EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=CC(=C(C=C1)NC(=O)[C@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)[O-])O3)Br
InChI: InChI=1S/C15H16BrNO4/c1-7-2-3-9(8(16)6-7)17-14(18)12-10-4-5-11(21-10)13(12)15(19)20/h2-3,6,10-13H,4-5H2,1H3,(H,17,18)(H,19,20)/p-1/t10-,11+,12+,13+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCC[Si](C)(C)C)OCC2=CC=CC=C2)OCC3=CC=C(C=C3)OC)OCC4=CC=CC=C4
InChI: InChI=1S/C39H58O7Si2/c1-39(2,3)48(8,9)45-29-34-35(42-26-30-16-12-10-13-17-30)36(43-28-32-20-22-33(40-4)23-21-32)37(44-27-31-18-14-11-15-19-31)38(46-34)41-24-25-47(5,6)7/h10-23,34-38H,24-29H2,1-9H3/t34-,35-,36+,37-,38-/m1/s1
SMILES: C[C@@H]1C=CC[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C
InChI: InChI=1S/C29H42O5/c1-18-5-4-6-26(33-18)34-21-9-12-27(2)20(16-21)7-8-24-23(27)10-13-28(3)22(11-14-29(24,28)31)19-15-25(30)32-17-19/h4-5,15,18,20-24,26,31H,6-14,16-17H2,1-3H3/t18-,20-,21+,22-,23+,24-,26+,27+,28-,29+/m1/s1
SMILES: C/C/1=C\CC[C@]2(C=C([C@H](CC/C(=C/CC1)/C)[C@@H]([C@@H]2O)O)CCl)C
InChI: InChI=1S/C20H31ClO2/c1-14-6-4-7-15(2)9-10-17-16(13-21)12-20(3,11-5-8-14)19(23)18(17)22/h7-8,12,17-19,22-23H,4-6,9-11,13H2,1-3H3/b14-8+,15-7+/t17-,18-,19-,20-/m0/s1
SMILES: CC1([C@H]2CC[C@@]1([C@H](C2)OC(=O)[C@]3(CC(=O)N3CC4=CC=C(C=C4)OC)CC5=CC=CC=C5)CS(=O)(=O)N(C6CCCCC6)C7CCCCC7)C
InChI: InChI=1S/C41H56N2O6S/c1-39(2)32-23-24-40(39,29-50(46,47)43(33-15-9-5-10-16-33)34-17-11-6-12-18-34)36(25-32)49-38(45)41(26-30-13-7-4-8-14-30)27-37(44)42(41)28-31-19-21-35(48-3)22-20-31/h4,7-8,13-14,19-22,32-34,36H,5-6,9-12,15-18,23-29H2,1-3H3/t32-,36-,40-,41+/m0/s1
SMILES: CC1=CC=C(C=C1)[S@](=O)C2=CC(=O)[C@H]3[C@@H](C2=O)[C@H](C=C4[C@H]3C5=C(CC4)C=CC=C5C(C)(C)C)OC(=O)C
InChI: InChI=1S/C31H32O5S/c1-17-9-13-21(14-10-17)37(35)25-16-23(33)28-27-20(15-24(36-18(2)32)29(28)30(25)34)12-11-19-7-6-8-22(26(19)27)31(3,4)5/h6-10,13-16,24,27-29H,11-12H2,1-5H3/t24-,27-,28+,29-,37-/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)OCC=C)CN5CCN(CC5)CC6=CC=CC=C6
InChI: InChI=1S/C41H47N3O5/c1-3-23-47-41(46)42-26-33-11-7-12-35(24-33)36-13-8-14-37(25-36)40-48-38(30(2)39(49-40)34-17-15-32(29-45)16-18-34)28-44-21-19-43(20-22-44)27-31-9-5-4-6-10-31/h3-18,24-25,30,38-40,45H,1,19-23,26-29H2,2H3,(H,42,46)/t30-,38+,39+,40+/m0/s1
SMILES: CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O
InChI: InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=C(C=CC6=CC=CC=C65)O)C(=O)N(C4=O)C7=CC=C(C=C7)NC8=CC=CC=C8)Cl
InChI: InChI=1S/C37H29Cl2N3O5/c1-41-34(46)36(38)19-27-25(31(37(36,39)35(41)47)30-24-10-6-5-7-20(24)11-18-28(30)43)16-17-26-29(27)33(45)42(32(26)44)23-14-12-22(13-15-23)40-21-8-3-2-4-9-21/h2-16,18,26-27,29,31,40,43H,17,19H2,1H3/t26-,27+,29-,31+,36+,37-/m0/s1
SMILES: CC1=CC[C@H]([C@H](C1)C(=O)NC2=CC(=C(C=C2)Cl)Cl)C(=O)O
InChI: InChI=1S/C15H15Cl2NO3/c1-8-2-4-10(15(20)21)11(6-8)14(19)18-9-3-5-12(16)13(17)7-9/h2-3,5,7,10-11H,4,6H2,1H3,(H,18,19)(H,20,21)/t10-,11+/m1/s1
SMILES: CC(C)OC[C@H]([C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)O)O
InChI: InChI=1S/C12H22O6/c1-6(2)15-5-7(13)9-8(14)10-11(16-9)18-12(3,4)17-10/h6-11,13-14H,5H2,1-4H3/t7-,8+,9-,10-,11-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@]4([C@@]3(CCC=CC4=O)C)C)C
InChI: InChI=1S/C22H32O3/c1-14(23)25-19-9-8-16-15-13-22(4)18(24)7-5-6-11-21(22,3)17(15)10-12-20(16,19)2/h5,7,15-17,19H,6,8-13H2,1-4H3/t15-,16-,17-,19-,20-,21+,22+/m0/s1
SMILES: C#CCCCON=C1C[C@H]([C@H]([C@H]2[C@H]1CC[C@@H]3[C@H]2C(=O)N(C3=O)C[C@@H]4CCCO4)O)O
InChI: InChI=1S/C22H30N2O6/c1-2-3-4-10-30-23-16-11-17(25)20(26)18-14(16)7-8-15-19(18)22(28)24(21(15)27)12-13-6-5-9-29-13/h1,13-15,17-20,25-26H,3-12H2/t13-,14-,15+,17+,18-,19+,20+/m0/s1
SMILES: C/C=C/[C@@H]1[C@H]2CO[C@@]3([C@H]2C=C([C@H]1C3=O)C)OC
InChI: InChI=1S/C14H18O3/c1-4-5-9-10-7-17-14(16-3)11(10)6-8(2)12(9)13(14)15/h4-6,9-12H,7H2,1-3H3/b5-4+/t9-,10-,11+,12-,14-/m1/s1
SMILES: C/C=C/[C@H]1[C@H]([C@@H](C[C@H](O1)[C@@H](C=C)O[Si](C)(C)C(C)(C)C)O)C
InChI: InChI=1S/C18H34O3Si/c1-9-11-16-13(3)14(19)12-17(20-16)15(10-2)21-22(7,8)18(4,5)6/h9-11,13-17,19H,2,12H2,1,3-8H3/b11-9+/t13-,14+,15+,16-,17-/m0/s1
SMILES: CN1CCC[C@@H]2[C@H]1CCC3=C2C=CC=N3.C(=C/C(=O)O)\C(=O)O
InChI: InChI=1S/C13H18N2.C4H4O4/c1-15-9-3-5-11-10-4-2-8-14-12(10)6-7-13(11)15;5-3(6)1-2-4(7)8/h2,4,8,11,13H,3,5-7,9H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t11-,13+;/m0./s1
SMILES: CC(=O)OC[C@@]1([C@@H](CC[C@]2(C1CCC(=C)[C@@H]2CC(C3=CCOC3=O)N4CCN(CC4)C)C)OC(=O)C)C
InChI: InChI=1S/C29H44N2O6/c1-19-7-8-25-28(4,11-9-26(37-21(3)33)29(25,5)18-36-20(2)32)23(19)17-24(22-10-16-35-27(22)34)31-14-12-30(6)13-15-31/h10,23-26H,1,7-9,11-18H2,2-6H3/t23-,24?,25?,26+,28+,29-/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@H]3[C@@H]([C@H](O2)N4[C@H](N(C(=O)O4)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=C(C=C6)[N+](=O)[O-])OC(O3)(C)C)C
InChI: InChI=1S/C26H28N4O11/c1-25(2)36-13-18(38-25)19-20-21(40-26(3,4)39-20)23(37-19)28-22(14-5-7-16(8-6-14)29(32)33)27(24(31)41-28)15-9-11-17(12-10-15)30(34)35/h5-12,18-23H,13H2,1-4H3/t18-,19-,20+,21+,22+,23+/m1/s1
SMILES: CCCCC1=C2[C@@H]3[C@@H](CC[C@@H]3[NH+]=C(N2)N)C[C@@H]1C.[N+](=O)([O-])[O-]
InChI: InChI=1S/C15H25N3.NO3/c1-3-4-5-11-9(2)8-10-6-7-12-13(10)14(11)18-15(16)17-12;2-1(3)4/h9-10,12-13H,3-8H2,1-2H3,(H3,16,17,18);/q;-1/p+1/t9-,10-,12-,13+;/m0./s1
SMILES: CCCCOC(=O)[C@H]([C@H]1[C@@H]([C@@]([C@H]([C@@H](N1O)C2=C(C=C(C=C2)OC)OC)O)(CO)O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)N
InChI: InChI=1S/C29H41N3O11/c1-4-5-12-43-28(38)22(31-27(37)20(30)13-16-6-8-17(34)9-7-16)24-26(36)29(39,15-33)25(35)23(32(24)40)19-11-10-18(41-2)14-21(19)42-3/h6-11,14,20,22-26,33-36,39-40H,4-5,12-13,15,30H2,1-3H3,(H,31,37)/t20-,22-,23-,24-,25-,26-,29-/m0/s1
SMILES: CC1=CC(=NC(=N1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OC)CO)C
InChI: InChI=1S/C13H20N2O6/c1-6-4-7(2)15-13(14-6)21-11-8(5-16)20-12(19-3)10(18)9(11)17/h4,8-12,16-18H,5H2,1-3H3/t8-,9-,10-,11-,12+/m1/s1
SMILES: C/C=C/[C@@H]1CN2[C@H]([C@@H]1O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)CCC2=O
InChI: InChI=1S/C28H29NO2Si/c1-2-12-22-21-29-26(19-20-27(29)30)28(22)31-32(23-13-6-3-7-14-23,24-15-8-4-9-16-24)25-17-10-5-11-18-25/h2-18,22,26,28H,19-21H2,1H3/b12-2+/t22-,26+,28-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]([C@H](O2)CP(=O)(OC)OC)O
InChI: InChI=1S/C12H19N2O7P/c1-7-5-14(12(17)13-11(7)16)10-4-8(15)9(21-10)6-22(18,19-2)20-3/h5,8-10,15H,4,6H2,1-3H3,(H,13,16,17)/t8-,9-,10-/m1/s1
SMILES: CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC(=CC=C2)N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C25H23NO5/c1-15-10-11-16(2)21(12-15)22(27)14-31-25(30)17-6-5-7-18(13-17)26-23(28)19-8-3-4-9-20(19)24(26)29/h3-7,10-13,19-20H,8-9,14H2,1-2H3/t19-,20+
SMILES: C[C@@]1(CN([C@@H](C[C@]12CO2)C3=CC=CC=C3)CC4=CC=CC=C4)O
InChI: InChI=1S/C20H23NO2/c1-19(22)14-21(13-16-8-4-2-5-9-16)18(12-20(19)15-23-20)17-10-6-3-7-11-17/h2-11,18,22H,12-15H2,1H3/t18-,19-,20-/m0/s1
SMILES: C[C@@H]1CCC2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)O)C)C)C2[C@H]1C)C)C(=O)O
InChI: InChI=1S/C30H44O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,16-18,21-23,31H,9-15H2,1-7H3,(H,33,34)/t17-,18+,21+,22-,23?,27+,28-,29-,30?/m1/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)OC(=O)CCC(=O)OC)C)O)F)C
InChI: InChI=1S/C27H34ClFO7/c1-15-11-19-18-6-5-16-12-17(30)9-10-24(16,2)26(18,29)20(31)13-25(19,3)27(15,21(32)14-28)36-23(34)8-7-22(33)35-4/h9-10,12,15,18-20,31H,5-8,11,13-14H2,1-4H3/t15-,18+,19+,20+,24+,25+,26+,27+/m1/s1
SMILES: C[C@@H]1C[C@@H]2[C@@H]([C@H](C(=O)O2)C)[C@@H]([C@]3([C@H]1CCC3=O)C)O
InChI: InChI=1S/C15H22O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h7-10,12-13,17H,4-6H2,1-3H3/t7-,8-,9+,10-,12-,13+,15+/m1/s1
SMILES: CC1(O[C@H]2C=C(C(=O)[C@]2(O1)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)I)C
InChI: InChI=1S/C28H25IO4/c1-26(2)32-24-18-23(29)25(30)27(24,33-26)19-31-28(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-18,24H,19H2,1-2H3/t24-,27-/m0/s1
SMILES: C[C@@]12[C@@H](C3C4=CC=CC=C4C1C5=CC=CC=C35)C(=O)N(C2=O)C6=CC=CC=C6OC(=O)C7=CC=CO7
InChI: InChI=1S/C30H21NO5/c1-30-25-19-11-4-2-9-17(19)24(18-10-3-5-12-20(18)25)26(30)27(32)31(29(30)34)21-13-6-7-14-22(21)36-28(33)23-15-8-16-35-23/h2-16,24-26H,1H3/t24?,25?,26-,30-/m0/s1
SMILES: C[C@H]1C=C/C(=C/[C@H](C)C=O)/[C@@H]([C@H]1CC[C@@H]2C[C@@H](OC(O2)(C)C)CCO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C(=O)OC
InChI: InChI=1S/C39H54O6Si/c1-28(27-40)25-30-20-19-29(2)35(36(30)37(41)42-8)22-21-31-26-32(45-39(6,7)44-31)23-24-43-46(38(3,4)5,33-15-11-9-12-16-33)34-17-13-10-14-18-34/h9-20,25,27-29,31-32,35-36H,21-24,26H2,1-8H3/b30-25-/t28-,29-,31+,32-,35-,36-/m0/s1
SMILES: CC1(CC(CC([NH2+]1)(C)C)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C
InChI: InChI=1S/C17H30N2O3/c1-16(2)9-11(10-17(3,4)19-16)18-14(20)12-7-5-6-8-13(12)15(21)22/h11-13,19H,5-10H2,1-4H3,(H,18,20)(H,21,22)/t12-,13+/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC=C5C(=O)O
InChI: InChI=1S/C23H18N2O5/c26-20(24-17-4-2-1-3-16(17)23(29)30)12-7-9-15(10-8-12)25-21(27)18-13-5-6-14(11-13)19(18)22(25)28/h1-10,13-14,18-19H,11H2,(H,24,26)(H,29,30)/t13-,14+,18-,19+
SMILES: C=CC[C@@H]1CC(C[C@H]1CC=C)(COC(=O)NC2=CC=CC=C2)COC(=O)NC3=CC=CC=C3
InChI: InChI=1S/C27H32N2O4/c1-3-11-21-17-27(18-22(21)12-4-2,19-32-25(30)28-23-13-7-5-8-14-23)20-33-26(31)29-24-15-9-6-10-16-24/h3-10,13-16,21-22H,1-2,11-12,17-20H2,(H,28,30)(H,29,31)/t21-,22-/m1/s1
SMILES: CCOC(=O)[C@@]12C[C@H]3CCC[C@]3(O1)N(C2=O)CC4=CC(=C(C=C4)OC)OC
InChI: InChI=1S/C20H25NO6/c1-4-26-18(23)19-11-14-6-5-9-20(14,27-19)21(17(19)22)12-13-7-8-15(24-2)16(10-13)25-3/h7-8,10,14H,4-6,9,11-12H2,1-3H3/t14-,19+,20-/m1/s1
SMILES: COC1=CC2=C(C=C1)O[C@@H]([C@H](C2=NOC[C@H](COCC3=CC=CO3)O)O)C4=CC(=CC=C4)OC
InChI: InChI=1S/C25H27NO8/c1-29-18-6-3-5-16(11-18)25-24(28)23(21-12-19(30-2)8-9-22(21)34-25)26-33-14-17(27)13-31-15-20-7-4-10-32-20/h3-12,17,24-25,27-28H,13-15H2,1-2H3/t17-,24-,25+/m0/s1
SMILES: CC(C)(C)OC(=O)N1C[C@@H]([C@@H]([C@H](C1)COCC[Si](C)(C)C)O)CO
InChI: InChI=1S/C17H35NO5Si/c1-17(2,3)23-16(21)18-9-13(11-19)15(20)14(10-18)12-22-7-8-24(4,5)6/h13-15,19-20H,7-12H2,1-6H3/t13-,14-,15+/m1/s1
SMILES: CC(C)[C@H]1[C@@H]([C@@H]2CC[C@H]3[C@@]2([C@@H]([C@@H]1O)N(C3)C)C)C(=O)OC
InChI: InChI=1S/C17H29NO3/c1-9(2)12-13(16(20)21-5)11-7-6-10-8-18(4)15(14(12)19)17(10,11)3/h9-15,19H,6-8H2,1-5H3/t10-,11+,12+,13-,14-,15-,17+/m1/s1
SMILES: C[C@@H]1[C@H](CCO[C@H]1[C@@H](CO)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI: InChI=1S/C23H27NO5/c1-14-20(10-11-28-22(14)21(26)12-25)24-23(27)29-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,14,19-22,25-26H,10-13H2,1H3,(H,24,27)/t14-,20+,21-,22-/m1/s1
SMILES: CC1=CC2=C(C=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)CN4C(=O)[C@@H]5CCCC[C@H]5C4=O)(C)C
InChI: InChI=1S/C29H30N2O7S3/c1-14-10-11-17-18(12-14)31(19(32)13-30-24(33)15-8-6-7-9-16(15)25(30)34)29(2,3)23(39)20(17)28-40-21(26(35)37-4)22(41-28)27(36)38-5/h10-12,15-16H,6-9,13H2,1-5H3/t15-,16-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1C[C@@H]2CCN1C[C@@]2(C#CC3=CC=CC=C3)O
InChI: InChI=1S/C22H33NO2Si/c1-21(2,3)26(4,5)25-16-20-15-19-12-14-23(20)17-22(19,24)13-11-18-9-7-6-8-10-18/h6-10,19-20,24H,12,14-17H2,1-5H3/t19-,20+,22+/m0/s1
SMILES: CC(C)NC(=O)OC/C=C\C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\O)/C3=CSC(=N3)N)SC1)C(=O)OCOC(=O)C(C)(C)C
InChI: InChI=1S/C25H32N6O9S2/c1-12(2)27-24(36)38-8-6-7-13-9-41-20-16(29-18(32)15(30-37)14-10-42-23(26)28-14)19(33)31(20)17(13)21(34)39-11-40-22(35)25(3,4)5/h6-7,10,12,16,20,37H,8-9,11H2,1-5H3,(H2,26,28)(H,27,36)(H,29,32)/b7-6-,30-15-/t16-,20-/m1/s1
SMILES: CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC(=O)N3CCC[C@H]4[C@H]3CCCC4
InChI: InChI=1S/C22H30N2O4S/c1-14(25)23-21-20(16-9-3-5-11-18(16)29-21)22(27)28-13-19(26)24-12-6-8-15-7-2-4-10-17(15)24/h15,17H,2-13H2,1H3,(H,23,25)/t15-,17+/m0/s1
SMILES: COC1=CC=C(C=C1)C2=CN(N=N2)C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)NCC5=CC6=C(C=C5)OCO6
InChI: InChI=1S/C26H29N5O4/c1-33-21-5-3-18(4-6-21)23-15-31(29-28-23)13-20-11-19-8-9-30(20)14-22(19)26(32)27-12-17-2-7-24-25(10-17)35-16-34-24/h2-7,10,15,19-20,22H,8-9,11-14,16H2,1H3,(H,27,32)/t19-,20+,22-/m0/s1
SMILES: C[C@@H]1C=C([C@@H]2[C@H]([C@]1(CO[C@@H]2C3=CC=C(C=C3)OC)COC(=O)NC4=CC=CC=C4)C)C
InChI: InChI=1S/C26H31NO4/c1-17-14-18(2)26(16-31-25(28)27-21-8-6-5-7-9-21)15-30-24(23(17)19(26)3)20-10-12-22(29-4)13-11-20/h5-14,18-19,23-24H,15-16H2,1-4H3,(H,27,28)/t18-,19-,23-,24-,26-/m1/s1
SMILES: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NC(=O)NC4=CC=C(C=C4)S(=O)(=O)N(CC)CC)O)O
InChI: InChI=1S/C23H30N8O7S/c1-4-24-21(34)18-16(32)17(33)22(38-18)31-12-27-15-19(25-11-26-20(15)31)29-23(35)28-13-7-9-14(10-8-13)39(36,37)30(5-2)6-3/h7-12,16-18,22,32-33H,4-6H2,1-3H3,(H,24,34)(H2,25,26,28,29,35)/t16-,17+,18-,22+/m0/s1
SMILES: C[C@@H]1C=C(C[C@@H]([C@H]1C(=O)O)C(=O)NC2=CC=CC=C2C(=O)OC)C
InChI: InChI=1S/C18H21NO5/c1-10-8-11(2)15(17(21)22)13(9-10)16(20)19-14-7-5-4-6-12(14)18(23)24-3/h4-8,11,13,15H,9H2,1-3H3,(H,19,20)(H,21,22)/t11-,13+,15+/m1/s1
SMILES: COC1=C(C=CC(=C1)C[C@@H]2COC[C@H]2CC3=CC(=C(C=C3)O)OC)O
InChI: InChI=1S/C20H24O5/c1-23-19-9-13(3-5-17(19)21)7-15-11-25-12-16(15)8-14-4-6-18(22)20(10-14)24-2/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3/t15-,16-/m1/s1
SMILES: C1C=C[C@@H]2[C@@H]1[C@H](NC3=C2C=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)F
InChI: InChI=1S/C19H15F4N/c20-13-7-4-11(5-8-13)18-15-3-1-2-14(15)16-10-12(19(21,22)23)6-9-17(16)24-18/h1-2,4-10,14-15,18,24H,3H2/t14-,15-,18-/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)NC(=O)[C@H](C)OC(=O)C)CN4CC[C@@H](C4)O
InChI: InChI=1S/C28H36N2O7/c1-17-25(15-30-13-12-24(33)14-30)36-28(37-26(17)21-6-4-20(16-31)5-7-21)22-8-10-23(11-9-22)29-27(34)18(2)35-19(3)32/h4-11,17-18,24-26,28,31,33H,12-16H2,1-3H3,(H,29,34)/t17-,18-,24-,25+,26+,28+/m0/s1
SMILES: CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CN3C4=CC=CC=C4OC3=O)SC1)C(=O)O
InChI: InChI=1S/C17H15N3O6S/c1-8-7-27-15-12(14(22)20(15)13(8)16(23)24)18-11(21)6-19-9-4-2-3-5-10(9)26-17(19)25/h2-5,12,15H,6-7H2,1H3,(H,18,21)(H,23,24)/t12-,15-/m1/s1
SMILES: C[C@@H]1CO[C@@]2(O1)[C@@]3([C@@]([C@@]3(C(=N2)N)C#N)(C)CC4=CC=CC=C4)C#N
InChI: InChI=1S/C18H18N4O2/c1-12-9-23-18(24-12)17(11-20)15(2,8-13-6-4-3-5-7-13)16(17,10-19)14(21)22-18/h3-7,12H,8-9H2,1-2H3,(H2,21,22)/t12-,15+,16+,17-,18-/m1/s1
SMILES: C/C(=C\C1=C(C=C(C=C1)O[C@H]2[C@H]([C@@H]([C@H](O2)C3(CC(SN3C)C4=CC(=CC=C4)Cl)C)O)O)O)/C(=O)NC5=C(C6=C(C=C5O)OCO6)O
InChI: InChI=1S/C32H33ClN2O10S/c1-15(30(41)34-24-21(37)12-22-28(25(24)38)43-14-42-22)9-16-7-8-19(11-20(16)36)44-31-27(40)26(39)29(45-31)32(2)13-23(46-35(32)3)17-5-4-6-18(33)10-17/h4-12,23,26-27,29,31,36-40H,13-14H2,1-3H3,(H,34,41)/b15-9+/t23?,26-,27-,29-,31+,32?/m0/s1
SMILES: C[C@@]12[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3[C@@](C15CCCC5)(N=N2)C
InChI: InChI=1S/C16H24N2/c1-14-12-10-5-6-11(9-10)13(12)15(2,18-17-14)16(14)7-3-4-8-16/h10-13H,3-9H2,1-2H3/t10-,11+,12-,13+,14-,15+
SMILES: C[C@@]12CC[C@H]([C@@]([C@@H]1CC[C@H]([C@H]2CC(=O)N3CC[C@H](C3)O)O)(C)CO)OC(=O)NC4=CC=C(C=C4)OC
InChI: InChI=1S/C27H40N2O7/c1-26-12-10-23(36-25(34)28-17-4-6-19(35-3)7-5-17)27(2,16-30)22(26)9-8-21(32)20(26)14-24(33)29-13-11-18(31)15-29/h4-7,18,20-23,30-32H,8-16H2,1-3H3,(H,28,34)/t18-,20-,21-,22-,23-,26+,27+/m1/s1
SMILES: CCCC/C=C/C=C/CCC/C=C/C(C([C@@H]1C[C@H]2[C@@H](CN1C(=O)OC(C)(C)C)N(C(O2)(C)C)C(=O)OC(C)(C)C)S(=O)(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C46H64N2O9S/c1-10-11-12-13-14-15-16-17-18-19-26-31-38(54-41(49)34-27-22-20-23-28-34)40(58(52,53)35-29-24-21-25-30-35)36-32-39-37(33-47(36)42(50)56-44(2,3)4)48(46(8,9)55-39)43(51)57-45(5,6)7/h13-16,20-31,36-40H,10-12,17-19,32-33H2,1-9H3/b14-13+,16-15+,31-26+/t36-,37+,38?,39-,40?/m0/s1
SMILES: C[C@@H](C1=CC=CC=C1)NC2=N[C@H]3CCCC[C@@H]3N2C(=O)C4=CC=CC=C4
InChI: InChI=1S/C22H25N3O/c1-16(17-10-4-2-5-11-17)23-22-24-19-14-8-9-15-20(19)25(22)21(26)18-12-6-3-7-13-18/h2-7,10-13,16,19-20H,8-9,14-15H2,1H3,(H,23,24)/t16-,19-,20-/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1OC(=O)C)N2C=CC3=CC=CC=C32)COS(=O)(=O)NC(=O)C4=CC=CC=C4OC(=O)C
InChI: InChI=1S/C26H26N2O11S/c1-15(29)36-21-11-7-5-9-19(21)25(32)27-40(33,34)35-14-22-23(37-16(2)30)24(38-17(3)31)26(39-22)28-13-12-18-8-4-6-10-20(18)28/h4-13,22-24,26H,14H2,1-3H3,(H,27,32)/t22-,23-,24-,26-/m1/s1
SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C=O)O)O
InChI: InChI=1S/C21H32O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h11-17,19,22,24-25H,2-10H2,1H3/t12-,13+,14-,15-,16+,17-,19+,20-,21+/m0/s1
SMILES: CC(C)([C@@H]1[C@@H](C(=O)OC2=C1C=C(C=C2)Br)C(=O)C3=CC=CC=C3)C(=O)OC
InChI: InChI=1S/C21H19BrO5/c1-21(2,20(25)26-3)17-14-11-13(22)9-10-15(14)27-19(24)16(17)18(23)12-7-5-4-6-8-12/h4-11,16-17H,1-3H3/t16-,17+/m1/s1
SMILES: C[C@@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@@H]2CC[C@H]4[C@@]3(CCCC4)C)C
InChI: InChI=1S/C25H40O3/c1-16(8-13-23(27)28-4)19-11-12-20-18-10-9-17-7-5-6-14-24(17,2)21(18)15-22(26)25(19,20)3/h16-21H,5-15H2,1-4H3/t16-,17-,18+,19+,20-,21-,24-,25+/m0/s1
SMILES: CCC1=CC(=O)OC2=C1C=CC(=C2)O[C@H](C)C(=O)N3CC[C@@]4(CCCC[C@@H]4C3)O
InChI: InChI=1S/C23H29NO5/c1-3-16-12-21(25)29-20-13-18(7-8-19(16)20)28-15(2)22(26)24-11-10-23(27)9-5-4-6-17(23)14-24/h7-8,12-13,15,17,27H,3-6,9-11,14H2,1-2H3/t15-,17-,23-/m1/s1
SMILES: CCOC(=O)N1CC[C@]2(CCCC[C@H]2[C@H]1C3=CC=C(C=C3)F)O
InChI: InChI=1S/C18H24FNO3/c1-2-23-17(21)20-12-11-18(22)10-4-3-5-15(18)16(20)13-6-8-14(19)9-7-13/h6-9,15-16,22H,2-5,10-12H2,1H3/t15-,16+,18-/m0/s1
SMILES: CCOC1=CC=CC=C1[C@H]2[C@@H](C(=O)NC(=C2C#N)SCC(=O)NC3=C(C=C(C=C3C)C)C)C(=O)OCC
InChI: InChI=1S/C28H31N3O5S/c1-6-35-21-11-9-8-10-19(21)23-20(14-29)27(31-26(33)24(23)28(34)36-7-2)37-15-22(32)30-25-17(4)12-16(3)13-18(25)5/h8-13,23-24H,6-7,15H2,1-5H3,(H,30,32)(H,31,33)/t23-,24+/m1/s1
SMILES: CCC1=CC=C(C=C1)[C@@H]2[C@@H](C(=C)NC(=O)N2)C(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C20H19ClN2O2/c1-3-13-4-6-14(7-5-13)18-17(12(2)22-20(25)23-18)19(24)15-8-10-16(21)11-9-15/h4-11,17-18H,2-3H2,1H3,(H2,22,23,25)/t17-,18-/m1/s1
SMILES: CC(=O)OC1=CC=CC=C1C2=C[C@H]([C@@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C32H58O6Si3/c1-23(33)35-25-20-18-17-19-24(25)26-21-27(37-40(13,14)31(5,6)7)29(38-41(15,16)32(8,9)10)28(36-26)22-34-39(11,12)30(2,3)4/h17-21,27-29H,22H2,1-16H3/t27-,28-,29+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]([C@@H](C2=O)CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C25H23NO5S/c1-18-12-14-21(15-13-18)32(29,30)26-23(25(28)31-17-20-10-6-3-7-11-20)22(24(26)27)16-19-8-4-2-5-9-19/h2-15,22-23H,16-17H2,1H3/t22-,23-/m0/s1
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)[N+]2=CC3=C(C4=C(C(=C3C=C2)C)NC5=CC=CC=C54)C)OC(=O)C)OC(=O)C)OC(=O)C.[Br-]
InChI: InChI=1S/C29H30N2O7.BrH/c1-14-22-13-31(12-11-20(22)15(2)25-24(14)21-9-7-8-10-23(21)30-25)29-28(38-19(6)34)27(37-18(5)33)26(16(3)35-29)36-17(4)32;/h7-13,16,26-29H,1-6H3;1H/t16-,26+,27+,28-,29-;/m1./s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C(F)F
InChI: InChI=1S/C30H50F2O/c1-19(2)9-8-10-20(3)21-14-18-30(26(31)32)23-11-12-24-27(4,5)25(33)15-16-28(24,6)22(23)13-17-29(21,30)7/h11,19-22,24-26,33H,8-10,12-18H2,1-7H3/t20-,21-,22+,24+,25+,28-,29-,30+/m1/s1
SMILES: CCC(=O)C1=C(C(=C(C=C1)F)[C@@H]2C[C@@H]2NC(=O)NC3=NC=C(C=C3)C#N)OC(=O)OCOC(=O)[C@H](C(C)C)N
InChI: InChI=1S/C26H28FN5O7/c1-4-19(33)15-6-7-17(27)21(23(15)39-26(36)38-12-37-24(34)22(29)13(2)3)16-9-18(16)31-25(35)32-20-8-5-14(10-28)11-30-20/h5-8,11,13,16,18,22H,4,9,12,29H2,1-3H3,(H2,30,31,32,35)/t16-,18+,22+/m1/s1
SMILES: CC(C)(C)OC(=O)NCCCC(=O)O[C@@H]1C=CO[C@H]2[C@H]1O[Si](OC2)(C(C)(C)C)C(C)(C)C
InChI: InChI=1S/C23H41NO7Si/c1-21(2,3)30-20(26)24-13-10-11-18(25)29-16-12-14-27-17-15-28-32(22(4,5)6,23(7,8)9)31-19(16)17/h12,14,16-17,19H,10-11,13,15H2,1-9H3,(H,24,26)/t16-,17-,19+/m1/s1
SMILES: CCC[C@@H]1[C@H](C([C@]2(C[C@@]1(NC2=O)N)C#N)(C#N)C#N)C3=CC=CC=C3
InChI: InChI=1S/C19H19N5O/c1-2-6-14-15(13-7-4-3-5-8-13)18(11-21,12-22)17(10-20)9-19(14,23)24-16(17)25/h3-5,7-8,14-15H,2,6,9,23H2,1H3,(H,24,25)/t14-,15-,17-,19+/m1/s1
SMILES: COC(=O)CCC/C=C\C[C@@H]1[C@H]([C@@H](CC1=O)C=C)/C=C/C(CCC2=C(C3=CC=CC=C3S2)Cl)O
InChI: InChI=1S/C28H33ClO4S/c1-3-19-18-24(31)22(10-6-4-5-7-13-27(32)33-2)21(19)16-14-20(30)15-17-26-28(29)23-11-8-9-12-25(23)34-26/h3-4,6,8-9,11-12,14,16,19-22,30H,1,5,7,10,13,15,17-18H2,2H3/b6-4-,16-14+/t19-,20?,21+,22-/m1/s1
SMILES: C[C@@H]1/C=C(\C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2)N3CCOCC3)O)C(=O)O[C@H]1C)O)O)/F
InChI: InChI=1S/C23H28FNO7/c1-13-10-17(24)21(28)22(29)18(26)5-3-4-15-11-16(25-6-8-31-9-7-25)12-19(27)20(15)23(30)32-14(13)2/h3-4,10-14,18,22,26-27,29H,5-9H2,1-2H3/b4-3+,17-10+/t13-,14+,18+,22+/m1/s1
SMILES: CC(C)[C@@H]1[C@@H]2CC=C[C@@H]2C3=C(N1)C(=CC=C3)C(=O)O
InChI: InChI=1S/C16H19NO2/c1-9(2)14-11-6-3-5-10(11)12-7-4-8-13(16(18)19)15(12)17-14/h3-5,7-11,14,17H,6H2,1-2H3,(H,18,19)/t10-,11+,14+/m0/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@H]3C[C@@H]2[C@H]4[C@@H]3[C@]5(C=C(P4(=S)[C@H]6[C@@H]5[C@H]7C[C@@H]6[C@@H]8[C@H]7C=CC8)C9=CC=CC=C9)C1=CC=CC=C1
InChI: InChI=1S/C35H35PS/c37-36-30(20-9-3-1-4-10-20)19-35(21-11-5-2-6-12-21,31-26-17-28(33(31)36)24-15-7-13-22(24)26)32-27-18-29(34(32)36)25-16-8-14-23(25)27/h1-13,16,19,22-29,31-34H,14-15,17-18H2/t22-,23+,24+,25-,26+,27-,28-,29+,31+,32-,33-,34+,35-,36?/m1/s1
SMILES: CN(CC#CC1=CC2=C(C=C1)N(C(=O)[C@]23[C@@H]([C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]3C5=CC=CC=C5OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N8CCN(CC8)C9=NC=CC=N9)C(=O)OCCOC)CC1=CC=CC=C1
InChI: InChI=1S/C58H57N7O9/c1-61(39-41-16-6-3-7-17-41)29-14-18-40-25-26-46-45(38-40)58(55(69)64(46)57(70)73-37-36-71-2)48(53(67)62-30-32-63(33-31-62)56-59-27-15-28-60-56)50-54(68)74-51(43-21-10-5-11-22-43)49(42-19-8-4-9-20-42)65(50)52(58)44-23-12-13-24-47(44)72-35-34-66/h3-13,15-17,19-28,38,48-52,66H,29-37,39H2,1-2H3/t48-,49-,50-,51+,52+,58-/m0/s1
SMILES: CC1([C@H]2C[C@H]([C@]34[C@H]([C@]25CC[C@]1(OC5)O)CC[C@H]([C@H]3O)C(=C)C4=O)O)C
InChI: InChI=1S/C20H28O5/c1-10-11-4-5-12-18-6-7-19(24,25-9-18)17(2,3)13(18)8-14(21)20(12,15(10)22)16(11)23/h11-14,16,21,23-24H,1,4-9H2,2-3H3/t11-,12-,13+,14+,16+,18+,19+,20-/m0/s1
SMILES: C(CCCCC(=O)CCCCO)CCC[C@@H]1[C@H]([C@@H]([C@H](N1)CO)O)O
InChI: InChI=1S/C18H35NO5/c20-12-8-7-10-14(22)9-5-3-1-2-4-6-11-15-17(23)18(24)16(13-21)19-15/h15-21,23-24H,1-13H2/t15-,16-,17-,18-/m1/s1
SMILES: CCN1C(=O)[C@H]2[C@@H](N(O[C@@H]2C1=O)C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C19H16Cl2N2O3/c1-2-22-18(24)15-16(13-9-8-11(20)10-14(13)21)23(26-17(15)19(22)25)12-6-4-3-5-7-12/h3-10,15-17H,2H2,1H3/t15-,16-,17-/m0/s1
SMILES: C([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]2O)N)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)N)O)CO)CO)N)O)O)O
InChI: InChI=1S/C18H35N3O13/c19-7-12(27)14(5(2-23)30-16(7)29)33-18-9(21)13(28)15(6(3-24)32-18)34-17-8(20)11(26)10(25)4(1-22)31-17/h4-18,22-29H,1-3,19-21H2/t4-,5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17+,18+/m1/s1
SMILES: CCS[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)C)NC(=O)[C@@H](CCOC(=O)C)OC(=O)C)OCC2=CC=CC=C2)OC(=O)CCl
InChI: InChI=1S/C25H34ClNO9S/c1-5-37-25-23(36-20(30)13-26)22(33-14-18-9-7-6-8-10-18)21(15(2)34-25)27-24(31)19(35-17(4)29)11-12-32-16(3)28/h6-10,15,19,21-23,25H,5,11-14H2,1-4H3,(H,27,31)/t15-,19-,21-,22+,23+,25-/m1/s1
SMILES: CC(C)(C(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC)OC(=O)C(C)(C)N)OC(=O)C(C)(C)N)OC(=O)C(C)(C)N)N
InChI: InChI=1S/C23H42N4O10/c1-20(2,24)16(28)33-10-11-12(35-17(29)21(3,4)25)13(36-18(30)22(5,6)26)14(15(32-9)34-11)37-19(31)23(7,8)27/h11-15H,10,24-27H2,1-9H3/t11-,12+,13+,14-,15-/m1/s1
SMILES: C[C@@]1([C@H](C=CC2=CC=CC=C21)N3CCC(CC3)O)C4=N[C@H](CO4)C(C)(C)C
InChI: InChI=1S/C23H32N2O2/c1-22(2,3)19-15-27-21(24-19)23(4)18-8-6-5-7-16(18)9-10-20(23)25-13-11-17(26)12-14-25/h5-10,17,19-20,26H,11-15H2,1-4H3/t19-,20+,23-/m1/s1
SMILES: CCCCC(CCCC)OC[C@]1([C@@H]2C[C@@H](C2(C)C)C[C@@H]1O)O
InChI: InChI=1S/C19H36O3/c1-5-7-9-15(10-8-6-2)22-13-19(21)16-11-14(12-17(19)20)18(16,3)4/h14-17,20-21H,5-13H2,1-4H3/t14-,16-,17+,19-/m1/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.OS(=O)(=O)O
InChI: InChI=1S/C24H40O4.H2O4S/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26;1-5(2,3)4/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28);(H2,1,2,3,4)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-;/m1./s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H]4[C@]([C@H]3[C@H]5[C@@](C2(C)C)(CC1=O)OC(=O)O5)(CO4)O)C)O)O
InChI: InChI=1S/C21H28O8/c1-9-10(22)7-21-16(28-17(25)29-21)14-19(4,6-5-11-20(14,26)8-27-11)15(24)13(23)12(9)18(21,2)3/h11,13-16,23-24,26H,5-8H2,1-4H3/t11-,13-,14+,15+,16+,19-,20+,21-/m1/s1