EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@H]([C@H]2F)OC(=O)C3=CC=CC=C3)O[P+](=O)[O-])COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C29H34FO18P/c1-13(31)39-11-19-22(21(30)24(29(45-19)48-49(37)38)46-27(36)18-9-7-6-8-10-18)47-28-26(43-17(5)35)25(42-16(4)34)23(41-15(3)33)20(44-28)12-40-14(2)32/h6-10,19-26,28-29H,11-12H2,1-5H3/t19-,20-,21+,22-,23+,24+,25+,26-,28+,29-/m1/s1
SMILES: CCOC(C)O[C@@H]1[C@@H](N(C1=O)C(=O)OC(C)(C)C)CC(C)C
InChI: InChI=1S/C16H29NO5/c1-8-20-11(4)21-13-12(9-10(2)3)17(14(13)18)15(19)22-16(5,6)7/h10-13H,8-9H2,1-7H3/t11?,12-,13+/m0/s1
SMILES: C1C[C@@H]([C@H](C1)P(C2=CC=CC=C2)C3=CC=CC=C3)[C@H]4CCC[C@@H]4P(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C34H36P2/c1-5-15-27(16-6-1)35(28-17-7-2-8-18-28)33-25-13-23-31(33)32-24-14-26-34(32)36(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-12,15-22,31-34H,13-14,23-26H2/t31-,32-,33+,34+/m1/s1
SMILES: CCCCCC1(O[C@H]2[C@H]3C[C@]4([C@@H]([C@H]2O1)ON([C@H]4C(=O)O3)CC5=CC(=CC=C5)C=CC(=O)N(C)C)C(=O)NCCC(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCCCC
InChI: InChI=1S/C44H66N4O11/c1-8-10-12-22-43(23-13-11-9-2)57-36-32-26-44(41(54)45-24-21-33(50)46-31(28-49)18-20-35(52)56-42(3,4)5)38(40(53)55-32)48(59-39(44)37(36)58-43)27-30-16-14-15-29(25-30)17-19-34(51)47(6)7/h14-17,19,25,31-32,36-39,49H,8-13,18,20-24,26-28H2,1-7H3,(H,45,54)(H,46,50)/t31-,32+,36-,37-,38-,39+,44-/m0/s1
SMILES: CN1[C@@H]2C[C@H]([C@H]1C/C(=C\C3=CC=CC=C3)/C2=O)CC4=CC=CC=C4
InChI: InChI=1S/C22H23NO/c1-23-20-15-19(13-17-10-6-3-7-11-17)22(24)21(23)14-18(20)12-16-8-4-2-5-9-16/h2-11,13,18,20-21H,12,14-15H2,1H3/b19-13+/t18-,20-,21-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@H]3[C@@H](C4=CC=CC=C4OC3=O)C5=C(S2)NC(=O)S5
InChI: InChI=1S/C20H15NO4S2/c1-24-11-8-6-10(7-9-11)16-15-14(17-18(26-16)21-20(23)27-17)12-4-2-3-5-13(12)25-19(15)22/h2-9,14-16H,1H3,(H,21,23)/t14-,15-,16+/m1/s1
SMILES: CCCCP(=C(C(=O)OCC=C)N1[C@@H]([C@H](C1=O)[C@@H](C)O)[C@@H](C)C(=O)[C@H]2CCCO2)(CCCC)CCCC
InChI: InChI=1S/C29H50NO6P/c1-7-11-18-37(19-12-8-2,20-13-9-3)28(29(34)36-16-10-4)30-25(24(22(6)31)27(30)33)21(5)26(32)23-15-14-17-35-23/h10,21-25,31H,4,7-9,11-20H2,1-3,5-6H3/t21-,22-,23-,24-,25-/m1/s1
SMILES: C[C@H](CCCO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C24H38O3/c1-15(5-4-12-25)18-6-7-19-22-20(9-11-24(18,19)3)23(2)10-8-17(26)13-16(23)14-21(22)27/h14-15,17-20,22,25-26H,4-13H2,1-3H3/t15-,17+,18-,19+,20+,22+,23+,24-/m1/s1
SMILES: COC1=C(C=C(C(=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)OC
InChI: InChI=1S/C14H20O8/c1-20-8-3-6(7(16)4-9(8)21-2)14-13(19)12(18)11(17)10(5-15)22-14/h3-4,10-19H,5H2,1-2H3/t10-,11-,12+,13-,14+/m1/s1
SMILES: CC1=CC(=C(C=C1)NC(=O)COC(=O)[C@@H](CSC)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C
InChI: InChI=1S/C22H28N2O5S/c1-13-8-9-17(14(2)10-13)23-19(25)11-29-22(28)18(12-30-3)24-20(26)15-6-4-5-7-16(15)21(24)27/h8-10,15-16,18H,4-7,11-12H2,1-3H3,(H,23,25)/t15-,16+,18-/m1/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H](C2(Cl)Cl)C(=O)NC3=CC=CC=C3
InChI: InChI=1S/C16H13Cl2NO/c17-16(18)13(11-7-3-1-4-8-11)14(16)15(20)19-12-9-5-2-6-10-12/h1-10,13-14H,(H,19,20)/t13-,14-/m0/s1
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)CC5=C([C@H]4C6=CC=CC=C6O)C(=O)C=C(C5=O)Br)(O)O
InChI: InChI=1S/C28H21BBrNO7/c30-20-12-22(33)25-19(26(20)34)11-18-15(23(25)16-6-1-2-7-21(16)32)8-9-17-24(18)28(36)31(27(17)35)14-5-3-4-13(10-14)29(37)38/h1-8,10,12,17-18,23-24,32,37-38H,9,11H2/t17-,18+,23+,24-/m0/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC5=C(C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)C)C=NN5C6=CC=C(C=C6)/C=C/I
InChI: InChI=1S/C31H37IN2O4/c1-18-12-24-23-9-6-21-13-25-20(16-33-34(25)22-7-4-19(5-8-22)10-11-32)14-29(21,2)28(23)26(36)15-30(24,3)31(18,38)27(37)17-35/h4-5,7-8,10-11,13,16,18,23-24,26,28,35-36,38H,6,9,12,14-15,17H2,1-3H3/b11-10+/t18-,23+,24+,26+,28-,29+,30+,31+/m1/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N\O)/C3=CSC(=N3)N)C(=O)O)/C=C\C4=CC(=NO4)C5=NC=CS5
InChI: InChI=1S/C20H15N7O6S3/c21-20-23-11(7-36-20)12(25-32)15(28)24-13-17(29)27-14(19(30)31)8(6-35-18(13)27)1-2-9-5-10(26-33-9)16-22-3-4-34-16/h1-5,7,13,18,32H,6H2,(H2,21,23)(H,24,28)(H,30,31)/b2-1-,25-12-/t13-,18-/m1/s1
SMILES: CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)N(C)CC(OC)OC)C(C)C)CCOCCOCCO
InChI: InChI=1S/C22H41NO8/c1-7-30-22-17(8-10-28-12-13-29-11-9-24)18(16(2)3)14-19(31-22)21(25)23(4)15-20(26-5)27-6/h14,16-18,20,22,24H,7-13,15H2,1-6H3/t17-,18-,22-/m1/s1
SMILES: CC(C)[C@H]1[C@H]2[C@@H]3CC[C@H]4[C@@]3([C@@H]([C@@H]1OC2=O)N(C4)C)C
InChI: InChI=1S/C16H25NO2/c1-8(2)11-12-10-6-5-9-7-17(4)14(16(9,10)3)13(11)19-15(12)18/h8-14H,5-7H2,1-4H3/t9-,10+,11+,12-,13-,14-,16+/m1/s1
SMILES: CCOC(=O)C1=NN(C(=C1C(=O)C2=NN([C@@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)C)C5=CC=C(C=C5)Cl)C)C6=CC=C(C=C6)C
InChI: InChI=1S/C33H28ClN5O5/c1-5-44-33(43)28-25(20(4)38(36-28)23-14-8-19(3)9-15-23)30(40)27-26-29(39(35-27)24-16-10-21(34)11-17-24)32(42)37(31(26)41)22-12-6-18(2)7-13-22/h6-17,26,29H,5H2,1-4H3/t26-,29+/m0/s1
SMILES: COC1=CC=CC(=C1)N2C[C@H](CC2=O)C(=O)OC3=CC=CC(=C3)N4C(=O)[C@H]5[C@@H]6C[C@H]([C@@H]5C4=O)C=C6
InChI: InChI=1S/C27H24N2O6/c1-34-20-6-2-4-18(12-20)28-14-17(11-22(28)30)27(33)35-21-7-3-5-19(13-21)29-25(31)23-15-8-9-16(10-15)24(23)26(29)32/h2-9,12-13,15-17,23-24H,10-11,14H2,1H3/t15-,16+,17-,23-,24-/m0/s1
SMILES: CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3CCC5=CC(=O)C=C[C@@]54C)F)O)C)C=NN2
InChI: InChI=1S/C24H29FN2O5/c1-13(28)32-12-20(31)24-15(11-26-27-24)9-18-17-5-4-14-8-16(29)6-7-21(14,2)23(17,25)19(30)10-22(18,24)3/h6-8,11,15,17-19,27,30H,4-5,9-10,12H2,1-3H3/t15-,17-,18-,19-,21-,22-,23-,24-/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C22H27NO7/c1-27-21-18(23-22(26)29-14-16-10-6-3-7-11-16)20(19(25)17(12-24)30-21)28-13-15-8-4-2-5-9-15/h2-11,17-21,24-25H,12-14H2,1H3,(H,23,26)/t17-,18-,19-,20-,21+/m1/s1
SMILES: CC(C)(C)C(=O)OC[C@@H]1[C@]([C@]2([C@H]([C@H]([C@@](O2)(COC(=O)C(C)(C)C)O)O)O)C(=O)O1)(COC(=O)C(C)(C)C)O
InChI: InChI=1S/C25H40O13/c1-20(2,3)16(28)34-10-13-23(32,11-35-17(29)21(4,5)6)25(19(31)37-13)15(27)14(26)24(33,38-25)12-36-18(30)22(7,8)9/h13-15,26-27,32-33H,10-12H2,1-9H3/t13-,14-,15+,23+,24+,25+/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN6CCN(CC6)C7=CC=CC=C7OC)O)C(=C5)C(=O)C8=CC9=CC=CC=C9S8)O)C
InChI: InChI=1S/C42H50N2O4S/c1-38-15-12-29(45)25-40(38)18-19-42(30(26-40)37(46)34-24-28-8-4-7-11-33(28)49-34)35(38)13-16-39(2)36(42)14-17-41(39,47)27-43-20-22-44(23-21-43)31-9-5-6-10-32(31)48-3/h4-11,18-19,24,26,29,35-36,45,47H,12-17,20-23,25,27H2,1-3H3/t29?,35-,36-,38-,39+,40+,41-,42-/m1/s1
SMILES: CSC(=S)O[C@@H]1COC(O[C@H]1[C@H]2[C@@H](COC(O2)C3=CC=CC=C3)OC(=S)SC)C4=CC=CC=C4
InChI: InChI=1S/C24H26O6S4/c1-33-23(31)27-17-13-25-21(15-9-5-3-6-10-15)29-19(17)20-18(28-24(32)34-2)14-26-22(30-20)16-11-7-4-8-12-16/h3-12,17-22H,13-14H2,1-2H3/t17-,18-,19-,20-,21?,22?/m1/s1
SMILES: COC1=C(C=C(C=C1)[C@H]2[C@@H]3C[C@H]([C@@]2(C(=O)O)NC(=O)C4=CC=CC=C4)C=C3)OC
InChI: InChI=1S/C23H23NO5/c1-28-18-11-9-16(13-19(18)29-2)20-15-8-10-17(12-15)23(20,22(26)27)24-21(25)14-6-4-3-5-7-14/h3-11,13,15,17,20H,12H2,1-2H3,(H,24,25)(H,26,27)/t15-,17+,20+,23+/m0/s1
SMILES: C1CCN2[C@H]3CCNC[C@H]3C4=CC(=CC(=C42)C1)C5=C(C=C(C=C5)C(F)(F)F)Cl
InChI: InChI=1S/C22H22ClF3N2/c23-19-11-15(22(24,25)26)4-5-16(19)14-9-13-3-1-2-8-28-20-6-7-27-12-18(20)17(10-14)21(13)28/h4-5,9-11,18,20,27H,1-3,6-8,12H2/t18-,20-/m0/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)F)C)F
InChI: InChI=1S/C24H30F2O6/c1-12-7-15-16-9-18(25)17-8-14(28)5-6-21(17,3)23(16,26)19(29)10-22(15,4)24(12,31)20(30)11-32-13(2)27/h5-6,8,12,15-16,18-19,29,31H,7,9-11H2,1-4H3/t12-,15+,16+,18+,19+,21+,22+,23+,24+/m1/s1
SMILES: C[C@@H]1[C@H]2CC[C@@]([C@@H]3[C@H]2[C@H]4[C@](CC/C=C(\C[C@@H]3O4)/C)(OC1=O)C)(C)OC(=O)C
InChI: InChI=1S/C22H32O5/c1-12-7-6-9-22(5)19-17-15(13(2)20(24)27-22)8-10-21(4,26-14(3)23)18(17)16(11-12)25-19/h7,13,15-19H,6,8-11H2,1-5H3/b12-7-/t13-,15-,16+,17+,18+,19+,21-,22+/m1/s1
SMILES: CCNC(=O)C1C2CC(/C=C/C=C/C=C/C=C\C=C/C=C/C=C/C(C(OC(=O)CC(CC(=O)CC(CC(CC(CC(CC(O2)(CC1O)O)O)O)O)O)O)C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)C)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)C)O)N)O
InChI: InChI=1S/C61H91N3O18/c1-6-64-59(77)54-51(73)36-61(78)35-48(71)31-46(69)29-44(67)27-43(66)28-45(68)30-47(70)33-53(74)81-58(38(3)21-26-42(65)32-50(72)40-22-24-41(63-5)25-23-40)37(2)19-17-15-13-11-9-7-8-10-12-14-16-18-20-49(34-52(54)82-61)80-60-57(76)55(62)56(75)39(4)79-60/h7-20,22-25,37-39,42-44,46-49,51-52,54-58,60,63,65-67,69-71,73,75-76,78H,6,21,26-36,62H2,1-5H3,(H,64,77)/b8-7-,11-9-,12-10+,15-13+,16-14+,19-17+,20-18+/t37?,38?,39-,42?,43?,44?,46?,47?,48?,49?,51?,52?,54?,55+,56-,57+,58?,60+,61?/m1/s1
SMILES: CC1(O[C@@H]2CO[C@H]3C4=CC=CC=C4CO[C@]3([C@@H]2O1)OCC5=CC=CC=C5)C
InChI: InChI=1S/C22H24O5/c1-21(2)26-18-14-23-19-17-11-7-6-10-16(17)13-25-22(19,20(18)27-21)24-12-15-8-4-3-5-9-15/h3-11,18-20H,12-14H2,1-2H3/t18-,19+,20-,22-/m1/s1
SMILES: CO[C@H]1CN(CC[C@H]1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCC(=O)OC
InChI: InChI=1S/C18H26ClN3O5/c1-25-15-9-13(20)12(19)8-11(15)18(24)21-14-4-6-22(10-16(14)26-2)7-5-17(23)27-3/h8-9,14,16H,4-7,10,20H2,1-3H3,(H,21,24)/t14-,16+/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)CCCN2C(=O)CN3CCN(CC3)C4=CC=CC=C4O
InChI: InChI=1S/C21H31N3O2/c25-20-10-4-3-9-19(20)23-14-12-22(13-15-23)16-21(26)24-11-5-7-17-6-1-2-8-18(17)24/h3-4,9-10,17-18,25H,1-2,5-8,11-16H2/t17-,18+/m1/s1
SMILES: COC1=CC=C(C=C1)O[C@@H]2[C@@H](N(C2=O)C3=CC=CC=C3)[C@H]([C@H]4CCCC4=O)O
InChI: InChI=1S/C22H23NO5/c1-27-15-10-12-16(13-11-15)28-21-19(20(25)17-8-5-9-18(17)24)23(22(21)26)14-6-3-2-4-7-14/h2-4,6-7,10-13,17,19-21,25H,5,8-9H2,1H3/t17-,19-,20-,21+/m0/s1
SMILES: C1=CC=C(C=C1)N2[C@H]([C@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC=C(C=C4)F)C5=C(C=CC(=C5)[N+](=O)[O-])Cl
InChI: InChI=1S/C23H15ClFN3O5/c24-18-11-10-16(28(31)32)12-17(18)20-19-21(33-27(20)15-4-2-1-3-5-15)23(30)26(22(19)29)14-8-6-13(25)7-9-14/h1-12,19-21H/t19-,20-,21+/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2[C@H](CCO[C@H]2C[C@@H]3[C@H]([C@H](O[C@@H]([C@H]3O)CO)OCC4=CC=CC=C4)NC(=O)C)O)O)O)O
InChI: InChI=1S/C28H43NO11/c1-14-24(33)27(36)26(35)21(39-14)10-17-19(32)8-9-37-20(17)11-18-23(29-15(2)31)28(40-22(12-30)25(18)34)38-13-16-6-4-3-5-7-16/h3-7,14,17-28,30,32-36H,8-13H2,1-2H3,(H,29,31)/t14-,17+,18+,19-,20-,21-,22+,23+,24+,25-,26+,27+,28-/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CNC(=O)C5=NC6=CC=CC=C6N=C5)CN(C)CC7=CC=CC=C7
InChI: InChI=1S/C43H42N4O4/c1-29-40(27-47(2)26-30-10-4-3-5-11-30)50-43(51-41(29)33-18-16-31(28-48)17-19-33)34-22-20-32(21-23-34)36-13-7-6-12-35(36)24-45-42(49)39-25-44-37-14-8-9-15-38(37)46-39/h3-23,25,29,40-41,43,48H,24,26-28H2,1-2H3,(H,45,49)/t29-,40+,41+,43+/m0/s1
SMILES: CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-]
InChI: InChI=1S/C21H27NO5S/c1-2-27-21(26)17-15-11-5-3-4-6-12-16(15)28-19(17)22-18(23)13-9-7-8-10-14(13)20(24)25/h7-8,13-14H,2-6,9-12H2,1H3,(H,22,23)(H,24,25)/p-1/t13-,14+/m0/s1
SMILES: [3H]C1=CC(=C2C(=C1)C3=C(N2C)[C@H]4[C@@]56CCN([C@@H]([C@@]5(C3)O)CC7=C6C(=C(C=C7)O)O4)CC8CC8)[3H]
InChI: InChI=1S/C27H28N2O3/c1-28-19-5-3-2-4-17(19)18-13-27(31)21-12-16-8-9-20(30)24-22(16)26(27,25(32-24)23(18)28)10-11-29(21)14-15-6-7-15/h2-5,8-9,15,21,25,30-31H,6-7,10-14H2,1H3/t21-,25+,26+,27-/m1/s1/i2T,5T
SMILES: CC(C)N1CCC(CC1)NC(=O)[C@H]2[C@@H](C3CCC2CC3)C(=O)O
InChI: InChI=1S/C18H30N2O3/c1-11(2)20-9-7-14(8-10-20)19-17(21)15-12-3-5-13(6-4-12)16(15)18(22)23/h11-16H,3-10H2,1-2H3,(H,19,21)(H,22,23)/t12?,13?,15-,16-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC4C2(O4)C#N)CCC5=C3C=CC(=C5)O
InChI: InChI=1S/C19H21NO2/c1-18-7-6-14-13-5-3-12(21)8-11(13)2-4-15(14)16(18)9-17-19(18,10-20)22-17/h3,5,8,14-17,21H,2,4,6-7,9H2,1H3/t14-,15-,16+,17?,18+,19?/m1/s1
SMILES: CC(=O)NC1=C(C=CN=C1N)C[C@@H]2[C@@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C34H37N3O5/c1-24(38)37-31-28(17-18-36-34(31)35)19-29-32(40-21-26-13-7-3-8-14-26)33(41-22-27-15-9-4-10-16-27)30(42-29)23-39-20-25-11-5-2-6-12-25/h2-18,29-30,32-33H,19-23H2,1H3,(H2,35,36)(H,37,38)/t29-,30-,32+,33-/m1/s1
SMILES: C[C@H](CCOCC1=CC=CC=C1)/C=C(/C[C@]2([C@@H]3CCCN3C(=O)O2)C)\[Si](C)(C)C
InChI: InChI=1S/C24H37NO3Si/c1-19(13-15-27-18-20-10-7-6-8-11-20)16-21(29(3,4)5)17-24(2)22-12-9-14-25(22)23(26)28-24/h6-8,10-11,16,19,22H,9,12-15,17-18H2,1-5H3/b21-16-/t19-,22+,24+/m1/s1
SMILES: C[C@@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C
InChI: InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19+/m0/s1
SMILES: C[C@@H](C12[C@H]3[C@@H](C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC=CC7=CC=CC=C76)O
InChI: InChI=1S/C30H23NO3/c1-17(32)30-22-14-6-4-12-20(22)25(21-13-5-7-15-23(21)30)26-27(30)29(34)31(28(26)33)24-16-8-10-18-9-2-3-11-19(18)24/h2-17,25-27,32H,1H3/t17-,25?,26+,27-,30?/m0/s1
SMILES: CC(C)(C)ON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC5=CC=C(C=C5)SC)CCCCO)CCCCO)OCC=C)N(CC6=CC7=C(C=C6)OCO7)C(=O)C8CC8
InChI: InChI=1S/C50H62N2O9S/c1-6-25-58-50-45(52(48(55)33-14-15-33)30-32-13-21-43-44(26-32)57-31-56-43)29-41(51-61-49(2,3)4)39-27-34(11-7-9-23-53)38(12-8-10-24-54)46(47(39)50)40-28-36(18-22-42(40)60-50)59-35-16-19-37(62-5)20-17-35/h6,13,16-22,26-28,33-34,38,45-47,53-54H,1,7-12,14-15,23-25,29-31H2,2-5H3/t34-,38+,45-,46+,47+,50+/m0/s1
SMILES: COC1=CC=C(C=C1)CCN2C(=O)O[C@@H]([C@]2(C3=CC=C(C=C3)OC)O)C4=CC=C(C=C4)OC
InChI: InChI=1S/C26H27NO6/c1-30-21-10-4-18(5-11-21)16-17-27-25(28)33-24(19-6-12-22(31-2)13-7-19)26(27,29)20-8-14-23(32-3)15-9-20/h4-15,24,29H,16-17H2,1-3H3/t24-,26+/m1/s1
SMILES: CC1(CC2=NC3=CC=CC=C3N[C@H]([C@@H]2C(=O)C1)C4=CC=C(C=C4)OCC5=CC=CC=C5)C
InChI: InChI=1S/C28H28N2O2/c1-28(2)16-24-26(25(31)17-28)27(30-23-11-7-6-10-22(23)29-24)20-12-14-21(15-13-20)32-18-19-8-4-3-5-9-19/h3-15,26-27,30H,16-18H2,1-2H3/t26-,27-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@H]([C@]1(C)CC(OC)OO)[C@]([13CH3])(CO)O
InChI: InChI=1S/C20H40O5/c1-14(2)8-7-9-15(3)16-10-11-17(20(5,22)13-21)19(16,4)12-18(24-6)25-23/h14-18,21-23H,7-13H2,1-6H3/t15-,16-,17-,18?,19-,20+/m1/s1/i5+1
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CC[C@H]4CCCC[C@@H]4C3)C
InChI: InChI=1S/C23H35N3O3S/c1-18-7-8-22(19(2)15-18)30(28,29)26-13-11-24(12-14-26)17-23(27)25-10-9-20-5-3-4-6-21(20)16-25/h7-8,15,20-21H,3-6,9-14,16-17H2,1-2H3/p+1/t20-,21-/m1/s1
SMILES: CCCCCCCCCCCCCCCCOP(=O)(OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC2=CC=CC=C2
InChI: InChI=1S/C28H49O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-35-38(34,36-22-19-16-15-17-20-22)37-28-26(32)24(30)23(29)25(31)27(28)33/h15-17,19-20,23-33H,2-14,18,21H2,1H3/t23?,24-,25+,26-,27-,28?,38?/m1/s1
SMILES: C1C[C@H]2C=C[C@@H](C1)[C@]3([C@@H]2S(=O)(=O)C4=CC=CC=C4S3(=O)=O)Cl
InChI: InChI=1S/C15H15ClO4S2/c16-15-11-5-3-4-10(8-9-11)14(15)21(17,18)12-6-1-2-7-13(12)22(15,19)20/h1-2,6-11,14H,3-5H2/t10-,11+,14+,15-/m0/s1
SMILES: C1C[C@H]2C[C@H]1C[C@@H]2NC(=O)CN(C3=C(C=CC(=C3)C(F)(F)F)Cl)S(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C22H22ClF3N2O3S/c23-18-9-8-16(22(24,25)26)12-20(18)28(32(30,31)17-4-2-1-3-5-17)13-21(29)27-19-11-14-6-7-15(19)10-14/h1-5,8-9,12,14-15,19H,6-7,10-11,13H2,(H,27,29)/t14-,15-,19-/m0/s1
SMILES: C[C@@]12CC[C@H](C([C@H]1CC[C@]34[C@H]2C[C@H](CC3)[C@@](C4)(CO)O)(C)C)O
InChI: InChI=1S/C20H34O3/c1-17(2)14-5-9-19-8-4-13(20(23,11-19)12-21)10-15(19)18(14,3)7-6-16(17)22/h13-16,21-23H,4-12H2,1-3H3/t13-,14+,15-,16+,18+,19+,20+/m0/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CN)O)C)O
InChI: InChI=1S/C21H31NO4/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,24,26H,3-8,10-11,22H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
SMILES: CC(C=C)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)F
InChI: InChI=1S/C10H17FO5/c1-3-5(2)15-10-7(11)9(14)8(13)6(4-12)16-10/h3,5-10,12-14H,1,4H2,2H3/t5?,6-,7-,8+,9-,10-/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)CCCN2C(=O)CSC3=NC=NC4=C3C5=C(S4)CCCC5
InChI: InChI=1S/C21H27N3OS2/c25-18(24-11-5-7-14-6-1-3-9-16(14)24)12-26-20-19-15-8-2-4-10-17(15)27-21(19)23-13-22-20/h13-14,16H,1-12H2/t14-,16+/m1/s1
SMILES: CC1=CC=C(C=C1)N2[C@H]([C@H](CCC2=O)C(=O)O)C3=CC=CC=C3OC
InChI: InChI=1S/C20H21NO4/c1-13-7-9-14(10-8-13)21-18(22)12-11-16(20(23)24)19(21)15-5-3-4-6-17(15)25-2/h3-10,16,19H,11-12H2,1-2H3,(H,23,24)/t16-,19-/m0/s1
SMILES: CCOC1=C(C=CC(=C1)[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)F)ON2C5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C32H27FN2O5/c1-2-38-27-19-22(13-18-26(27)39-20-21-9-5-3-6-10-21)29-28-30(40-35(29)25-11-7-4-8-12-25)32(37)34(31(28)36)24-16-14-23(33)15-17-24/h3-19,28-30H,2,20H2,1H3/t28-,29-,30-/m0/s1
SMILES: CCCC[Sn](CCCC)(CCCC)C1=CC=C(C=C1)COC2=NC(=NC3=C2N=CN3[C@H]4C[C@@H]([C@H](O4)CO)O)N
InChI: InChI=1S/C17H18N5O4.3C4H9.Sn/c18-17-20-15-14(16(21-17)25-8-10-4-2-1-3-5-10)19-9-22(15)13-6-11(24)12(7-23)26-13;3*1-3-4-2;/h2-5,9,11-13,23-24H,6-8H2,(H2,18,20,21);3*1,3-4H2,2H3;/t11-,12+,13+;;;;/m0..../s1
SMILES: C1=CC(=CC=C1N=[N+]=[N-])OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=CC(=O)NC6=O)O)O
InChI: InChI=1S/C25H29N10O18P3/c26-21-16-22(29-9-28-21)35(10-30-16)24-19(39)20(14(50-24)8-48-55(43,44)53-56(45,46)51-12-3-1-11(2-4-12)32-33-27)52-54(41,42)47-7-13-17(37)18(38)23(49-13)34-6-5-15(36)31-25(34)40/h1-6,9-10,13-14,17-20,23-24,37-39H,7-8H2,(H,41,42)(H,43,44)(H,45,46)(H2,26,28,29)(H,31,36,40)/t13-,14-,17-,18-,19-,20-,23-,24-/m1/s1
SMILES: CC1=C[C@@H]2[C@@H](CC[C@H]3N2[C@H](C1)C[C@H]4N3C(=O)CCC4)O
InChI: InChI=1S/C16H24N2O2/c1-10-7-12-9-11-3-2-4-16(20)18(11)15-6-5-14(19)13(8-10)17(12)15/h8,11-15,19H,2-7,9H2,1H3/t11-,12+,13+,14+,15-/m0/s1
SMILES: CC(C)C1=C2[C@H]3CC=C4[C@@H]5[C@@H]([C@@]3(CC[C@]2(C=C1)C)C)O[C@H]6[C@@]5([C@H]([C@@]([C@@H]4O)(CO6)O)O)O
InChI: InChI=1S/C25H34O6/c1-12(2)13-7-8-22(3)9-10-23(4)15(16(13)22)6-5-14-17-19(23)31-21-25(17,29)20(27)24(28,11-30-21)18(14)26/h5,7-8,12,15,17-21,26-29H,6,9-11H2,1-4H3/t15-,17-,18-,19+,20+,21+,22-,23-,24+,25-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)OC(F)(F)F
InChI: InChI=1S/C17H20F3N5O2S/c1-11-4-2-3-5-14(11)21-15(26)10-28-16-22-23-24-25(16)12-6-8-13(9-7-12)27-17(18,19)20/h6-9,11,14H,2-5,10H2,1H3,(H,21,26)/t11-,14+/m1/s1
SMILES: C[C@@H](C[C@@H]1CN(C(O1)(C)C)C(=O)OCC2=CC=CC=C2)CC(=O)CC[C@]3([C@@](CCCC34OCCO4)(C)CCO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C38H63NO7Si/c1-29(26-32-27-39(35(5,6)46-32)33(41)42-28-30-15-12-11-13-16-30)25-31(40)17-20-37(8)36(7,18-14-19-38(37)43-23-24-44-38)21-22-45-47(9,10)34(2,3)4/h11-13,15-16,29,32H,14,17-28H2,1-10H3/t29-,32-,36-,37+/m1/s1
SMILES: CC1([C@@H]([C@@H]1C(=O)OC)/C=C(/C2=CC=C(C=C2)F)\Br)C
InChI: InChI=1S/C15H16BrFO2/c1-15(2)11(13(15)14(18)19-3)8-12(16)9-4-6-10(17)7-5-9/h4-8,11,13H,1-3H3/b12-8-/t11-,13-/m1/s1
SMILES: C(CN(CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@H](CO)[C@H]([C@@H]([C@@H](CO)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)O)O)CO)O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChI: InChI=1S/C40H68N8O27/c49-19-22(41-25(52)9-45(13-29(58)59)5-1-43(11-27(54)55)3-7-47(15-31(62)63)16-32(64)65)36(70)37(71)23(20-50)74-40-35(39(73)38(72)24(21-51)75-40)42-26(53)10-46(14-30(60)61)6-2-44(12-28(56)57)4-8-48(17-33(66)67)18-34(68)69/h22-24,35-40,49-51,70-73H,1-21H2,(H,41,52)(H,42,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,68,69)/t22-,23+,24-,35-,36-,37-,38-,39-,40+/m1/s1
SMILES: C1CC=C2[C@@H](C1)[C@@H]([C@](C(=N)[C@@H]2C#N)(C#N)C3=CN=CC=C3)C#N
InChI: InChI=1S/C18H15N5/c19-8-15-13-5-1-2-6-14(13)16(9-20)18(11-21,17(15)22)12-4-3-7-23-10-12/h3-5,7,10,14-16,22H,1-2,6H2/t14-,15-,16+,18+/m1/s1
SMILES: C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=CN=C32)NSC4=CC=C(C=C4)[N+](=O)[O-])CO
InChI: InChI=1S/C16H16N6O5S/c23-6-10-5-12(24)16(27-10)21-8-19-13-14(17-7-18-15(13)21)20-28-11-3-1-9(2-4-11)22(25)26/h1-4,7-8,10,12,16,23-24H,5-6H2,(H,17,18,20)/t10-,12+,16+/m0/s1
SMILES: C[C@H]([C@@H]1C=C[C@@H]1CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)O
InChI: InChI=1S/C23H30O2Si/c1-18(24)22-16-15-19(22)17-25-26(23(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-16,18-19,22,24H,17H2,1-4H3/t18-,19-,22+/m1/s1
SMILES: C[C@@H](C(=O)O[C@H](C)C(=O)NC(=O)OC)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O
InChI: InChI=1S/C16H22N2O7/c1-8(15(22)25-9(2)12(19)17-16(23)24-3)18-13(20)10-6-4-5-7-11(10)14(18)21/h8-11H,4-7H2,1-3H3,(H,17,19,23)/t8-,9+,10-,11+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)C[C@@H](C(=O)OCC=C)NC(=O)OCC2=CC=CC=C2)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C29H37N3O13/c1-6-12-40-28(38)21(31-29(39)42-14-20-10-8-7-9-11-20)13-23(37)32-27-24(30-16(2)33)26(44-19(5)36)25(43-18(4)35)22(45-27)15-41-17(3)34/h6-11,21-22,24-27H,1,12-15H2,2-5H3,(H,30,33)(H,31,39)(H,32,37)/t21-,22+,24+,25+,26+,27+/m0/s1
SMILES: COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)C[C@H]1C3=CC(=C(C=C3)Cl)Cl
InChI: InChI=1S/C15H16Cl2O3/c1-19-15(18)14-10(7-9-3-5-13(14)20-9)8-2-4-11(16)12(17)6-8/h2,4,6,9-10,13-14H,3,5,7H2,1H3/t9-,10+,13+,14-/m1/s1
SMILES: COC1([C@@]2([C@H]([C@@]2(C(=N1)N)C#N)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C#N)OC
InChI: InChI=1S/C15H12ClN5O4/c1-24-15(25-2)14(7-18)11(13(14,6-17)12(19)20-15)8-3-4-9(16)10(5-8)21(22)23/h3-5,11H,1-2H3,(H2,19,20)/t11-,13+,14+/m0/s1
SMILES: CC1=NC(=CC(=N1)[C@@H]2C[C@@H]([C@H](O2)CO)O)C3=CC=CC=C3
InChI: InChI=1S/C16H18N2O3/c1-10-17-12(11-5-3-2-4-6-11)7-13(18-10)15-8-14(20)16(9-19)21-15/h2-7,14-16,19-20H,8-9H2,1H3/t14-,15-,16+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2C[C@H]([C@@H](C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C26H28O4S/c1-20-12-14-23(15-13-20)31(27,28)24-16-25(29-18-21-8-4-2-5-9-21)26(17-24)30-19-22-10-6-3-7-11-22/h2-15,24-26H,16-19H2,1H3/t25-,26-/m1/s1
SMILES: C[C@H]1[C@H](OC(O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNS(=O)(=O)C4=CC=CC=C4)CSC5=CC=CC=N5
InChI: InChI=1S/C31H32N2O5S2/c1-22-28(21-39-29-9-5-6-18-32-29)37-31(38-30(22)25-14-12-24(20-34)13-15-25)26-16-10-23(11-17-26)19-33-40(35,36)27-7-3-2-4-8-27/h2-18,22,28,30-31,33-34H,19-21H2,1H3/t22-,28+,30+,31?/m0/s1
SMILES: CN1CCN(CC1)[C@H]2CO[C@@H]([C@H]3[C@@H]2O3)OCC4=CC=CC=C4
InChI: InChI=1S/C17H24N2O3/c1-18-7-9-19(10-8-18)14-12-21-17(16-15(14)22-16)20-11-13-5-3-2-4-6-13/h2-6,14-17H,7-12H2,1H3/t14-,15+,16+,17-/m0/s1
SMILES: CC(=O)OCC[C@]1(CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CCCC[C@@]43C)C)O
InChI: InChI=1S/C23H34O3/c1-16(24)26-15-14-23(25)13-10-20-18-8-7-17-6-4-5-11-21(17,2)19(18)9-12-22(20,23)3/h6,9,18,20,25H,4-5,7-8,10-15H2,1-3H3/t18-,20+,21+,22+,23+/m1/s1
SMILES: C1=C(C=C(C=C1N[C@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)[N+](=O)[O-])C(=O)O
InChI: InChI=1S/C12H14N2O8/c15-4-8-9(16)10(17)11(22-8)13-6-1-5(12(18)19)2-7(3-6)14(20)21/h1-3,8-11,13,15-17H,4H2,(H,18,19)/t8-,9+,10-,11+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H](CC(=O)C2=CC=CO2)O)C(C)(C)C3=CC=CC=C3
InChI: InChI=1S/C24H30O5/c1-16-11-12-18(24(2,3)17-8-5-4-6-9-17)22(14-16)29-23(27)20(26)15-19(25)21-10-7-13-28-21/h4-10,13,16,18,20,22,26H,11-12,14-15H2,1-3H3/t16-,18-,20+,22-/m1/s1
SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C\3/C[C@@H]([C@]4(O3)CCCO4)N5CCOCC5
InChI: InChI=1S/C23H29N3O3/c1-17-21(18(2)26(24-17)19-7-4-3-5-8-19)15-20-16-22(25-10-13-27-14-11-25)23(29-20)9-6-12-28-23/h3-5,7-8,15,22H,6,9-14,16H2,1-2H3/b20-15-/t22-,23+/m0/s1
SMILES: C1=CC=C2C(=C1)C(=CN2S(=O)(=O)[O-])CC(=NOS(=O)(=O)[O-])S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C16H20N2O12S3/c19-7-11-13(20)14(21)15(22)16(29-11)31-12(17-30-33(26,27)28)5-8-6-18(32(23,24)25)10-4-2-1-3-9(8)10/h1-4,6,11,13-16,19-22H,5,7H2,(H,23,24,25)(H,26,27,28)/p-2/t11-,13-,14+,15-,16+/m1/s1
SMILES: C[C@H]([C@@H]1[C@H](N(C1=O)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC=C)[C@@H](C)C(=O)C)O
InChI: InChI=1S/C32H34NO5P/c1-5-21-38-32(37)31(33-29(22(2)23(3)34)28(24(4)35)30(33)36)39(25-15-9-6-10-16-25,26-17-11-7-12-18-26)27-19-13-8-14-20-27/h5-20,22,24,28-29,35H,1,21H2,2-4H3/t22-,24+,28+,29+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)N2C3=C(C(=O)CC(C3)(C)C)[C@@](C2=O)(C(F)(F)F)NC(=O)CCC4=CC=C(C=C4)OC
InChI: InChI=1S/C29H37F3N2O4/c1-17-7-6-8-21(18(17)2)34-22-15-27(3,4)16-23(35)25(22)28(26(34)37,29(30,31)32)33-24(36)14-11-19-9-12-20(38-5)13-10-19/h9-10,12-13,17-18,21H,6-8,11,14-16H2,1-5H3,(H,33,36)/t17-,18+,21+,28-/m1/s1
SMILES: C1[C@H]([C@H](OC2=C1C(=C(C(=C2)O)CC3=C(C4=C(C=C3O)O[C@@H]([C@@H](C4)OC(=O)C5=CC(=C(C(=C5)O)O)O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C(=C7)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O
InChI: InChI=1S/C45H36O22/c46-22-12-32-20(10-34(42(64-32)14-1-24(48)38(58)25(49)2-14)66-44(62)16-5-28(52)40(60)29(53)6-16)36(56)18(22)9-19-23(47)13-33-21(37(19)57)11-35(43(65-33)15-3-26(50)39(59)27(51)4-15)67-45(63)17-7-30(54)41(61)31(55)8-17/h1-8,12-13,34-35,42-43,46-61H,9-11H2/t34-,35-,42-,43-/m1/s1