884_200011214921 [1,0,0,0,0,1|2,0,0]=4 435 B15R1.8019 NC(=O)OCCC(=O)c1ccccc1O 1458a_100015234032_200011214921 [1,0,0,0,0,1|2,0,0]=4 436 B15R1.8019 NC(=O)OCCC(=O)c1ccccc1[O-] 1458a_100009911694_200011214921 [1,0,0,0,0,1|2,0,0]=4 437 B15R1.8019 O=C(O)CNCC(=O)c1ccccc1Br 269956a_100016091260_100000199116 [1,0,0,0,0,1|1,0,0]=3 438 B15R1.8019 O=C(O)CNCC(=O)c1ccccc1Cl 269956a_100016091260_100000211432 [1,0,0,0,0,1|1,0,0]=3 439 B15R1.8019 O=C(O)CNCC(=O)c1ccccc1F 269956a_100016091260_100000204681 [1,0,0,0,0,1|1,0,0]=3 440 B15R1.8019 O=C(O)CNCC(=O)c1ccccc1O 269956a_100016091260_100000188908 [1,0,0,0,0,1|1,0,0]=3 441 B15R1.8019 O=C([O-])CSCC(=O)c1ccccc1Br 62a_100000199116_100020667443 [1,0,0,0,0,1|1,0,1]=4 442 B15R1.8019 O=C([O-])CSCC(=O)c1ccccc1Cl 62a_100000211432_100020667443 [1,0,0,0,0,1|1,0,1]=4 443 B15R1.8019 O=C([O-])CSCC(=O)c1ccccc1Cl 62a_100020667443_100000211432 [1,0,0,0,0,1|1,0,1]=4 444 B15R1.8019 O=C([O-])CSCC(=O)c1ccccc1F 62a_100000204681_100020667443 [1,0,0,0,0,1|1,0,1]=4 445 B15R1.8019 O=C([O-])CSCC(=O)c1ccccc1F 62a_100020667443_100000204681 [1,0,0,0,0,1|1,0,1]=4 446 B15R1.8019 O=C([O-])CSCC(=O)c1ccccc1O 62a_100000188908_100020667443 [1,0,0,0,0,1|1,0,1]=4 447 B15R1.8019 O=C([O-])CSCC(=O)c1ccccc1O 62a_100020667443_100000188908 [1,0,0,0,0,1|1,0,1]=4 448 B15R1.8019 [13CH3]C(=O)CCNC(=O)c1ccccc1Cl 1458a_100000182440_200025704644 [1,0,0,0,0,1|2,0,0]=4 449 B15R1.500 CC(=O)C(C)SCC(=O)c1ccccc1 62a_100000211460_100009814033 [1,0,0,0,0,1|2,0,0]=4 450 B15R1.500 CC(=O)C(C)SCC(=O)c1ccccc1 62a_100009814033_100000211460 [1,0,0,0,0,1|2,0,0]=4 451 B15R1.500 CC(=O)[C@H](C)CSC(=O)c1ccccc1 1458a_100016998329_200000210301 [1,0,0,0,0,1|2,0,0]=4 452 B15R1.500 CC(SCC(=O)c1ccccc1)C(=O)N 62a_100000211460_100000702099 [1,0,0,0,0,1|2,0,0]=4 453 B15R1.500 CC(SCC(=O)c1ccccc1)C(=O)N 62a_100000702099_100000211460 [1,0,0,0,0,1|2,0,0]=4 454 B15R1.500 C[C@@H](OCC(=O)c1ccccc1)C(=O)N 7a_100000731257_100000211460 [1,0,0,0,0,1|2,0,0]=4 455 B15R1.500 C[C@H](CSC(=O)c1ccccc1)C(=O)[13CH3] 1458a_100016998329_200025704644 [1,0,0,0,0,1|2,0,0]=4 456 B15R1.500 C[C@H](NCC(=O)c1ccccc1)C(=O)O 269956a_100000743915_100000211460 [1,0,0,0,0,1|1,0,0]=3 457 B15R1.500 C[C@H](NCC(=O)c1ccccn1)C(=O)O 269956a_100000743915_100000027445 [1,0,0,0,0,1|2,0,0]=4 458 B15R1.500 C[C@H](NCC(=O)c1cccnc1)C(=O)O 269956a_100000743915_100000757877 [1,0,0,0,0,1|2,0,0]=4 459 B15R1.500 C[C@H](NCC(=O)c1ccncc1)C(=O)O 269956a_100000743915_100000027454 [1,0,0,0,0,1|2,0,0]=4 460 B15R1.500 C[C@H](NCS(=O)c1ccccc1)C(=O)O 269956a_100000743915_100000031784 [1,0,0,0,0,1|2,0,0]=4 461 B15R1.500 C[C@H](OCC(=O)c1ccccc1)C(=O)[O-] 7a_217856618621_100000211460 [1,0,0,0,0,1|1,0,1]=4 462 B15R1.500 NC(=O)C(F)SCC(=O)c1ccccc1 62a_100000211460_100009813875 [1,0,0,0,0,1|2,0,0]=4 463 B15R1.500 NC(=O)C(F)SCC(=O)c1ccccc1 62a_100009813875_100000211460 [1,0,0,0,0,1|2,0,0]=4 464 B15R1.500 O=C(CSC(F)C(=O)[O-])c1ccccc1 62a_100000211460_100020610796 [1,0,0,0,0,1|1,0,1]=4 465 B15R1.500 O=C(CSC(F)C(=O)[O-])c1ccccc1 62a_100020610796_100000211460 [1,0,0,0,0,1|1,0,1]=4 466 B15R1.1076 CN(CC(=O)O)CC(=O)c1ccccc1 269956a_100000746989_100000211460 [1,0,0,0,0,1|2,0,0]=4 467 B17R1.9018 C[C@H](NCC(=O)Cc1ccccc1Br)C(=O)O 269956a_100000743915_100000700504 [0,0,0,0,0,2|2,0,0]=4 468 B17R1.9018 C[C@H](NCC(=O)Nc1ccccc1Br)C(=O)O 269956a_100000743915_100000182372 [0,0,0,0,0,2|2,0,0]=4 469 B17R1.9018 C[C@H](NCC(=O)Nc1ccccc1Cl)C(=O)O 269956a_100000743915_100000182448 [0,0,0,0,0,2|2,0,0]=4 470 B17R1.9018 C[C@H](NCC(=O)Nc1ccccc1F)C(=O)O 269956a_100000743915_100000182988 [0,0,0,0,0,2|2,0,0]=4 471 B17R1.9018 C[C@H](NCC(=O)Nc1ccccc1I)C(=O)O 269956a_100000743915_100000180142 [0,0,0,0,0,2|2,0,0]=4 472 B17R1.9018 C[C@H](NCC(=O)Nc1ccccc1O)C(=O)O 269956a_100000743915_100000014494 [0,0,0,0,0,2|2,0,0]=4 473 B17R1.9018 Cc1ccccc1CC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011223134 [0,0,0,0,0,2|2,0,0]=4 474 B17R1.9018 Cc1ccccc1NC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000183529 [0,0,0,0,0,2|2,0,0]=4 475 B17R1.8981 CC(CNCC(=O)c1ccccc1Br)C(=O)O 269956a_100000749485_100000199116 [0,0,0,0,0,2|2,0,0]=4 476 B17R1.8981 CC(CNCC(=O)c1ccccc1Cl)C(=O)O 269956a_100000749485_100000211432 [0,0,0,0,0,2|2,0,0]=4 477 B17R1.8981 CC(CNCC(=O)c1ccccc1F)C(=O)O 269956a_100000749485_100000204681 [0,0,0,0,0,2|2,0,0]=4 478 B17R1.8981 CC(CNCC(=O)c1ccccc1O)C(=O)O 269956a_100000749485_100000188908 [0,0,0,0,0,2|2,0,0]=4 479 B17R1.8981 C[C@H](NCCC(=O)c1ccccc1F)C(=O)O 269956a_100000743915_100000086012 [0,0,0,0,0,2|2,0,0]=4 480 B17R1.8981 C[C@H](NCCC(=O)c1ccccc1O)C(=O)O 269956a_100000743915_100009873196 [0,0,0,0,0,2|2,0,0]=4 481 B17R1.8981 Cc1ccccc1C(=O)CNCC(C)C(=O)O 269956a_100000749485_100000741374 [0,0,0,0,0,2|2,0,0]=4 482 B17R1.8981 Cc1ccccc1C(=O)CNCC(F)C(=O)O 269956a_100000084737_100000741374 [0,0,0,0,0,2|2,0,0]=4 483 B17R1.8981 Cc1ccccc1C(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000741374 [0,0,0,0,0,2|2,0,0]=4 484 B17R1.8981 NC(=O)[C@@H](N)COCC(=O)c1ccccc1Br 34a_100000729942_100000199116 [0,0,0,0,0,2|2,0,0]=4 485 B17R1.8981 NC(=O)[C@@H](N)COCC(=O)c1ccccc1Cl 34a_100000729942_100000211432 [0,0,0,0,0,2|2,0,0]=4 486 B17R1.8981 NC(=O)[C@@H](N)COCC(=O)c1ccccc1F 34a_100000729942_100000204681 [0,0,0,0,0,2|2,0,0]=4 487 B17R1.8981 O=C(CNCC(F)C(=O)O)c1ccccc1Br 269956a_100000084737_100000199116 [0,0,0,0,0,2|2,0,0]=4 488 B17R1.8981 O=C(CNCC(F)C(=O)O)c1ccccc1Cl 269956a_100000084737_100000211432 [0,0,0,0,0,2|2,0,0]=4 489 B17R1.8981 O=C(CNCC(F)C(=O)O)c1ccccc1F 269956a_100000084737_100000204681 [0,0,0,0,0,2|2,0,0]=4 490 B17R1.8981 O=C(CNCC(F)C(=O)O)c1ccccc1O 269956a_100000084737_100000188908 [0,0,0,0,0,2|2,0,0]=4