0 B14R1.686 CC(=O)C(O)Cc1ccc(c(c1)O)O 1458a_100020667051_200000210301 [1,0,0,0,0,0|3,0,0]=4 1 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 2 B14R1.4257 CC(=O)C(C)Nc1cc(cc(c1)I)I 7a_200000696836_100000179758 [1,0,0,0,0,0|3,0,0]=4 3 B14R1.4257 CC(Nc1cc(cc(c1)I)I)C(=O)N 7a_200000696836_100000702099 [1,0,0,0,0,0|3,0,0]=4 4 B14R1.4257 NC(=O)C(F)Nc1cc(cc(c1)I)I 7a_200000696836_100009813875 [1,0,0,0,0,0|3,0,0]=4 5 B14R1.15552 CC(=O)CCc1cc(c(c(c1)Br)O)Br 1458a_100009814134_200000210301 [1,0,0,0,0,0|1,2,0]=4 6 B14R1.15552 CC(=O)CCc1cc(c(c(c1)I)O)I 1458a_200000072802_200000210301 [1,0,0,0,0,0|1,0,0]=2 7 B14R1.15552 [13CH3]C(=O)CCc1cc(c(c(c1)Br)O)Br 1458a_100009814134_200025704644 [1,0,0,0,0,0|1,2,0]=4 8 B14R1.15552 [13CH3]C(=O)CCc1cc(c(c(c1)I)O)I 1458a_200000072802_200025704644 [1,0,0,0,0,0|1,0,0]=2 9 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 10 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 11 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 12 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 13 B16R1.52958 CC(=O)C(C)C(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_100000179758 [0,1,0,0,0,0|2,0,1]=4 14 B16R1.52958 CC(C(=O)N)C(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_100000702099 [0,1,0,0,0,0|2,0,1]=4 15 B16R1.52958 NC(=O)C(F)C(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_100009813875 [0,1,0,0,0,0|2,0,1]=4 16 B16R1.52958 O=C([O-])C(F)C(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_100020610796 [0,1,0,0,0,0|1,0,2]=4 17 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200000210301 [2,0,0,0,0,0|2,0,0]=4 18 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200025704644 [2,0,0,0,0,0|2,0,0]=4 19 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200000210301 [2,0,0,0,0,0|2,0,0]=4 20 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000070787_200010393615 [2,0,0,0,0,0|2,0,0]=4 21 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200025704644 [2,0,0,0,0,0|2,0,0]=4 22 B13R1.3420 NC(=O)CNc1cc(cc(c1)I)I 7a_200000696836_100000187820 [2,0,0,0,0,0|2,0,0]=4 23 B15R1.676 CNC(Cc1ccc(c(c1)Cl)F)C(=O)O 269956a_103549770568_200000210301 [1,1,0,0,0,0|1,1,0]=4 24 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 25 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 26 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 27 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 28 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 29 B15R1.650 CNC(Cc1cc(cc(c1)C)C)C(=O)O 269956a_200000752520_200000210301 [1,1,0,0,0,0|2,0,0]=4 30 B15R1.650 CNC(Cc1cc(cc(c1)F)F)C(=O)O 269956a_100011217460_200000210301 [1,1,0,0,0,0|0,2,0]=4 31 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 32 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 33 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 34 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 35 B15R1.5515 COC(=O)C(C)Nc1cc(cc(c1)I)I 7a_200000696836_100000211248 [1,1,0,0,0,0|2,0,0]=4 36 B15R1.2993 CCC(=O)CCc1cc(c(c(c1)I)O)I 1458a_200000072802_100000210202 [1,1,0,0,0,0|1,0,0]=3 37 B15R1.2993 CNC(=O)CCc1cc(c(c(c1)I)O)I 1626a_100102657272_200000072802 [1,1,0,0,0,0|1,0,0]=3 38 B15R1.2993 CNC(=O)CCc1cc(c(c(c1)I)O)I 240690a_100102657272_200000072802 [1,1,0,0,0,0|1,0,0]=3 39 B15R1.2993 CNC(=O)CCc1cc(c(c(c1)I)O)I 527a_100102657272_200000072802 [1,1,0,0,0,0|1,0,0]=3 40 B15R1.2993 O=C(CF)CCc1cc(c(c(c1)I)O)I 1458a_200000072802_100015361967 [1,1,0,0,0,0|1,0,0]=3 41 B15R1.28954 NC(=O)CC(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_100000187820 [1,1,0,0,0,0|1,0,1]=4 42 B15R1.28954 O=C([O-])CC(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_100020667443 [1,1,0,0,0,0|0,0,2]=4 43 B17R1.179756 COC(=O)C(C)C(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_100000211248 [0,2,0,0,0,0|1,0,1]=4 44 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 45 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 46 B15R1.884 C[C@H](NCc1ccc(c(c1)I)Br)C(=O)O 269956a_100000743915_100010146616 [1,0,0,0,0,1|2,0,0]=4 47 B15R1.884 C[C@H](NCc1ccc(c(c1)I)F)C(=O)O 269956a_100000743915_100010188208 [1,0,0,0,0,1|2,0,0]=4 48 B15R1.884 Cc1ccc(cc1I)CN[C@@H](C)C(=O)O 269956a_100000743915_100010206137 [1,0,0,0,0,1|2,0,0]=4 49 B15R1.5455 CC(=O)C(C)OCc1cc(cc(c1)I)I 7a_100010205817_100000179758 [1,0,0,0,0,1|2,0,0]=4 50 B15R1.5455 CC(OCc1cc(cc(c1)I)I)C(=O)N 7a_100010205817_100000702099 [1,0,0,0,0,1|2,0,0]=4 51 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 52 B15R1.5455 C[C@H](NCc1cc(cc(c1)I)F)C(=O)O 269956a_100000743915_100010149605 [1,0,0,0,0,1|1,1,0]=4 53 B15R1.5455 NC(=O)C(F)OCc1cc(cc(c1)I)I 7a_100010205817_100009813875 [1,0,0,0,0,1|2,0,0]=4