bmrbids.20200528.sql

PRAGMA foreign_keys=OFF;
BEGIN TRANSACTION;
CREATE TABLE ids (id text primary key, dirname text, inchi text);
INSERT INTO "ids" VALUES('bmse001118','CAS_2681-45-0_annot_goated','InChI=1S/C19H30O5S.Na/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18;/h12-16H,3-11H2,1-2H3,(H,21,22,23);/q;+1/p-1/t12-,13-,14+,15+,16+,18+,19+;/m1./s1');
INSERT INTO "ids" VALUES('bmse001119','CID_5497103_annot_goated','InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46');
INSERT INTO "ids" VALUES('bmse001120','CLA_methyl_ester_annot_goated','InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-10H');
INSERT INTO "ids" VALUES('bmse001121','cq_00363_annot_goated','InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6');
INSERT INTO "ids" VALUES('bmse001122','cq_00523_annot_goated','InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2');
INSERT INTO "ids" VALUES('bmse001123','cq_00923_annot_goated','InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/t18-,19+/m1/s1');
INSERT INTO "ids" VALUES('bmse001124','cq_00970_annot_goated','InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7');
INSERT INTO "ids" VALUES('bmse001125','cq_00982_annot_goated','InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5');
INSERT INTO "ids" VALUES('bmse001126','cq_01050_annot_goated','InChI=1S/C22H29N7O5.2ClH/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12;;/h4-7');
INSERT INTO "ids" VALUES('bmse001127','cq_01095_annot_goated','InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6');
INSERT INTO "ids" VALUES('bmse001128','cq_01107_goated','InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4');
INSERT INTO "ids" VALUES('bmse001129','cq_01128_annot_goated','InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5');
INSERT INTO "ids" VALUES('bmse001130','cq_01316_annot_goated','InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5');
INSERT INTO "ids" VALUES('bmse001131','cq_01326_annot_goated','InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37');
INSERT INTO "ids" VALUES('bmse001132','cq_01560_annot_goated','InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17');
INSERT INTO "ids" VALUES('bmse001133','cq_01651_annot_goated','InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5');
INSERT INTO "ids" VALUES('bmse001134','cq_01653_annot_goated','InChI=1S/C3H6N2O2/c4-2-5-1-3(6)7/h2H');
INSERT INTO "ids" VALUES('bmse001135','cq_01934_annot_goated','InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14');
INSERT INTO "ids" VALUES('bmse001136','cq_02130_annot_goated','InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9');
INSERT INTO "ids" VALUES('bmse001137','cq_02301_annot_goated','InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30');
INSERT INTO "ids" VALUES('bmse001138','cq_02338_annot_goated','InChI=1S/C10H18O/c1-5-10(4');
INSERT INTO "ids" VALUES('bmse001139','cq_02883_annot_goated','InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3');
INSERT INTO "ids" VALUES('bmse001140','cq_02958_annot_goated','InChI=1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9');
INSERT INTO "ids" VALUES('bmse001141','cq_02997_annot_goated','InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H');
INSERT INTO "ids" VALUES('bmse001142','cq_03096_annot_goated','InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3');
INSERT INTO "ids" VALUES('bmse001143','cq_03156_annot_goated','InChI=1S/C27H30O16.3H2O/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9;;;/h2-6');
INSERT INTO "ids" VALUES('bmse001144','cq_03617_annot_goated','InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3');
INSERT INTO "ids" VALUES('bmse001145','cq_03624_annot_goated','InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7');
INSERT INTO "ids" VALUES('bmse001146','cq_03626_annot_goated','InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4');
INSERT INTO "ids" VALUES('bmse001147','cq_03742_annot_goated','InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5');
INSERT INTO "ids" VALUES('bmse001148','cq_04299_annot_goated','InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H');
INSERT INTO "ids" VALUES('bmse001149','cq_04577_annot_goated','InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19');
INSERT INTO "ids" VALUES('bmse001150','cq_04825_annot_goated','InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H');
INSERT INTO "ids" VALUES('bmse001151','cq_05061_goated','InChI=1S/C2H6S2/c1-3-4-2/h1-2H3');
INSERT INTO "ids" VALUES('bmse001152','cq_05062_annot_goated','InChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3');
INSERT INTO "ids" VALUES('bmse001153','cq_05825_annot_goated','InChI=1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4');
INSERT INTO "ids" VALUES('bmse001101','cq_06365_bmrb_bmse001101_annot_goated','InChI=1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15');
INSERT INTO "ids" VALUES('bmse001154','cq_06510_annot_goated','InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7');
INSERT INTO "ids" VALUES('bmse001155','cq_06519_annot_goated','InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5');
INSERT INTO "ids" VALUES('bmse001156','cq_07108_annot_goated','InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12');
INSERT INTO "ids" VALUES('bmse001157','cq_07384_annot_goated','InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6');
INSERT INTO "ids" VALUES('bmse001158','cq_07878_annot_goated','InChI=1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H');
INSERT INTO "ids" VALUES('bmse001159','cq_07912_annot_goated','InChI=1S/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9');
INSERT INTO "ids" VALUES('bmse001160','cq_08416_annot_goated','InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H');
INSERT INTO "ids" VALUES('bmse001161','cq_09172_annot_goated','InChI=1S/C18H22I3N3O8/c1-5(26)22-12-9(19)8(10(20)14(11(12)21)24(3)6(2)27)17(30)23-13-16(29)15(28)7(4-25)32-18(13)31/h7,13,15-16,18,25,28-29,31H,4H2,1-3H3,(H,22,26)(H,23,30)/t7-,13-,15-,16-,18-/m1/s1');
INSERT INTO "ids" VALUES('bmse001162','cq_09527_annot_goated','InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H');
INSERT INTO "ids" VALUES('bmse001163','cq_09817_annot_goated','InChI=1S/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H');
INSERT INTO "ids" VALUES('bmse001164','cq_10670_annot_goated','InChI=1S/C18H22O4/c1-18-5-4-11-10-3-2-9(19)6-13(10)15(20)7-12(11)14(18)8-16(21)17(18)22/h2-3');
INSERT INTO "ids" VALUES('bmse001165','cq_10733_goated','InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20');
INSERT INTO "ids" VALUES('bmse001166','cq_11484_annot_goated','InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3');
INSERT INTO "ids" VALUES('bmse001167','cq_14026_annot_goated','InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6');
INSERT INTO "ids" VALUES('bmse001168','cq_14162_annot_goated','InChI=1S/C22H46NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26');
INSERT INTO "ids" VALUES('bmse001169','cq_16222_annot_goated','InChI=1S/C19H28O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14');
INSERT INTO "ids" VALUES('bmse001170','cq_16268_annot_goated','InChI=1S/C21H32O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13');
INSERT INTO "ids" VALUES('bmse001171','cq_16279_annot_goated','InChI=1S/C21H34O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14');
INSERT INTO "ids" VALUES('bmse001172','cq_16625_annot_goated','InChI=1S/C18H22O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h2-5');
INSERT INTO "ids" VALUES('bmse001102','cq_17330_bmrb_bmse001102_annot_goated','InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H');
INSERT INTO "ids" VALUES('bmse001173','cq_17353_annot_goated','InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8');
INSERT INTO "ids" VALUES('bmse001174','cq_17369_annot_goated','InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7');
INSERT INTO "ids" VALUES('bmse001114','cq_17421_bmrb_bmse001114_annot_goated','InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7');
INSERT INTO "ids" VALUES('bmse001110','cq_17507_bmrb_bmse001110_annot_goated','InChI=1S/C26H43NO5.Na/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18');
INSERT INTO "ids" VALUES('bmse001175','cq_17682_annot_goated','InChI=1S/C21H40N8O6/c1-12(30)16(23)18(32)27-13(6-2-3-9-22)19(33)29-11-5-8-15(29)17(31)28-14(20(34)35)7-4-10-26-21(24)25/h12-16');
INSERT INTO "ids" VALUES('bmse001111','cq_18006_bmrb_bmse001111_annort_goated','InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14');
INSERT INTO "ids" VALUES('bmse001107','cq_18525_bmrb_bmse001107_annot_goated','InChI=1S/C43H79O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51');
INSERT INTO "ids" VALUES('bmse001176','cq_18823_annot_goated','InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5');
INSERT INTO "ids" VALUES('bmse001112','cq_18892_bmrb_bmse001112_annot_goated','InChI=1S/C18H32O16/c19-1-6-9(23)12(26)13(27)16(31-6)34-18(15(29)11(25)8(3-21)33-18)5-30-17(4-22)14(28)10(24)7(2-20)32-17/h6-16');
INSERT INTO "ids" VALUES('bmse001177','cq_18971_annot_goated','InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8');
INSERT INTO "ids" VALUES('bmse001108','cq_19234_bmrb_bmse001108_annot_goated','InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H');
INSERT INTO "ids" VALUES('bmse001113','cq_20061_bmrb_bmse001113_annot_goated','InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3');
INSERT INTO "ids" VALUES('bmse001104','cq_pentyl_benzoate_bmrb_bmse001104_13C_annotated_goated','InChI=1S/C12H16O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h4-6');
INSERT INTO "ids" VALUES('bmse001109','cq_sphingomyelin_MMCD_mixed_annot_goated','InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44');
INSERT INTO "ids" VALUES('bmse001115','pubchem_ID_124161_bmrb_bmse001115_annot_goated','InChI=1S/C20H40NO8P/c1-6-8-10-12-19(22)26-16-18(29-20(23)13-11-9-7-2)17-28-30(24');
INSERT INTO "ids" VALUES('bmse001105','tetraoleylcardiolipin_annot_goated','InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87');
INSERT INTO "ids" VALUES('bmse001100','cq_18997_annot_goated','InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H');
INSERT INTO "ids" VALUES('bmse001117','CAS 186800-61-3_MMCD_mixed_annot_goated','InChI=1S/C41H78NO11P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-40(46)50-35-37(36-52-54(48,49)51-34-33-42-38(43)31-32-39(44)45)53-41(47)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h37H,3-36H2,1-2H3,(H,42,43)(H,44,45)(H,48,49);/q;+1/p-1/t37-;/m1./s1');
INSERT INTO "ids" VALUES('bmse001103','cq_19343_annot_goated','InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8');
INSERT INTO "ids" VALUES('bmse001106','cq_TPP_Zn_annot_goated','InChI=1S/C44H28N4.Zn/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28H;/q-2;+2/b41-33-');
INSERT INTO "ids" VALUES('bmse001116','Avanti_870285_MMCD_mixed_annot_goated','InChI=1S/C47H88N3O10PS.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-44(52)57-37-40(60-45(53)34-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-59-61(55');
INSERT INTO "ids" VALUES('bmse001178','cq_00159_annot_goated','InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-');
INSERT INTO "ids" VALUES('bmse001179','cq_00348_annot_goated','InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1');
INSERT INTO "ids" VALUES('bmse001180','cq_01519_annot_goated','InChI=1S/C10H18O.H2O/c1-7(2)10-5-4-9(3');
INSERT INTO "ids" VALUES('bmse001181','cq_04332_annot_goated','InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H');
INSERT INTO "ids" VALUES('bmse001182','cq_04997_annot_goated','InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7');
INSERT INTO "ids" VALUES('bmse001183','cq_05847_annot_goated','InChI=1S/C17H22O3/c1-16-8-3-9-17(2');
INSERT INTO "ids" VALUES('bmse001184','cq_05857_annot_goated','InChI=1S/C32H32O14/c1-10-8-9-15-18-16(10)29(38)45-26-17-13(23(35)20(19(18)26)30(39)43-15)6-5-7-14(17)44-32-28(24(36)21(33)11(2)42-32)46-31-25(37)27(40-4)22(34)12(3)41-31/h5-9');
INSERT INTO "ids" VALUES('bmse001185','cq_06514_annot_goated','InChI=1S/C10H18O/c1-9(2)8-4-6-10(3');
INSERT INTO "ids" VALUES('bmse001186','cq_06544_annot_goated','InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6');
INSERT INTO "ids" VALUES('bmse001187','cq_07055_annot_goated','InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5');
INSERT INTO "ids" VALUES('bmse001188','cq_07295_goated','InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4');
INSERT INTO "ids" VALUES('bmse001189','cq_07316_annot_goated','InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4');
INSERT INTO "ids" VALUES('bmse001190','cq_07453_annot_goated','InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2');
INSERT INTO "ids" VALUES('bmse001191','cq_07777_annot_goated','InChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H');
INSERT INTO "ids" VALUES('bmse001192','cq_08626_annot_goated','InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6');
INSERT INTO "ids" VALUES('bmse001193','cq_09129_annot_goated','InChI=1S/C20H18NO4.ClH/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;/h3-4');
INSERT INTO "ids" VALUES('bmse001194','cq_09240_annot_goated','InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5');
INSERT INTO "ids" VALUES('bmse001195','cq_11183_annot_goated','InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4');
INSERT INTO "ids" VALUES('bmse001196','cq_14028_annot_goated','InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1');
INSERT INTO "ids" VALUES('bmse001197','cq_14375_annot_goated','InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4');
INSERT INTO "ids" VALUES('bmse001198','cq_Acnph_annot_goated','InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H');
INSERT INTO "ids" VALUES('bmse001199','cq_BZC_annot_goated','InChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2');
INSERT INTO "ids" VALUES('bmse001200','cq_EGTA_annot_goated','InChI=1S/C14H24N2O10/c17-11(18)7-15(8-12(19)20)1-3-25-5-6-26-4-2-16(9-13(21)22)10-14(23)24/h1-10H2');
INSERT INTO "ids" VALUES('bmse001201','cq_HA_quinone_annot_goated','InChI=1S/C14H8O3/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7');
INSERT INTO "ids" VALUES('bmse001202','cq_L_carvone_annot_goated','InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4');
INSERT INTO "ids" VALUES('bmse001203','cq_furaneol_annot_goated','InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3');
INSERT INTO "ids" VALUES('bmse000101','bmse000101_annot_goated','InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H');
INSERT INTO "ids" VALUES('bmse000103','bmse000103_annot_goated','InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-');
INSERT INTO "ids" VALUES('bmse000188','bmse000188_annot_goated','InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31');
INSERT INTO "ids" VALUES('bmse000198','bmse000198_annot_goated','InChI=1S/C6H13O10P/c7-2(1-16-17(13');
INSERT INTO "ids" VALUES('bmse000247','bmse000247_goated','InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6');
INSERT INTO "ids" VALUES('bmse000881','bmse000881_annot_goated','InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H');
INSERT INTO "ids" VALUES('bmse000986','bmse000986_annot_goated','InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4');
INSERT INTO "ids" VALUES('bmse001009','bmse000987 = bmse001009 _cq_04114_annot_goated','InChI=1S/C21H29FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27');
INSERT INTO "ids" VALUES('bmse000990','bmse000990=000957_annot_goated','InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4');
INSERT INTO "ids" VALUES('bmse001029','bmse001029_cq_03823_annot_goated','InChI=1S/C7H5ClO/c8-7-3-1-6(5-9)2-4-7/h1-5H');
INSERT INTO "ids" VALUES('bmse001030','bmse001030_annot_goated','InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H');
INSERT INTO "ids" VALUES('bmse001204','Aldrich_S283924_CID260719_annot_goated','InChI=1S/C9H12O2/c1-9(8(10)11)5-6-2-3-7(9)4-6/h2-3,6-7H,4-5H2,1H3,(H,10,11)/t6-,7+,9+/m0/s1');
INSERT INTO "ids" VALUES('bmse001205','cq_01158_annot_goated','InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1');
INSERT INTO "ids" VALUES('bmse001206','cq_01165_annot_goated','InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2');
INSERT INTO "ids" VALUES('bmse001207','cq_01505_annot_goated','InChI=1S/C6H6N2O/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)');
INSERT INTO "ids" VALUES('bmse001208','cq_03418_annot_goated','InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3');
INSERT INTO "ids" VALUES('bmse001209','cq_04145_annot_goated','InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/t11-/m0/s1');
INSERT INTO "ids" VALUES('bmse001210','cq_04155_annot_goated','InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3');
INSERT INTO "ids" VALUES('bmse001211','cq_08355_annot_goated','InChI=1S/C11H15Cl2NO/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8/h3-5,7,11,14-15H,6H2,1-2H3/t11-/m0/s1');
INSERT INTO "ids" VALUES('bmse001212','Aldr_860468_CID112084_annot_goated','InChI=1S/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-5-3-2-4-8(9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12-,13-,14+/m1/s1');
INSERT INTO "ids" VALUES('bmse001213','CID13994131_NSC_401005_annot_goated','InChI=1S/C21H22O5/c1-9-8-25-19-16-14(23)5-4-13(22)15(16)18-17-11(20(24)26-18)2-3-12-10(9)6-7-21(12,17)19/h4-5,9-12,17-19H,2-3,6-8H2,1H3/t9-,10-,11-,12+,17-,18-,19-,21-/m0/s1');
INSERT INTO "ids" VALUES('bmse001214','CID2866_NSC_407306_annot_goated','InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1');
INSERT INTO "ids" VALUES('bmse001215','CID338659_NSC_361902_annot_goated','InChI=1S/C15H20O4/c1-8-6-11-10(9(2)13(17)19-11)7-14(3)12(16)4-5-15(8,14)18/h8,10-11,18H,2,4-7H2,1,3H3/t8-,10+,11+,14-,15+/m1/s1');
INSERT INTO "ids" VALUES('bmse001216','CID5281707_NSC22842_annot_goated','InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H');
INSERT INTO "ids" VALUES('bmse001217','CID54676871_NSC325014_annot_goated','InChI=1S/C14H20Cl2N2O6/c1-4(17)11(22)18-10-8-7(5(19)3-6(20)9(8)21)12(23)24-14(10,2)13(15)16/h4,6,8-10,13,19-21H,3,17H2,1-2H3,(H,18,22)/t4-,6+,8-,9-,10+,14-/m0/s1');
INSERT INTO "ids" VALUES('bmse001218','CID54683839_NSC307981_annot_goated','InChI=1S/C26H26O6/c1-14(2)6-11-17-22-18(12-13-26(3,4)32-22)23(30-5)20-21(28)19(25(29)31-24(17)20)15-7-9-16(27)10-8-15/h6-10,12-13,27-28H,11H2,1-5H3');
INSERT INTO "ids" VALUES('bmse001219','CID5860420_NSC22070_annot_goated','InChI=1S/C17H22O5/c1-9-5-6-14-17(4,22-14)8-13-15(10(2)16(19)21-13)12(7-9)20-11(3)18/h7,12-15H,2,5-6,8H2,1,3-4H3/b9-7-/t12-,13-,14-,15-,17+/m1/s1');
INSERT INTO "ids" VALUES('bmse001220','CID72313_NSC15624_annot_goated','InChI=1S/C22H26N2O4/c1-12-17-10-24-7-6-15-14-5-4-13(26-2)8-19(14)23-21(15)20(24)9-16(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,16-17,20,23H,6-7,9-10H2,1-3H3/t12-,16-,17-,20-/m0/s1');
INSERT INTO "ids" VALUES('bmse001221','CID_10857465_annot_goated','InChI=1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3/t12-,13+,15-,16+/m0/s1');
INSERT INTO "ids" VALUES('bmse001222','CID_451988_NSC_614552_annot_goated','InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6-,7-,8-/m0/s1');
INSERT INTO "ids" VALUES('bmse001223','PC4701_annot_goated','InChI=1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)/t8-/m0/s1');
INSERT INTO "ids" VALUES('bmse001224','PC76581_annot_goated','InChI=1S/C9H13NO3/c1-6-9(12)8(5-13-2)7(4-11)3-10-6/h3,11-12H,4-5H2,1-2H3');
INSERT INTO "ids" VALUES('bmse001225','PC9301_annot_goated','InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3');
INSERT INTO "ids" VALUES('bmse001226','PC_6321405_annot_goated','InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m1/s1');
INSERT INTO "ids" VALUES('bmse001227','cid5369129_annot_goated','InChI=1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7+/t12-/m1/s1');
INSERT INTO "ids" VALUES('bmse001228','cq_00267_annot_goated','InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+');
INSERT INTO "ids" VALUES('bmse001229','cq_00527_annot_goated','InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7+');
INSERT INTO "ids" VALUES('bmse001230','cq_00549_annot_goated','InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1');
INSERT INTO "ids" VALUES('bmse001231','cq_00587_annot_goated','InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3');
INSERT INTO "ids" VALUES('bmse001232','cq_01197_NSC45923_annot_goated','InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3');
INSERT INTO "ids" VALUES('bmse001233','cq_01391_annot_goated','InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1');
INSERT INTO "ids" VALUES('bmse001234','cq_02000_NSC36351_annot_goated','InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1                ');
INSERT INTO "ids" VALUES('bmse001235','cq_02286_annot_goated','InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+');
INSERT INTO "ids" VALUES('bmse001236','cq_02838_annot_goated','InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25+');
INSERT INTO "ids" VALUES('bmse001237','cq_02851_annot_goated','InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)');
INSERT INTO "ids" VALUES('bmse001238','cq_03423_annot_goated','InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1');
INSERT INTO "ids" VALUES('bmse001239','cq_03497_annot_goated','InChI=1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3');
INSERT INTO "ids" VALUES('bmse001240','cq_03714_annot_goated','InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3');
INSERT INTO "ids" VALUES('bmse001241','cq_04000_annot_goated','InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+');
INSERT INTO "ids" VALUES('bmse001242','cq_04368_annot_goated','InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3');
INSERT INTO "ids" VALUES('bmse001243','cq_04554_annot_goated','InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1');
INSERT INTO "ids" VALUES('bmse001244','cq_04769_annot_goated','InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)');
INSERT INTO "ids" VALUES('bmse001245','cq_05163_annot_goated','InChI=1S/C7H4O6/c8-3-1-4(6(9)10)13-5(2-3)7(11)12/h1-2H,(H,9,10)(H,11,12)');
INSERT INTO "ids" VALUES('bmse001246','cq_05176_annot_goated','InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4-');
INSERT INTO "ids" VALUES('bmse001247','cq_05575_annot_goated','InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1');
INSERT INTO "ids" VALUES('bmse001248','cq_06039_annot_goated','InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1');
INSERT INTO "ids" VALUES('bmse001249','cq_06212_annot_goated','InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1');
INSERT INTO "ids" VALUES('bmse001250','cq_06223_NSC32979_annot_goated','InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1');
INSERT INTO "ids" VALUES('bmse001251','cq_06266_annot_goated','InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1');
INSERT INTO "ids" VALUES('bmse001252','cq_06302_annot_goated','InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1');
INSERT INTO "ids" VALUES('bmse001253','cq_06348_annot_goated','InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3');
INSERT INTO "ids" VALUES('bmse001254','cq_06376_annot_goated','InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+/t15-/m1/s1');
INSERT INTO "ids" VALUES('bmse001255','cq_06398_annot_goated','InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1');
INSERT INTO "ids" VALUES('bmse001256','cq_06562_annot_goated','InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1');
INSERT INTO "ids" VALUES('bmse001257','cq_06707_annot_goated','InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3');
INSERT INTO "ids" VALUES('bmse001258','cq_06973_annot_goated','InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14+,17-,19+,20-,21+/m1/s1');
INSERT INTO "ids" VALUES('bmse001259','cq_06983_annot_goated','InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3');
INSERT INTO "ids" VALUES('bmse001260','cq_07022_annot_goated','InChI=1S/C15H10O3/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7,16H,8H2');
INSERT INTO "ids" VALUES('bmse001261','cq_07104_annot_goated','InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1');
INSERT INTO "ids" VALUES('bmse001262','cq_07117_annot_goated','InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3');
INSERT INTO "ids" VALUES('bmse001263','cq_07119_annot_goated','InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3');
INSERT INTO "ids" VALUES('bmse001264','cq_07145_annot_goated','InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3');
INSERT INTO "ids" VALUES('bmse001265','cq_07155_annot_goated','InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2');
INSERT INTO "ids" VALUES('bmse001266','cq_07386_annot_loaded','InChI=1S/C30H28O8/c1-15-24(33)19(27(36)22(16(2)31)25(15)34)14-20-26(35)18-12-13-30(3,4)38-29(18)23(28(20)37)21(32)11-10-17-8-6-5-7-9-17/h5-13,33-37H,14H2,1-4H3/b11-10+');
INSERT INTO "ids" VALUES('bmse001267','cq_07497_annot_goated','InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2');
INSERT INTO "ids" VALUES('bmse001268','cq_08021_annot_goated','InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m1/s1');
INSERT INTO "ids" VALUES('bmse001269','cq_08829_annot_goated','InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+');
INSERT INTO "ids" VALUES('bmse001270','cq_09210_annot_goated','InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1');
INSERT INTO "ids" VALUES('bmse001271','cq_09470_annot_goated','InChI=1S/C18H26N2O4/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22)/t15-/m1/s1');
INSERT INTO "ids" VALUES('bmse001272','cq_14472_annot_goated','InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H');
INSERT INTO "ids" VALUES('bmse001273','cq_15455_annot_goated','InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1');
INSERT INTO "ids" VALUES('bmse001274','cq_16403_annot_goated','InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3');
INSERT INTO "ids" VALUES('bmse001275','cq_17436_annot_goated','InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24+/m1/s1');
INSERT INTO "ids" VALUES('bmse001276','cq_17611_annot_goated','InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H');
INSERT INTO "ids" VALUES('bmse001277','cq_CID51348985_work','InChI=1S/C15H8O5/c16-7-1-3-11-8(5-7)9-6-19-15(18)14-10(17)2-4-12(20-11)13(9)14/h1-6,16-17H');
INSERT INTO "ids" VALUES('bmse001278','CID10237_NSC_32192_annot_goated','InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1');
INSERT INTO "ids" VALUES('bmse001279','CID10272_NSC_22939_annot_goated','InChI=1S/C12H20N2O2/c1-5-9(4)11-7-13-10(6-8(2)3)12(15)14(11)16/h7-9,16H,5-6H2,1-4H3/t9-/m1/s1');
INSERT INTO "ids" VALUES('bmse001280','CID10790_NSC_7668_annot_goated','InChI=1S/C16H32O5/c17-13-9-5-4-7-11-15(19)14(18)10-6-2-1-3-8-12-16(20)21/h14-15,17-19H,1-13H2,(H,20,21)/t14-,15-/m1/s1');
INSERT INTO "ids" VALUES('bmse001281','CID13500_NSC_5366_annot_goated','InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m0/s1');
INSERT INTO "ids" VALUES('bmse001282','CID327277_NSC_301683_annot_goated','InChI=1S/C13H10O6/c1-7(14)17-10-5-3-9-4-6-11(16)19-12(9)13(10)18-8(2)15/h3-6H,1-2H3');
INSERT INTO "ids" VALUES('bmse001283','CID442291_NSC_129536_annot_goated','InChI=1S/C15H18O7/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9/h5-9,18-19H,4H2,1-3H3/t5-,6+,7-,8-,9-,13-,14-,15+/m1/s1');
INSERT INTO "ids" VALUES('bmse001284','CID4871_NSC_5113_annot_goated','InChI=1S/C25H24O6/c1-13(2)5-7-15-21(28)20-22(29)17(14-6-8-18(26)19(27)11-14)12-30-24(20)16-9-10-25(3,4)31-23(15)16/h5-6,8-12,26-28H,7H2,1-4H3');
INSERT INTO "ids" VALUES('bmse001285','CID5381458_NSC_118343_annot_loaded','InChI=1S/C12H12O5/c1-3-4-7-5-8-9(12(15)17-7)11(14)10(13)6(2)16-8/h3-6,10,13H,1-2H3/b4-3+/t6-,10-/m0/s1');
INSERT INTO "ids" VALUES('bmse001286','CID5458747_NSC_332876_annot_goated','InChI=1S/C20H30O3/c1-14-16(21)12-17-18(2,3)8-5-9-19(17,4)20(14,22)10-6-15-7-11-23-13-15/h7,11,13-14,17,22H,5-6,8-10,12H2,1-4H3/t14-,17+,19+,20-/m1/s1');
INSERT INTO "ids" VALUES('bmse001287','CID94391_NSC_2952_annot_goated','InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1');
INSERT INTO "ids" VALUES('bmse001288','CID_197204_NSC_284437_annot_goated','InChI=1S/C15H20O3/c1-14(2)7-15-9-4-3-8(14)10(15)5-12(16)11(15)6-18-13(9)17/h8-11H,3-7H2,1-2H3/t8-,9+,10-,11+,15-/m1/s1');
INSERT INTO "ids" VALUES('bmse001289','CID_222778_NSC_9665_annot_goated','InChI=1S/C16H26O4/c1-10(2)5-6-12-15(3,20-12)14-13(18-4)11(17)7-8-16(14)9-19-16/h5,11-14,17H,6-9H2,1-4H3/t11-,12-,13-,14-,15+,16+/m1/s1');
INSERT INTO "ids" VALUES('bmse001290','CID_336327_NSC_350085_annot_goated','InChI=1S/C16H14O4/c1-18-10-3-5-11-13-8-19-14-6-9(17)2-4-12(14)16(13)20-15(11)7-10/h2-7,13,16-17H,8H2,1H3/t13-,16-/m0/s1');
INSERT INTO "ids" VALUES('bmse001291','CID_417662_NSC_176503_annot_goated','InChI=1S/C20H26O6/c1-9(2)8-14(22)25-18-15-11(4)19(24)26-17(15)16(23)10(3)12-6-7-13(21)20(12,18)5/h6-8,10-12,15-18,23H,1-5H3/t10-,11-,12+,15+,16-,17-,18-,20-/m1/s1');
INSERT INTO "ids" VALUES('bmse001292','CID_435751_NSC_375294_annot_goated','InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)11-9-17-13(16)10(11)5-6-12(14)15/h12H,4-9H2,1-3H3/t12-,15-/m1/s1');
INSERT INTO "ids" VALUES('bmse001293','CID_4740_NSC_637086_annot_goated','InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3');
INSERT INTO "ids" VALUES('bmse001294','CID_6473881_NSC_157035_annot_goated','InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13-,15+/m0/s1');
INSERT INTO "ids" VALUES('bmse001295','cq_01121_CID10394_annot_goated','InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)');
INSERT INTO "ids" VALUES('bmse001296','cq_05304_CID_72326_annot_goated','InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1');
INSERT INTO "ids" VALUES('bmse001297','cq_07011_CID_3220_annot_goated','InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3');
INSERT INTO "ids" VALUES('bmse001298','cq_19101_CID_5281708_annot_goated','InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H');
INSERT INTO "ids" VALUES('bmse001299','CID10499_NSC_85239_annot_goated','InChI=1S/C15H18O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h6-8,10,12,18H,2,4-5H2,1,3H3/t8-,10-,12+,14-,15-/m0/s1');
INSERT INTO "ids" VALUES('bmse001300','CID232430_NSC_29854_annot_goated','InChI=1S/C35H44N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h8-9,13-14,16,20,24,26,29,31,34,36H,7,10-12,15,17-18H2,1-6H3/t20-,24-,26+,29-,31-,34+/m0/s1');
INSERT INTO "ids" VALUES('bmse001301','CID233380_NSC_31867_annot_loaded','InChI=1S/C23H26O6/c1-3-5-7-8-14-10-15(24)13-20-22(14)28-19-12-16(25)11-17(18(26)9-6-4-2)21(19)23(27)29-20/h10-13,24-25H,3-9H2,1-2H3');
INSERT INTO "ids" VALUES('bmse001302','CID235240_NSC_36398_annot_goated','InChI=1S/C15H12O7/c16-8-2-1-6(3-9(8)17)15-14(21)13(20)7-4-10(18)11(19)5-12(7)22-15/h1-5,14-19,21H/t14-,15-/m0/s1');
INSERT INTO "ids" VALUES('bmse001303','CID251562_NSC_72116_annot_goated','InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17+,18-,19+/m0/s1');
INSERT INTO "ids" VALUES('bmse001304','CID3885_NSC_26326_annot_goated','InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3');
INSERT INTO "ids" VALUES('bmse001305','CID5351501_NSC_23969_annot_goated',' InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15-,16-,17-,18+,19-,20+,21-/m1/s1');
INSERT INTO "ids" VALUES('bmse001306','CID60823_cq_03969_annot_goated','InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1');
INSERT INTO "ids" VALUES('bmse001307','CID6303_cq_05120_annot_goated','InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1');
INSERT INTO "ids" VALUES('bmse001308','CID73395_NSC_31048_cq_06477_annot_goated','InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1');
INSERT INTO "ids" VALUES('bmse001309','CID73412_annot_goated','InChI=1S/C30H48O6/c1-16-9-10-30(25(35)36)12-11-28(5)18(22(30)17(16)2)7-8-21-26(3)13-20(33)24(34)27(4,15-31)23(26)19(32)14-29(21,28)6/h7,16-17,19-24,31-34H,8-15H2,1-6H3,(H,35,36)/t16-,17+,19-,20-,21-,22+,23-,24+,26-,27+,28-,29-,30+/m1/s1');
INSERT INTO "ids" VALUES('bmse001310','CID73677_NSC_87511_annot_goated','InChI=1S/C19H14O9/c1-6-4-9(25-3)8(5-20)15-10(6)17(22)27-14-7(2)13(21)11-12(16(14)26-15)19(24)28-18(11)23/h4-5,19,21,24H,1-3H3/t19-/m0/s1');
INSERT INTO "ids" VALUES('bmse001311','CID73486_NSC_114344_annot_goated','InChI=1S/C15H16O5/c1-4-7(2)14-8(3)9-5-11(16)12(15(18)19)13(17)10(9)6-20-14/h5-7,17H,4H2,1-3H3,(H,18,19)/t7-/m0/s1');
INSERT INTO "ids" VALUES('bmse001312','CID_10955174_annot_goated','InChI=1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m0/s1');
INSERT INTO "ids" VALUES('bmse001313','CID_169234_annot_goated','InChI=1S/C23H28O7/c1-24-17-7-6-13(8-18(17)25-2)21-15-11-30-22(16(15)12-29-21)14-9-19(26-3)23(28-5)20(10-14)27-4/h6-10,15-16,21-22H,11-12H2,1-5H3/t15-,16-,21+,22+/m0/s1');
INSERT INTO "ids" VALUES('bmse001314','CID_442424_cq_06451_annot_goated','InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1');
INSERT INTO "ids" VALUES('bmse001315','CID_5468522_annot_goated','InChI=1S/C18H24O/c1-5-18(4,13-6-7-15(2)3)14-12-16-8-10-17(19)11-9-16/h5,7-12,14,19H,1,6,13H2,2-4H3/b14-12+/t18-/m1/s1');
INSERT INTO "ids" VALUES('bmse001316','CID_641785_annot_goated','InChI=1S/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7+');
INSERT INTO "ids" VALUES('bmse001317','CID_73599_annot_goated','InChI=1S/C30H52O4/c1-25(2)12-9-13-30(8,34-25)18-10-15-28(6)23(18)19(31)16-21-27(5)14-11-22(33)26(3,4)24(27)20(32)17-29(21,28)7/h18-24,31-33H,9-17H2,1-8H3/t18-,19+,20+,21+,22-,23-,24-,27+,28+,29+,30+/m0/s1');
INSERT INTO "ids" VALUES('bmse001318','cq_04570_CID_31553_annot_goated','InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1');
INSERT INTO "ids" VALUES('bmse001319','cq_06061_CID73174_annot_goated','InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1');
INSERT INTO "ids" VALUES('bmse001320','cq_06714_CID_5281616_annot_goated','InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H');
INSERT INTO "ids" VALUES('bmse001321','cq_06955_CID_5281727_annot_goated','InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+');
INSERT INTO "ids" VALUES('bmse001322','cq_07063_CID_6683_annot_goated','InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H');
INSERT INTO "ids" VALUES('bmse001323','cq_07377_CID_11092_annot_goated','InChI=1S/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H3');
INSERT INTO "ids" VALUES('bmse001324','cq_13106_CID_24360_annot_goated','InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1');
INSERT INTO "ids" VALUES('bmse001325','cq_20060_CID_73659_annot_goated','InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1');
INSERT INTO "ids" VALUES('bmse001326','incoming','InChI=1S/C18H32O15/c1-5-9(24)12(27)14(29)17(30-5)33-16-13(28)11(26)8(4-21)31-18(16)32-15(7(23)3-20)10(25)6(22)2-19/h2,5-18,20-29H,3-4H2,1H3/t5-,6-,7+,8+,9+,10+,11-,12+,13-,14-,15+,16+,17-,18-/m0/s1');
INSERT INTO "ids" VALUES('bmse001327','incoming','InChI=1S/C26H45NO21/c1-6(32)27-11-21(47-25-18(39)15(36)12(33)7(2-28)44-25)13(34)8(3-29)43-24(11)48-22-14(35)9(4-30)45-26(19(22)40)46-20-10(5-31)42-23(41)17(38)16(20)37/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18-,19-,20-,21-,22+,23+,24+,25+,26+/m1/s1');
INSERT INTO "ids" VALUES('bmse001328','incoming','InChI=1S/C32H55NO25/c1-7-14(39)18(43)22(47)30(50-7)58-27-19(44)15(40)9(3-34)54-32(27)56-25-13(33-8(2)38)29(52-10(4-35)16(25)41)57-26-17(42)11(5-36)53-31(23(26)48)55-24-12(6-37)51-28(49)21(46)20(24)45/h7,9-32,34-37,39-49H,3-6H2,1-2H3,(H,33,38)/t7-,9+,10+,11+,12+,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-,23+,24+,25+,26-,27+,28-,29-,30-,31-,32-/m0/s1');
INSERT INTO "ids" VALUES('bmse001329','incoming','InChI=1S/C23H39NO19.Na/c1-7(29)24-13-8(30)2-23(22(38)39,42-19(13)15(35)10(32)4-26)43-20-16(36)12(6-28)40-21(17(20)37)41-18(11(33)5-27)14(34)9(31)3-25;/h3,8-21,26-28,30-37H,2,4-6H2,1H3,(H,24,29)(H,38,39);/q;+1/p-1/t8-,9-,10+,11+,12+,13+,14+,15+,16-,17+,18+,19+,20-,21-,23-;/m0./s1');
INSERT INTO "ids" VALUES('bmse001330','incoming','InChI=1S/C18H32O15/c1-4-7(21)9(23)12(26)17(29-4)33-15-8(22)5(2-19)31-18(13(15)27)32-14-6(3-20)30-16(28)11(25)10(14)24/h4-28H,2-3H2,1H3/t4-,5+,6+,7+,8-,9+,10+,11+,12-,13+,14+,15-,16-,17+,18-/m0/s1');
INSERT INTO "ids" VALUES('bmse001331','incoming','InChI=1S/C23H39NO19/c1-6(27)24-11-7(28)2-23(22(37)38,43-19(11)12(30)8(29)3-25)39-5-10-13(31)14(32)17(35)21(41-10)42-18-9(4-26)40-20(36)16(34)15(18)33/h7-21,25-26,28-36H,2-5H2,1H3,(H,24,27)(H,37,38)/t7-,8+,9+,10+,11+,12+,13-,14-,15+,16+,17+,18+,19+,20-,21-,23+/m0/s1');
INSERT INTO "ids" VALUES('bmse001332','incoming','InChI=1S/C26H45NO21/c1-6(32)27-11-14(35)20(46-25-18(39)15(36)12(33)7(2-28)43-25)10(5-31)45-24(11)48-22-13(34)8(3-29)44-26(19(22)40)47-21-9(4-30)42-23(41)17(38)16(21)37/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12+,13+,14-,15+,16-,17-,18-,19-,20-,21-,22+,23+,24+,25+,26+/m1/s1');
INSERT INTO "ids" VALUES('bmse001333','CID_164676_annot_goated','InChI=1S/C19H18O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,9H,4-5,8H2,1-3H3');
INSERT INTO "ids" VALUES('bmse001334','CID_23915_annot_goated','InChI=1S/C24H32O7/c1-13-9-14-10-16(26-3)20(28-5)22(30-7)18(14)19-15(12-24(13,2)25)11-17(27-4)21(29-6)23(19)31-8/h10-11,13,25H,9,12H2,1-8H3/t13-,24-/m1/s1');
INSERT INTO "ids" VALUES('bmse001335','CID_53232_annot_goated','InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1');
INSERT INTO "ids" VALUES('bmse001336','CID_68077_cq_06858_annot_goated','InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3');
INSERT INTO "ids" VALUES('bmse001337','CID_7076399_annot_goated','InChI=1S/C20H26O3/c1-19-8-6-15-14-7-9-20(22-10-11-23-20)12-13(14)2-3-16(15)17(19)4-5-18(19)21/h6,16-17H,2-5,7-12H2,1H3/t16-,17+,19+/m1/s1');
INSERT INTO "ids" VALUES('bmse001338','NSC_349438_CID_36284_annot_goated','InChI=1S/C9H12O3/c1-7(10)2-3-9(11)8-4-5-12-6-8/h4-7,10H,2-3H2,1H3/t7-/m1/s1');
INSERT INTO "ids" VALUES('bmse001339','NSC_45383_CID_5298_cq_01319_annot_loaded','InChI=1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34)');
INSERT INTO "ids" VALUES('bmse001340','NSC_71795_CID_3213_cq_05830_annot_goated','InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3');
INSERT INTO "ids" VALUES('bmse001341','NSC_757_CID_6167_cq_04553_annot_goated','InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1');
INSERT INTO "ids" VALUES('bmse001342','NSC_82151_CID_30323_cq_01221_annot_goated','InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1');
INSERT INTO "ids" VALUES('bmse001343','cq_09386_CID_444020_annot_goated','InChI=1S/C10H21NO7/c12-2-5(3-13)11-6-1-10(18,4-14)9(17)8(16)7(6)15/h5-9,11-18H,1-4H2/t6-,7-,8+,9-,10-/m0/s1');
COMMIT;