EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CN3CCC4=CC(=C(C=C4C3)OC)OC
InChI: InChI=1S/C21H29N3O4/c1-14-6-4-5-8-21(14)19(25)24(20(26)22-21)13-23-9-7-15-10-17(27-2)18(28-3)11-16(15)12-23/h10-11,14H,4-9,12-13H2,1-3H3,(H,22,26)/t14-,21+/m1/s1
SMILES: CCCN([C@H]1CC(=NOCC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OCCN5CC5)OCC=C)CCCCO)CCCCO)S(=O)(=O)C6=CC=CC7=C6N=CC=C7
InChI: InChI=1S/C45H60N4O8S/c1-4-21-49(58(52,53)40-17-11-14-32-15-12-20-46-44(32)40)41-31-38(47-56-6-3)36-29-33(13-7-9-25-50)35(16-8-10-26-51)42-37-30-34(54-28-24-48-22-23-48)18-19-39(37)57-45(41,43(36)42)55-27-5-2/h5,11-12,14-15,17-20,29-30,33,35,41-43,50-51H,2,4,6-10,13,16,21-28,31H2,1,3H3/t33-,35+,41-,42+,43+,45+/m0/s1
SMILES: C[C@]12[C@@H]3[C@@H]4[C@H](O1)OC5C4[C@H]6[C@@H]3[C@@](O2)(O[C@H]6O5)C
InChI: InChI=1S/C12H14O5/c1-11-6-4-3-5-7(6)12(2,17-11)16-10(5)14-8(3)13-9(4)15-11/h3-10H,1-2H3/t3?,4-,5+,6-,7+,8?,9+,10-,11+,12-
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=COC9=C(C8)C=C(C=C9)O)C(=O)N(C7=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C
InChI: InChI=1S/C45H33ClF6N4O6S/c1-19-29-15-24(46)4-9-34(29)63-38(19)32-17-35(54(3)53-32)56-40(59)31-16-30-27(37(43(31,2)42(56)61)21-10-20-11-26(57)5-8-33(20)62-18-21)6-7-28-36(30)41(60)55(39(28)58)25-13-22(44(47,48)49)12-23(14-25)45(50,51)52/h4-6,8-9,11-15,17-18,28,30-31,36-37,57H,7,10,16H2,1-3H3/t28-,30+,31-,36-,37-,43+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC2=CC3=C(C=C2)C(=O)C(=C(O3)C)C4=CC=CC=C4
InChI: InChI=1S/C25H27NO4/c1-16-8-6-7-11-21(16)26-23(27)15-29-19-12-13-20-22(14-19)30-17(2)24(25(20)28)18-9-4-3-5-10-18/h3-5,9-10,12-14,16,21H,6-8,11,15H2,1-2H3,(H,26,27)/t16-,21-/m1/s1
SMILES: C1CCC2=C(CC1)SC(=C2)C(=O)NNC(=O)C[C@@H]3C[C@H]4CC[C@@H]3C4
InChI: InChI=1S/C19H26N2O2S/c22-18(11-15-9-12-6-7-13(15)8-12)20-21-19(23)17-10-14-4-2-1-3-5-16(14)24-17/h10,12-13,15H,1-9,11H2,(H,20,22)(H,21,23)/t12-,13+,15-/m0/s1
SMILES: CC(C)[C@@H]([C@H]1[C@@H](O1)CO)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C19H23O3P/c1-14(2)19(18-17(13-20)22-18)23(21,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17-20H,13H2,1-2H3/t17-,18+,19-/m0/s1
SMILES: C[C@H](C=O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C28H46O2Si/c1-20-11-14-24(30-31(7,8)27(3,4)5)18-23(20)13-12-22-10-9-17-28(6)25(21(2)19-29)15-16-26(22)28/h12-13,19,21,24-26H,1,9-11,14-18H2,2-8H3/b22-12+,23-13-/t21-,24+,25-,26+,28-/m1/s1
SMILES: CC(C)[C@@H]1[C@H](C=C(OC1O)C(=O)OC)C2=CC=C(C=C2)Cl
InChI: InChI=1S/C16H19ClO4/c1-9(2)14-12(10-4-6-11(17)7-5-10)8-13(15(18)20-3)21-16(14)19/h4-9,12,14,16,19H,1-3H3/t12-,14-,16?/m1/s1
SMILES: C[Si](C)(C)OC[C@]12[C@H]([C@@H](C[C@H](O1)N3[C@@]2(CCC3=O)O)O[Si](C)(C)C)O[Si](C)(C)C
InChI: InChI=1S/C19H39NO6Si3/c1-27(2,3)23-13-18-17(26-29(7,8)9)14(25-28(4,5)6)12-16(24-18)20-15(21)10-11-19(18,20)22/h14,16-17,22H,10-13H2,1-9H3/t14-,16+,17+,18-,19+/m1/s1
SMILES: CC(C)NC1=NC(=CS1)C2=NC3=C(C=CC=C3SC)C(=C2)O[C@@H]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)OC5CCCC5)C(=O)N[C@@]6(C[C@H]6C=C)C(=O)O
InChI: InChI=1S/C39H50N6O7S2/c1-8-22-18-39(22,35(48)49)44-33(46)28-16-24(19-45(28)34(47)32(38(4,5)6)43-37(50)52-23-12-9-10-13-23)51-29-17-26(27-20-54-36(42-27)40-21(2)3)41-31-25(29)14-11-15-30(31)53-7/h8,11,14-15,17,20-24,28,32H,1,9-10,12-13,16,18-19H2,2-7H3,(H,40,42)(H,43,50)(H,44,46)(H,48,49)/t22-,24-,28+,32-,39-/m1/s1
SMILES: C[C@@]1(CC(=O)[C@H]([C@@H]([C@H]1C(=O)OC)C2=CC(=CC=C2)OC)C(=O)OC)O
InChI: InChI=1S/C18H22O7/c1-18(22)9-12(19)14(16(20)24-3)13(15(18)17(21)25-4)10-6-5-7-11(8-10)23-2/h5-8,13-15,22H,9H2,1-4H3/t13-,14+,15-,18-/m0/s1
SMILES: C[C@H](CNC1=CC2=CC=CC=C2C=C1)[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C
InChI: InChI=1S/C32H43NO/c1-21(20-33-25-10-8-22-6-4-5-7-23(22)18-25)28-12-13-29-27-11-9-24-19-26(34)14-16-31(24,2)30(27)15-17-32(28,29)3/h4-10,18,21,26-30,33-34H,11-17,19-20H2,1-3H3/t21-,26+,27+,28-,29+,30+,31+,32-/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@H]2CC(=O)OCC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C19H25N3O5/c23-18(12-27-19(24)11-15-10-13-1-2-14(15)9-13)21-8-7-20-16-3-5-17(6-4-16)22(25)26/h3-6,13-15,20H,1-2,7-12H2,(H,21,23)/t13-,14+,15-/m0/s1
SMILES: COC1=CC=C(C=C1)NCCN2C(=O)[C@@H]3CC=C(C[C@H]3C2=O)Cl
InChI: InChI=1S/C17H19ClN2O3/c1-23-13-5-3-12(4-6-13)19-8-9-20-16(21)14-7-2-11(18)10-15(14)17(20)22/h2-6,14-15,19H,7-10H2,1H3/t14-,15-/m1/s1
SMILES: CCCCCCCOC[C@]12[C@H]([C@@H]([C@@H](O1)CN3CCOCC3)OC(=O)NC4=CC=C(C=C4)Cl)OC(O2)(C)C
InChI: InChI=1S/C27H41ClN2O7/c1-4-5-6-7-8-15-33-19-27-24(36-26(2,3)37-27)23(22(35-27)18-30-13-16-32-17-14-30)34-25(31)29-21-11-9-20(28)10-12-21/h9-12,22-24H,4-8,13-19H2,1-3H3,(H,29,31)/t22-,23+,24-,27-/m0/s1
SMILES: CC(CC[C@H]1C(=C)C[C@@H]([C@@H]2[C@@]1(CCC[C@]2(C)CO)C)O)CCO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C26H46O8/c1-15(8-11-33-24-22(32)21(31)20(30)19(13-27)34-24)6-7-17-16(2)12-18(29)23-25(3,14-28)9-5-10-26(17,23)4/h15,17-24,27-32H,2,5-14H2,1,3-4H3/t15?,17-,18-,19+,20+,21-,22+,23-,24+,25+,26+/m0/s1
SMILES: CC[C@H]1C(C(C(C(O1)OC2CC3C(C2)C(=CC4C3C=C5C4CC(=O)OC(CCCC(C(C5=O)CC)OC6CC[C@H]([C@H](O6)C)N(C)C)CC)C)OC)OC)OC
InChI: InChI=1S/C44H71NO10/c1-11-26-15-14-16-37(54-39-18-17-35(45(6)7)25(5)51-39)28(12-2)40(47)34-22-32-30(33(34)23-38(46)52-26)19-24(4)29-20-27(21-31(29)32)53-44-43(50-10)42(49-9)41(48-8)36(13-3)55-44/h19,22,25-33,35-37,39,41-44H,11-18,20-21,23H2,1-10H3/t25-,26?,27?,28?,29?,30?,31?,32?,33?,35-,36+,37?,39?,41?,42?,43?,44?/m1/s1
SMILES: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC(C3=C2CC=C4[C@@]3(CC[C@@H](C4)O)C)O)C
InChI: InChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)23-11-12-24-22-10-9-20-15-21(29)13-14-27(20,5)26(22)25(30)16-28(23,24)6/h7-9,17-19,21,23-25,29-30H,10-16H2,1-6H3/b8-7+/t18-,19+,21-,23+,24-,25?,27-,28+/m0/s1
SMILES: C[C@H]1[C@H]([C@H](CC(O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N6CCOCC6)O
InChI: InChI=1S/C31H35NO12/c1-14-26(35)17(32-6-8-42-9-7-32)10-21(43-14)44-19-12-31(40,20(34)13-33)11-16-23(19)30(39)25-24(28(16)37)27(36)15-4-3-5-18(41-2)22(15)29(25)38/h3-5,14,17,19,21,26,33,35,37,39-40H,6-13H2,1-2H3/t14-,17-,19-,21?,26+,31-/m0/s1
SMILES: C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O
InChI: InChI=1S/C29H24O17/c30-12-3-1-9(5-13(12)31)2-4-17(34)45-29-25(40)24(39)26-16(44-29)8-43-27(41)10-6-14(32)20(35)22(37)18(10)19-11(28(42)46-26)7-15(33)21(36)23(19)38/h1-7,16,24-26,29-33,35-40H,8H2/b4-2+/t16-,24-,25-,26-,29+/m1/s1
SMILES: CC1=NC(=CC=C1)COC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOCC5=CC=C(C=C5)[N+](=O)[O-])C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)N(CC7=CC=C(C=C7)F)C(=O)CCC8CCCC8)OCC=C
InChI: InChI=1S/C56H67FN4O9/c1-3-31-68-56-52(60(35-40-17-22-43(57)23-18-40)53(64)28-21-39-12-4-5-13-39)34-50(59-69-36-41-19-24-45(25-20-41)61(65)66)48-32-42(14-6-8-29-62)47(16-7-9-30-63)54(55(48)56)49-33-46(26-27-51(49)70-56)67-37-44-15-10-11-38(2)58-44/h3,10-11,15,17-20,22-27,32-33,39,42,47,52,54-55,62-63H,1,4-9,12-14,16,21,28-31,34-37H2,2H3/t42-,47+,52-,54+,55+,56+/m0/s1
SMILES: CCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
InChI: InChI=1S/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h14-15,22-24,28-30,34,45-46H,4-13,16-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b15-14+/t24-,28-,29-,30?,34-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)CN2C(=O)CCOC3=CC=CC=C32
InChI: InChI=1S/C20H26N2O5/c1-14-6-2-3-7-15(14)21-18(23)13-27-20(25)12-22-16-8-4-5-9-17(16)26-11-10-19(22)24/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3,(H,21,23)/t14-,15+/m1/s1
SMILES: CC(=O)[C@]1(CCC2[C@@]1(CC=C3C2CCC4=CC(=O)CC[C@@]43C)C)O
InChI: InChI=1S/C21H28O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h7,12,16,18,24H,4-6,8-11H2,1-3H3/t16?,18?,19-,20-,21-/m0/s1
SMILES: CC[C@H]1C[C@]2([C@@H](CCC2=O)[C@H]3[C@H]1C4=C(CC3)C=C(C=C4)OC5CCCCO5)C
InChI: InChI=1S/C25H34O3/c1-3-16-15-25(2)21(11-12-22(25)26)20-9-7-17-14-18(8-10-19(17)24(16)20)28-23-6-4-5-13-27-23/h8,10,14,16,20-21,23-24H,3-7,9,11-13,15H2,1-2H3/t16-,20-,21-,23?,24+,25-/m0/s1
SMILES: C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CC=O)C)O[C@H]3CC[C@@H]([C@H](O3)C)N(C)C
InChI: InChI=1S/C36H62N2O11/c1-21-19-25(17-18-39)34(49-36-33(43)31(38(7)8)32(42)24(4)47-36)35(44-9)27(40)20-29(41)45-22(2)13-11-10-12-14-28(21)48-30-16-15-26(37(5)6)23(3)46-30/h10-12,14,18,21-28,30-36,40,42-43H,13,15-17,19-20H2,1-9H3/b11-10+,14-12+/t21-,22-,23-,24-,25+,26+,27-,28+,30+,31+,32-,33-,34+,35+,36+/m1/s1
SMILES: COC1=CC=C(C=C1)C(=O)COC2=CC=C(C=C2)N3C(=O)[C@@H]4CCCC[C@H]4C3=O
InChI: InChI=1S/C23H23NO5/c1-28-17-10-6-15(7-11-17)21(25)14-29-18-12-8-16(9-13-18)24-22(26)19-4-2-3-5-20(19)23(24)27/h6-13,19-20H,2-5,14H2,1H3/t19-,20-/m1/s1
SMILES: C[C@H]1C2=CC[C@@]34CO[C@@]([C@@H]3CCO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)([C@H](C[C@@H]4[C@]2(CCC17OCCO7)C)O)CO[Si](C8=CC=CC=C8)(C9=CC=CC=C9)C(C)(C)C
InChI: InChI=1S/C54H70O6Si2/c1-40-45-29-31-52-38-58-53(48(55)37-47(52)51(45,8)32-33-54(40)56-35-36-57-54,39-60-62(50(5,6)7,43-25-17-11-18-26-43)44-27-19-12-20-28-44)46(52)30-34-59-61(49(2,3)4,41-21-13-9-14-22-41)42-23-15-10-16-24-42/h9-29,40,46-48,55H,30-39H2,1-8H3/t40-,46+,47+,48-,51-,52+,53-/m0/s1
SMILES: CC(=O)O[C@@H]1CC[C@@]2([C@@H]3CC[C@@]4([C@@H]([C@H]3CC=C2C1)CCC4=O)C)/C=N\O
InChI: InChI=1S/C21H29NO4/c1-13(23)26-15-7-10-21(12-22-25)14(11-15)3-4-16-17-5-6-19(24)20(17,2)9-8-18(16)21/h3,12,15-18,25H,4-11H2,1-2H3/b22-12-/t15-,16-,17-,18-,20-,21-/m1/s1
SMILES: C1[C@H]([C@@H]2CO[C@H](C1=O)O2)SC3=NC(=CC(=N3)C(F)(F)F)C4=CC=C(C=C4)F
InChI: InChI=1S/C17H12F4N2O3S/c18-9-3-1-8(2-4-9)10-5-14(17(19,20)21)23-16(22-10)27-13-6-11(24)15-25-7-12(13)26-15/h1-5,12-13,15H,6-7H2/t12-,13+,15-/m0/s1
SMILES: CCC#CCC(C)(C)[C@H](/C(=C/[C@@H]1[C@H]2CCC(=C[C@H]2C[C@H]1O)CCOCC(=O)OC(C)(C)C)/Cl)O
InChI: InChI=1S/C28H43ClO5/c1-7-8-9-13-28(5,6)26(32)23(29)17-22-21-11-10-19(15-20(21)16-24(22)30)12-14-33-18-25(31)34-27(2,3)4/h15,17,20-22,24,26,30,32H,7,10-14,16,18H2,1-6H3/b23-17-/t20-,21-,22+,24+,26-/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@H]([C@@H]([C@@H](O4)CO)O)O
InChI: InChI=1S/C17H17N5O5/c23-6-10-12(24)13(25)17(27-10)22-8-20-11-14(18-7-19-15(11)22)21-16(26)9-4-2-1-3-5-9/h1-5,7-8,10,12-13,17,23-25H,6H2,(H,18,19,21,26)/t10-,12+,13-,17+/m0/s1
SMILES: COC(=O)[C@@H]1[C@H]([C@@H](CC1=O)C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C21H18O7/c1-24-21(23)20-14(22)8-13(11-2-4-15-17(6-11)27-9-25-15)19(20)12-3-5-16-18(7-12)28-10-26-16/h2-7,13,19-20H,8-10H2,1H3/t13-,19-,20-/m0/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@H]1[C@@H]2C[C@@H]3[C@H]1/C(=C\4/[C@@H]5C[C@@H]6[C@H]4[C@H]([C@H]5C6)O[Si](C(C)C)(C(C)C)C(C)C)/[C@H]2C3
InChI: InChI=1S/C34H60O2Si2/c1-17(2)37(18(3)4,19(5)6)35-33-27-15-23-13-25(27)31(29(23)33)32-26-14-24-16-28(26)34(30(24)32)36-38(20(7)8,21(9)10)22(11)12/h17-30,33-34H,13-16H2,1-12H3/b32-31-/t23-,24+,25+,26-,27-,28+,29+,30-,33-,34-/m0/s1
SMILES: C[C@]12C[C@H]([C@H]3[C@@]1(C3)[C@@](CO2)(C)O)OC(=O)[C@](C4=CC=CC=C4)(C(F)(F)F)OC
InChI: InChI=1S/C20H23F3O5/c1-16(25)11-27-17(2)10-14(13-9-18(13,16)17)28-15(24)19(26-3,20(21,22)23)12-7-5-4-6-8-12/h4-8,13-14,25H,9-11H2,1-3H3/t13-,14+,16-,17-,18-,19+/m0/s1
SMILES: CC1=C(C(=O)N(C(=N1)SC)[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)Br
InChI: InChI=1S/C12H17BrN2O6S/c1-4-6(13)10(20)15(12(14-4)22-2)11-9(19)8(18)7(17)5(3-16)21-11/h5,7-9,11,16-19H,3H2,1-2H3/t5-,7+,8+,9-,11-/m1/s1
SMILES: CC1(O[C@@H]2[C@@H]3[C@H]4[C@H](C[C@@H]([C@H]4[C@H]([C@@H]2O1)O[Si](C)(C)C(C)(C)C)CC5=CC(=C(C=C5)OC)OCOC)[C@H](O3)O)C
InChI: InChI=1S/C29H46O8Si/c1-28(2,3)38(8,9)37-24-21-17(12-16-10-11-19(32-7)20(13-16)33-15-31-6)14-18-22(21)23(34-27(18)30)25-26(24)36-29(4,5)35-25/h10-11,13,17-18,21-27,30H,12,14-15H2,1-9H3/t17-,18-,21+,22-,23-,24+,25+,26-,27-/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](N1C)C#CC2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C19H19NO/c1-15-19(17-11-7-4-8-12-17)21-18(20(15)2)14-13-16-9-5-3-6-10-16/h3-12,15,18-19H,1-2H3/t15-,18-,19-/m0/s1
SMILES: CN1[C@H]([C@@H]([C@H]([C@@H]1C2=CC=CC=C2)C(=O)OC)C(=O)OC)C3=CC=CC=C3
InChI: InChI=1S/C21H23NO4/c1-22-18(14-10-6-4-7-11-14)16(20(23)25-2)17(21(24)26-3)19(22)15-12-8-5-9-13-15/h4-13,16-19H,1-3H3/t16-,17-,18+,19+/m1/s1
SMILES: C[C@@H](CCCC(C)C)[C@@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CCC4=CC(=O)CC[C@]34C)C
InChI: InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24-,25+,26-,27+/m0/s1
SMILES: C[C@H]1C[C@H]2[C@H]3C[C@H]4[C@@]5(O4)C[C@@H](CC[C@]5([C@H]3CC[C@]2([C@@H]1C(=O)C)C)C)OC(=O)C
InChI: InChI=1S/C24H36O4/c1-13-10-19-17-11-20-24(28-20)12-16(27-15(3)26)6-9-23(24,5)18(17)7-8-22(19,4)21(13)14(2)25/h13,16-21H,6-12H2,1-5H3/t13-,16+,17-,18-,19-,20-,21-,22+,23-,24-/m0/s1
SMILES: CC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)NC2=CC=CC(=C2)C3O[C@@H]([C@H]([C@@H](O3)C4=CC=C(C=C4)CO)C5=CC=CC=C5)CSC6=NC=NN6
InChI: InChI=1S/C37H37N5O5S/c1-24(44)31(19-25-9-4-2-5-10-25)41-36(45)40-30-14-8-13-29(20-30)35-46-32(22-48-37-38-23-39-42-37)33(27-11-6-3-7-12-27)34(47-35)28-17-15-26(21-43)16-18-28/h2-18,20,23,31-35,43H,19,21-22H2,1H3,(H,38,39,42)(H2,40,41,45)/t31-,32-,33-,34+,35?/m1/s1
SMILES: C[C@H]1CC[C@@H]2[C@]13CC(C(=O)[C@H]3C[C@@H]2C(=O)OC)(C)C
InChI: InChI=1S/C16H24O3/c1-9-5-6-11-10(14(18)19-4)7-12-13(17)15(2,3)8-16(9,11)12/h9-12H,5-8H2,1-4H3/t9-,10-,11-,12+,16-/m0/s1
SMILES: C[C@H](CCCC[C@@H]1[C@H](C(=O)O1)CO)CC2(C(O2)/C(=C/C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)/C)C
InChI: InChI=1S/C31H38O6/c1-21(12-10-11-17-26-25(20-32)30(34)35-26)19-31(3)29(37-31)22(2)18-27(33)36-28(23-13-6-4-7-14-23)24-15-8-5-9-16-24/h4-9,13-16,18,21,25-26,28-29,32H,10-12,17,19-20H2,1-3H3/b22-18+/t21-,25-,26-,29?,31?/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C=CC5=CC(=C(C=C5)O)OC)C(=O)N(C4=O)C6=CC=C(C=C6)NC7=CC=CC=C7)C(=O)N(C2=O)C8=CC(=C(C=C8)F)Cl
InChI: InChI=1S/C42H35ClFN3O6/c1-42-31(17-8-23-9-19-35(48)36(20-23)53-2)28-15-16-29-37(30(28)22-32(42)39(50)47(41(42)52)27-14-18-34(44)33(43)21-27)40(51)46(38(29)49)26-12-10-25(11-13-26)45-24-6-4-3-5-7-24/h3-15,17-21,29-32,37,45,48H,16,22H2,1-2H3/t29-,30+,31-,32-,37-,42-/m0/s1
SMILES: COC1=CC=C(C=C1)NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3[NH3+]
InChI: InChI=1S/C14H18N2O5/c1-18-9-4-2-8(3-5-9)16-14(17)21-11-7-20-12-10(15)6-19-13(11)12/h2-5,10-13H,6-7,15H2,1H3,(H,16,17)/p+1/t10-,11+,12+,13+/m0/s1
SMILES: CC(=CCC1=CC2=C(C=C1O)OC[C@@H]3[C@H]2OC4=C3C=CC5=C4CC(C(O5)(C)C)O)C
InChI: InChI=1S/C25H28O5/c1-13(2)5-6-14-9-16-21(11-19(14)26)28-12-18-15-7-8-20-17(23(15)29-24(16)18)10-22(27)25(3,4)30-20/h5,7-9,11,18,22,24,26-27H,6,10,12H2,1-4H3/t18-,22?,24-/m0/s1
SMILES: CC1=CC2=C(CCC[C@@H]3C2=NN([C@H]3C4=CC=C(C=C4)Br)C(=O)C)C=C1
InChI: InChI=1S/C21H21BrN2O/c1-13-6-7-15-4-3-5-18-20(19(15)12-13)23-24(14(2)25)21(18)16-8-10-17(22)11-9-16/h6-12,18,21H,3-5H2,1-2H3/t18-,21+/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=S)NC2=CC=C(C=C2)OC(F)F
InChI: InChI=1S/C16H22F2N2OS/c1-10-4-3-5-14(11(10)2)20-16(22)19-12-6-8-13(9-7-12)21-15(17)18/h6-11,14-15H,3-5H2,1-2H3,(H2,19,20,22)/t10-,11-,14-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]([C@H]2C(=O)N(C)C)C3=CN=CC=C3
InChI: InChI=1S/C17H19N3O3S/c1-12-6-8-14(9-7-12)24(22,23)20-15(13-5-4-10-18-11-13)16(20)17(21)19(2)3/h4-11,15-16H,1-3H3/t15-,16+,20?/m1/s1
SMILES: C1[C@@H]2C[C@@H]3[C@H]1[C@@H]([C@H]2C(=O)OCC(=O)NC4=CC(=CC=C4)Cl)C(=O)O3
InChI: InChI=1S/C17H16ClNO5/c18-9-2-1-3-10(6-9)19-13(20)7-23-16(21)14-8-4-11-12(5-8)24-17(22)15(11)14/h1-3,6,8,11-12,14-15H,4-5,7H2,(H,19,20)/t8-,11+,12-,14+,15+/m1/s1
SMILES: C1C=CC[C@H]([C@@H]1C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=C(C=C4)Br
InChI: InChI=1S/C28H24BrNO4/c29-21-17-15-20(16-18-21)26(31)19-34-28(33)25-14-8-7-13-24(25)27(32)30(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-12,15-18,24-25H,13-14,19H2/t24-,25-/m1/s1
SMILES: C1C[C@@H]2[C@@H](NC(=O)NC23[C@@H](C1)[C@H](NC(=O)N3)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C22H24N4O2/c27-20-23-18(14-8-3-1-4-9-14)16-12-7-13-17-19(15-10-5-2-6-11-15)24-21(28)26-22(16,17)25-20/h1-6,8-11,16-19H,7,12-13H2,(H2,23,25,27)(H2,24,26,28)/t16-,17+,18+,19-,22?
SMILES: C[C@@]1([C@@H](CC[C@H]1O)C(C)(C)[Se]C2=CC=CC=C2)C(=O)OC
InChI: InChI=1S/C17H24O3Se/c1-16(2,21-12-8-6-5-7-9-12)13-10-11-14(18)17(13,3)15(19)20-4/h5-9,13-14,18H,10-11H2,1-4H3/t13-,14+,17-/m0/s1
SMILES: C=CC[C@@H]1[C@@]23C=C[C@@H](O2)[C@H]([C@@H]3C(=O)N1CC4=CC=CC=C4)C(=O)O
InChI: InChI=1S/C19H19NO4/c1-2-6-14-19-10-9-13(24-19)15(18(22)23)16(19)17(21)20(14)11-12-7-4-3-5-8-12/h2-5,7-10,13-16H,1,6,11H2,(H,22,23)/t13-,14-,15-,16-,19-/m1/s1
SMILES: COC1=C2C=COC2=CC(=C1C(=O)/C=C/C3=CC=CC=C3)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C52H48O9/c1-54-48-42-29-30-56-44(42)31-45(47(48)43(53)28-27-37-17-7-2-8-18-37)60-52-51(59-35-41-25-15-6-16-26-41)50(58-34-40-23-13-5-14-24-40)49(57-33-39-21-11-4-12-22-39)46(61-52)36-55-32-38-19-9-3-10-20-38/h2-31,46,49-52H,32-36H2,1H3/b28-27+/t46-,49-,50+,51-,52+/m1/s1
SMILES: C[C@H](C=O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C3C4=C(CC[C@@H](C4)O[Si](C)(C)C(C)(C)C)CS3(=O)=O)C
InChI: InChI=1S/C28H46O4SSi/c1-19(17-29)24-12-13-25-20(9-8-14-28(24,25)5)15-26-23-16-22(32-34(6,7)27(2,3)4)11-10-21(23)18-33(26,30)31/h15,17,19,22,24-26H,8-14,16,18H2,1-7H3/b20-15+/t19-,22+,24-,25+,26?,28-/m1/s1
SMILES: C[C@H]1[C@@H]([C@@H]2[C@@H]([C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)C=C([C@H]([C@H]2CO)CO[Si](C)(C)C(C)(C)C)C)O
InChI: InChI=1S/C28H56O4Si2/c1-17(2)34(18(3)4,19(5)6)32-27-21(8)26(30)25-22(27)14-20(7)24(23(25)15-29)16-31-33(12,13)28(9,10)11/h14,17-19,21-27,29-30H,15-16H2,1-13H3/t21-,22-,23+,24+,25+,26-,27+/m0/s1
SMILES: CC[C@@H]1CC[C@@H]2[C@@H]([C@H]1COC(=O)C)CC[C@]3([C@H]2CC[C@@H]3OC(=O)C)C
InChI: InChI=1S/C21H34O4/c1-5-15-6-7-17-16(18(15)12-24-13(2)22)10-11-21(4)19(17)8-9-20(21)25-14(3)23/h15-20H,5-12H2,1-4H3/t15-,16+,17-,18+,19+,20+,21+/m1/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CC1=CC=CC2=CC=CC=C21)[C@H]3CC(=NOCC4=CC=C(C=C4)[N+](=O)[O-])C5=C[C@@H]([C@H]([C@H]6[C@@H]5[C@@]3(OC7=C6C=C(C=C7)OC8=CC(=C(C=C8)C)C)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C66H83N3O10/c1-5-7-8-9-10-11-12-13-14-21-40-75-65(72)68(45-52-26-22-25-50-23-15-16-27-56(50)52)62-44-60(67-77-46-49-30-32-53(33-31-49)69(73)74)58-42-51(24-17-19-37-70)57(28-18-20-38-71)63-59-43-55(78-54-34-29-47(3)48(4)41-54)35-36-61(59)79-66(62,64(58)63)76-39-6-2/h6,15-16,22-23,25-27,29-36,41-43,51,57,62-64,70-71H,2,5,7-14,17-21,24,28,37-40,44-46H2,1,3-4H3/t51-,57+,62-,63+,64+,66+/m0/s1
SMILES: CC(=O)NC([C@H]1CC(C[C@@H]1N=C(N)N)C(=O)O)C(=O)N2CCCCC2
InChI: InChI=1S/C16H27N5O4/c1-9(22)19-13(14(23)21-5-3-2-4-6-21)11-7-10(15(24)25)8-12(11)20-16(17)18/h10-13H,2-8H2,1H3,(H,19,22)(H,24,25)(H4,17,18,20)/t10?,11-,12-,13?/m0/s1
SMILES: CC[C@H](CC[C@H]1[C@H]([C@H]([C@@H](C(=O)O1)C)OCC2=CC=C(C=C2)OC)C)[C@@H]3COC(O3)(C)C
InChI: InChI=1S/C25H38O6/c1-7-19(22-15-29-25(4,5)31-22)10-13-21-16(2)23(17(3)24(26)30-21)28-14-18-8-11-20(27-6)12-9-18/h8-9,11-12,16-17,19,21-23H,7,10,13-15H2,1-6H3/t16-,17+,19-,21+,22+,23-/m1/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N/O)/C3=C(SC(=N3)N)Cl)C(=O)O)/C=C/SC4=NC(=C5C=NNC5=N4)N
InChI: InChI=1S/C19H15ClN10O5S3/c20-11-7(25-18(22)38-11)8(29-35)14(31)24-9-15(32)30-10(17(33)34)5(4-37-16(9)30)1-2-36-19-26-12(21)6-3-23-28-13(6)27-19/h1-3,9,16,35H,4H2,(H2,22,25)(H,24,31)(H,33,34)(H3,21,23,26,27,28)/b2-1+,29-8+/t9-,16-/m1/s1
SMILES: COC1=CC=C(C=C1)NC(=O)CN2C3=C([C@H]4[C@H](COC5=CC=CC=C45)CS3)SC2=O
InChI: InChI=1S/C22H20N2O4S2/c1-27-15-8-6-14(7-9-15)23-18(25)10-24-21-20(30-22(24)26)19-13(12-29-21)11-28-17-5-3-2-4-16(17)19/h2-9,13,19H,10-12H2,1H3,(H,23,25)/t13-,19+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)NCC(COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)O)C)C
InChI: InChI=1S/C52H71NO6/c1-35(2)12-11-13-36(3)46-26-27-47-45-25-20-40-32-44(28-30-50(40,4)48(45)29-31-51(46,47)5)59-49(55)53-33-41(54)34-58-52(37-14-9-8-10-15-37,38-16-21-42(56-6)22-17-38)39-18-23-43(57-7)24-19-39/h8-10,14-24,35-36,41,44-48,54H,11-13,25-34H2,1-7H3,(H,53,55)/t36-,41?,44+,45+,46-,47+,48+,50+,51-/m1/s1
SMILES: C=CC[C@H]1[C@@H](N(C=CC1=O)CC2=CC=CC=C2)C3=CC=CC=C3I.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChI: InChI=1S/C21H20INO.3CO.Cr/c1-2-8-18-20(24)13-14-23(15-16-9-4-3-5-10-16)21(18)17-11-6-7-12-19(17)22;3*1-2;/h2-7,9-14,18,21H,1,8,15H2;;;;/t18-,21+;;;;/m1..../s1
SMILES: CC(=O)O[C@@]1(CC[C@@H]2C[C@H]1OO[C@@]2(C)CS(=O)(=O)C3=CC=CC=C3)C
InChI: InChI=1S/C18H24O6S/c1-13(19)22-17(2)10-9-14-11-16(17)23-24-18(14,3)12-25(20,21)15-7-5-4-6-8-15/h4-8,14,16H,9-12H2,1-3H3/t14-,16-,17-,18+/m1/s1
SMILES: COC1=CC=CC2=C1CC[C@@H]3[C@H]2CN(C3)CCN4C(=O)C5=C(C=C(C=C5)Cl)NC4=O
InChI: InChI=1S/C23H24ClN3O3/c1-30-21-4-2-3-16-17(21)7-5-14-12-26(13-19(14)16)9-10-27-22(28)18-8-6-15(24)11-20(18)25-23(27)29/h2-4,6,8,11,14,19H,5,7,9-10,12-13H2,1H3,(H,25,29)/t14-,19+/m0/s1
SMILES: C1COCC[N+]1(C2=CC(=C(C=C2)NC(=O)OCC3=CC=CC=C3)C[C@@H]4[C@@H](O4)CO)[O-]
InChI: InChI=1S/C22H26N2O6/c25-14-21-20(30-21)13-17-12-18(24(27)8-10-28-11-9-24)6-7-19(17)23-22(26)29-15-16-4-2-1-3-5-16/h1-7,12,20-21,25H,8-11,13-15H2,(H,23,26)/t20-,21+/m1/s1
SMILES: C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3([C@@H](C(=O)[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)C)C)OC1
InChI: InChI=1S/C27H42O5/c1-14-7-10-27(31-13-14)15(2)21-20(32-27)12-19-18-6-5-16-11-17(28)8-9-25(16,3)22(18)23(29)24(30)26(19,21)4/h14-22,24,28,30H,5-13H2,1-4H3/t14-,15+,16+,17+,18+,19+,20+,21+,22-,24-,25+,26+,27-/m1/s1
SMILES: CCOC(=O)C1=NN([C@H]2[C@H]1C(=O)N(C2=O)C3=CC=C(C=C3)F)C(=O)C
InChI: InChI=1S/C16H14FN3O5/c1-3-25-16(24)12-11-13(20(18-12)8(2)21)15(23)19(14(11)22)10-6-4-9(17)5-7-10/h4-7,11,13H,3H2,1-2H3/t11-,13-/m0/s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)N2CCC3(CC2)C(=O)NCN3C4=CC=CC=C4)C5=CC=CC=C5)CCCO
InChI: InChI=1S/C30H37N3O5/c1-2-37-28-24(14-9-19-34)25(22-10-5-3-6-11-22)20-26(38-28)27(35)32-17-15-30(16-18-32)29(36)31-21-33(30)23-12-7-4-8-13-23/h3-8,10-13,20,24-25,28,34H,2,9,14-19,21H2,1H3,(H,31,36)/t24-,25+,28+/m0/s1
SMILES: C=C1[C@H]([C@H](NC(=S)N1)C2=CC(=CC=C2)F)C(=O)NCC3=CC=CC=C3
InChI: InChI=1S/C19H18FN3OS/c1-12-16(18(24)21-11-13-6-3-2-4-7-13)17(23-19(25)22-12)14-8-5-9-15(20)10-14/h2-10,16-17H,1,11H2,(H,21,24)(H2,22,23,25)/t16-,17-/m1/s1
SMILES: CC(=O)[C@@H]1[C@@H]2[C@H](O[C@@H]1C(CC(=O)NC(CC(=O)O)[C@@H]3[C@@H]([C@@H]4[C@H](O3)OC(O4)(C)C)C(=O)C)NC(=O)OC(C)(C)C)OC(O2)(C)C
InChI: InChI=1S/C29H44N2O13/c1-12(32)18-20(38-24-22(18)40-28(6,7)42-24)14(31-26(37)44-27(3,4)5)10-16(34)30-15(11-17(35)36)21-19(13(2)33)23-25(39-21)43-29(8,9)41-23/h14-15,18-25H,10-11H2,1-9H3,(H,30,34)(H,31,37)(H,35,36)/t14?,15?,18-,19-,20+,21+,22+,23+,24+,25+/m0/s1
SMILES: COC1=CC(=C(C=C1)O)[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)N(C5=O)C(=O)OC)C(=O)N(C3=O)C(=O)OC
InChI: InChI=1S/C25H24N2O10/c1-35-10-4-7-16(28)14(8-10)17-11-5-6-12-18(22(31)26(20(12)29)24(33)36-2)13(11)9-15-19(17)23(32)27(21(15)30)25(34)37-3/h4-5,7-8,12-13,15,17-19,28H,6,9H2,1-3H3/t12-,13+,15+,17+,18-,19+/m0/s1
SMILES: C1[C@H]([C@H](OC2=C(C=C3C(CC(=O)OC3=C21)C4=CC(=C(C=C4)O)O)O)C5=CC(=C(C=C5)O)O)O
InChI: InChI=1S/C24H20O9/c25-15-3-1-10(5-17(15)27)12-9-21(31)32-23-13(12)7-20(30)24-14(23)8-19(29)22(33-24)11-2-4-16(26)18(28)6-11/h1-7,12,19,22,25-30H,8-9H2/t12?,19-,22-/m1/s1
SMILES: C[C@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@@H]3C[NH+]4C[C@]5(C[C@@H]4CC(C5)(C)C)C)C
InChI: InChI=1S/C25H39NO2/c1-16-7-6-8-25(5)12-21-18(9-20(16)25)19(22(27)28-21)13-26-15-24(4)11-17(26)10-23(2,3)14-24/h9,16-19,21H,6-8,10-15H2,1-5H3/p+1/t16-,17-,18+,19+,21+,24-,25+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H]2CC[C@H]1C(C2SC3=CC=CC=C3)OS(=O)(=O)C
InChI: InChI=1S/C21H34O4S2Si/c1-21(2,3)28(5,6)25-18-14-15-12-13-17(18)19(24-27(4,22)23)20(15)26-16-10-8-7-9-11-16/h7-11,15,17-20H,12-14H2,1-6H3/t15-,17+,18-,19?,20?/m0/s1
SMILES: CC(C)([C@H]1[C@@H](C2=C(C3=CC=CC=C3C(=C2O1)OC)OC)O)O
InChI: InChI=1S/C17H20O5/c1-17(2,19)16-12(18)11-13(20-3)9-7-5-6-8-10(9)14(21-4)15(11)22-16/h5-8,12,16,18-19H,1-4H3/t12-,16-/m1/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)[C@@H]5CCCN5C(=O)C(F)(F)F)CN(CC=C)C6CCCC6
InChI: InChI=1S/C41H48F3N3O5/c1-3-22-46(33-10-5-6-11-33)25-36-27(2)37(30-16-14-28(26-48)15-17-30)52-39(51-36)31-20-18-29(19-21-31)34-12-7-4-9-32(34)24-45-38(49)35-13-8-23-47(35)40(50)41(42,43)44/h3-4,7,9,12,14-21,27,33,35-37,39,48H,1,5-6,8,10-11,13,22-26H2,2H3,(H,45,49)/t27-,35-,36+,37+,39+/m0/s1