EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N
InChI: InChI=1S/C18H24N4O5/c1-7(2)4-8-12(19)15(24)11-9(6-27-17(20)25)18(26-3)16-10(21-16)5-22(18)13(11)14(8)23/h7,9-10,16,21H,4-6,19H2,1-3H3,(H2,20,25)/t9-,10+,16+,18-/m1/s1
SMILES: C[C@@H](C(=O)OCC(=O)NC1=C(C=C(C=C1)OC)OC)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C21H24N2O7/c1-12(23-19(25)14-6-4-5-7-15(14)20(23)26)21(27)30-11-18(24)22-16-9-8-13(28-2)10-17(16)29-3/h4-5,8-10,12,14-15H,6-7,11H2,1-3H3,(H,22,24)/t12-,14-,15+/m0/s1
SMILES: CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C2)C3=CN=C(C=C3)Cl
InChI: InChI=1S/C16H21ClN2O2/c1-16(2,3)21-15(20)19-11-5-6-13(19)12(8-11)10-4-7-14(17)18-9-10/h4,7,9,11-13H,5-6,8H2,1-3H3/t11-,12+,13+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCC(C4)OC5C[C@H]([C@@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)C)C
InChI: InChI=1S/C39H64O8/c1-23(2)10-9-11-24(3)31-14-15-32-30-13-12-28-20-29(16-18-38(28,7)33(30)17-19-39(31,32)8)46-36-21-34(44-26(5)41)37(45-27(6)42)35(47-36)22-43-25(4)40/h23-24,28-37H,9-22H2,1-8H3/t24-,28?,29?,30+,31-,32+,33+,34-,35-,36?,37+,38+,39-/m1/s1
SMILES: C=CCC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)CCCC(=O)O)O
InChI: InChI=1S/C39H33Cl2F3N4O7/c1-2-5-19-6-3-7-25(32(19)51)31-23-13-14-24-30(36(54)47(34(24)52)15-4-8-29(49)50)26(23)17-27-35(53)48(37(55)38(27,31)20-9-11-22(40)12-10-20)46-33-28(41)16-21(18-45-33)39(42,43)44/h2-3,6-7,9-13,16,18,24,26-27,30-31,51H,1,4-5,8,14-15,17H2,(H,45,46)(H,49,50)/t24-,26+,27-,30-,31+,38+/m0/s1
SMILES: CCC[C@@H](C(=O)N1CC[C@@H]([C@H]1C(=O)N[C@@H](CC2=CSC3=CC=CC=C32)C(=O)N[C@@H](CCC(=O)O)C(=O)NC(C)(C)C)C)NC(=O)[C@H](CC4=CC=C(C=C4)CS(=O)(=O)O)NC(=O)C5=C(C=CC6=CC=CC=C65)OCC
InChI: InChI=1S/C54H66N6O12S2/c1-7-13-40(56-48(63)41(28-33-18-20-34(21-19-33)31-74(69,70)71)57-51(66)46-38-16-10-9-14-35(38)22-24-43(46)72-8-2)53(68)60-27-26-32(3)47(60)52(67)58-42(29-36-30-73-44-17-12-11-15-37(36)44)49(64)55-39(23-25-45(61)62)50(65)59-54(4,5)6/h9-12,14-22,24,30,32,39-42,47H,7-8,13,23,25-29,31H2,1-6H3,(H,55,64)(H,56,63)(H,57,66)(H,58,67)(H,59,65)(H,61,62)(H,69,70,71)/t32-,39-,40-,41-,42-,47-/m0/s1
SMILES: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(C(=O)OC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)C
InChI: InChI=1S/C27H42O6/c1-16(6-11-24(29)31-5)21-9-10-22-20-8-7-18-14-19(33-17(2)28)12-13-26(18,3)23(20)15-32-25(30)27(21,22)4/h16,18-23H,6-15H2,1-5H3/t16-,18-,19-,20+,21-,22+,23+,26+,27-/m1/s1
SMILES: CCC1=CC=CC=C1NC(=O)[C@@H]2[C@@H]3C[C@@H]4[C@H]2C(=O)O[C@H]4C3
InChI: InChI=1S/C17H19NO3/c1-2-9-5-3-4-6-12(9)18-16(19)14-10-7-11-13(8-10)21-17(20)15(11)14/h3-6,10-11,13-15H,2,7-8H2,1H3,(H,18,19)/t10-,11+,13+,14-,15-/m1/s1
SMILES: C1C[C@@]2([C@H](CN=N2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C41
InChI: InChI=1S/C18H15N3O3/c22-17-15-7-2-1-4-12(15)8-9-18(17)16(11-19-20-18)13-5-3-6-14(10-13)21(23)24/h1-7,10,16H,8-9,11H2/t16-,18-/m1/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C=C(C=C5)F)O)(C(=O)C)O)N)O
InChI: InChI=1S/C26H26FNO9/c1-9-21(30)15(28)6-17(36-9)37-16-8-26(35,10(2)29)7-14-18(16)25(34)20-19(24(14)33)22(31)12-4-3-11(27)5-13(12)23(20)32/h3-5,9,15-17,21,30,33-35H,6-8,28H2,1-2H3/t9-,15-,16-,17-,21+,26-/m0/s1
SMILES: CCOC(=O)[C@]1([C@H]2[C@@H]([C@@H](N1)C3=CC=CO3)C(=O)N(C2=O)C4=CC=CC=C4)C
InChI: InChI=1S/C20H20N2O5/c1-3-26-19(25)20(2)15-14(16(21-20)13-10-7-11-27-13)17(23)22(18(15)24)12-8-5-4-6-9-12/h4-11,14-16,21H,3H2,1-2H3/t14-,15-,16-,20+/m0/s1
SMILES: CCOC(=O)/C=C/C[C@H]1CC(C[C@@H]1C=C)(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1S/C25H28O6S2/c1-3-20-18-25(32(27,28)22-13-7-5-8-14-22,33(29,30)23-15-9-6-10-16-23)19-21(20)12-11-17-24(26)31-4-2/h3,5-11,13-17,20-21H,1,4,12,18-19H2,2H3/b17-11+/t20-,21-/m0/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)[C@H]3CC4=CC=CC=C4O3)O
InChI: InChI=1S/C17H17NO5/c1-8(19)14-11-7-10(15(17(21)22)18(11)16(14)20)13-6-9-4-2-3-5-12(9)23-13/h2-5,8,11,13-14,19H,6-7H2,1H3,(H,21,22)/t8-,11-,13-,14-/m1/s1
SMILES: CC(C)(C)OC(=O)N(C)[C@@H]1C[C@]23CC[C@@H]([C@H](C2)[C@@H]([C@H](N3C1)CC4=CC=C(C=C4)OC)O)O
InChI: InChI=1S/C25H38N2O5/c1-24(2,3)32-23(30)26(4)17-13-25-11-10-21(28)19(14-25)22(29)20(27(25)15-17)12-16-6-8-18(31-5)9-7-16/h6-9,17,19-22,28-29H,10-15H2,1-5H3/t17-,19+,20-,21+,22+,25-/m1/s1
SMILES: C1C=C2[C@H](CO1)[C@H](C(C(=N)[C@@H]2C#N)(C#N)C#N)C3=CC(=CC=C3)OCC(=O)N
InChI: InChI=1S/C20H17N5O3/c21-7-15-14-4-5-27-8-16(14)18(20(10-22,11-23)19(15)25)12-2-1-3-13(6-12)28-9-17(24)26/h1-4,6,15-16,18,25H,5,8-9H2,(H2,24,26)/t15-,16+,18-/m1/s1
SMILES: C1CO[C@@H]([C@@H](N1CC2=NC=NN2)C3=CC=C(C=C3)F)O[C@H](CO)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C23H21F7N4O3/c24-17-3-1-13(2-4-17)20-21(36-6-5-34(20)10-19-31-12-32-33-19)37-18(11-35)14-7-15(22(25,26)27)9-16(8-14)23(28,29)30/h1-4,7-9,12,18,20-21,35H,5-6,10-11H2,(H,31,32,33)/t18-,20+,21-/m1/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=CC5=CC=CC=C54)O)Cl)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC(=C(C=C8)C(=O)O)O
InChI: InChI=1S/C37H21Cl2F5N2O8/c38-36-12-19-16(8-9-18-22(19)32(50)45(31(18)49)14-6-7-17(33(51)52)21(48)11-14)24(23-15-4-2-1-3-13(15)5-10-20(23)47)37(36,39)35(54)46(34(36)53)30-28(43)26(41)25(40)27(42)29(30)44/h1-8,10-11,18-19,22,24,47-48H,9,12H2,(H,51,52)/t18-,19+,22-,24+,36+,37-/m0/s1
SMILES: C=CCNC(=O)[C@H]1[C@H]2C=C[C@@H]([C@@H]1C(=O)[O-])O2
InChI: InChI=1S/C11H13NO4/c1-2-5-12-10(13)8-6-3-4-7(16-6)9(8)11(14)15/h2-4,6-9H,1,5H2,(H,12,13)(H,14,15)/p-1/t6-,7+,8+,9+/m1/s1
SMILES: CN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=CC=C(O5)CO)C6=CC=CC=C6)C7=CC(=CC=C7)Cl
InChI: InChI=1S/C32H27ClN2O6/c1-34-28(37)22-12-11-21-23(26(22)30(34)39)15-24-29(38)35(19-9-5-8-18(33)14-19)31(40)32(24,17-6-3-2-4-7-17)27(21)25-13-10-20(16-36)41-25/h2-11,13-14,22-24,26-27,36H,12,15-16H2,1H3/t22-,23+,24-,26-,27+,32+/m0/s1
SMILES: CC1=C(C(=O)N(C1=O)[C@@H]2[C@H]([C@H]3[C@@H](CO[C@H](O3)C4=CC=CC=C4)O[C@H]2O[Si](C)(C)C(C)(C)C(C)C)OC(=O)C)C
InChI: InChI=1S/C29H41NO8Si/c1-16(2)29(6,7)39(8,9)38-28-22(30-25(32)17(3)18(4)26(30)33)24(35-19(5)31)23-21(36-28)15-34-27(37-23)20-13-11-10-12-14-20/h10-14,16,21-24,27-28H,15H2,1-9H3/t21-,22-,23-,24-,27-,28+/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@H]2C(=O)N(C3=O)CNC4=CC=C(C=C4)F
InChI: InChI=1S/C16H17FN2O2/c17-11-3-5-12(6-4-11)18-8-19-15(20)13-9-1-2-10(7-9)14(13)16(19)21/h3-6,9-10,13-14,18H,1-2,7-8H2/t9-,10+,13-,14-/m0/s1
SMILES: CN(C)C1=C(C=C(C=C1[N+](=O)[O-])N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=CC=C(C7=CC=CC=C67)O)C8=CC=C(C=C8)Cl)NC9=CC=C(C=C9)F)[N+](=O)[O-]
InChI: InChI=1S/C44H34ClFN6O9/c1-48(2)39-34(51(58)59)19-26(20-35(39)52(60)61)49-40(54)31-16-15-30-32(37(31)42(49)56)21-33-41(55)50(47-25-13-11-24(46)12-14-25)43(57)44(33,22-7-9-23(45)10-8-22)38(30)29-17-18-36(53)28-6-4-3-5-27(28)29/h3-15,17-20,31-33,37-38,47,53H,16,21H2,1-2H3/t31-,32+,33-,37-,38-,44+/m0/s1
SMILES: C/C(=C\CC/C=C(/[C@@H](O)C[C@@H]1[C@@]2([C@H]([C@](CCC2)(C(=O)OC)C)CCC1=C)C)\C)/[C@H](O)C[C@@H]3[C@@]4([C@H]([C@](CCC4)(C(=O)OC)C)CCC3=C)C
InChI: InChI=1S/C42H66O6/c1-27-17-19-35-39(5,21-13-23-41(35,7)37(45)47-9)31(27)25-33(43)29(3)15-11-12-16-30(4)34(44)26-32-28(2)18-20-36-40(32,6)22-14-24-42(36,8)38(46)48-10/h15-16,31-36,43-44H,1-2,11-14,17-26H2,3-10H3/b29-15+,30-16+/t31-,32-,33-,34+,35+,36+,39+,40+,41-,42-/m0/s1
SMILES: CC(=O)N[C@@]1(CC[C@H]1OCC2=CC=CC=C2)COCC3=CC=CC=C3
InChI: InChI=1S/C21H25NO3/c1-17(23)22-21(16-24-14-18-8-4-2-5-9-18)13-12-20(21)25-15-19-10-6-3-7-11-19/h2-11,20H,12-16H2,1H3,(H,22,23)/t20-,21+/m1/s1
SMILES: C[C@H]1[C@@H](O1)[C@H]2[C@H](O2)[S@@](=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C12H14O3S/c1-7-3-5-9(6-4-7)16(13)12-11(15-12)10-8(2)14-10/h3-6,8,10-12H,1-2H3/t8-,10+,11-,12+,16-/m0/s1
SMILES: C[C@H]1C[C@H]1C(=O)OCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N
InChI: InChI=1S/C15H20N2O5S/c1-10-8-13(10)15(19)22-9-14(18)17-7-6-11-2-4-12(5-3-11)23(16,20)21/h2-5,10,13H,6-9H2,1H3,(H,17,18)(H2,16,20,21)/t10-,13+/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@@H]([C@@H]3[C@](O2)(NC(=O)O3)C(=O)NC4=CC=CC=C4)O)C
InChI: InChI=1S/C17H20N2O7/c1-16(2)23-8-10(25-16)12-11(20)13-17(26-12,19-15(22)24-13)14(21)18-9-6-4-3-5-7-9/h3-7,10-13,20H,8H2,1-2H3,(H,18,21)(H,19,22)/t10-,11+,12-,13-,17-/m1/s1
SMILES: C=CCC1=NN=NN1[C@H]2CO[C@H]3[C@@H]2OC[C@H]3OC(=O)NCC4=CC=CC=C4
InChI: InChI=1S/C18H21N5O4/c1-2-6-15-20-21-22-23(15)13-10-25-17-14(11-26-16(13)17)27-18(24)19-9-12-7-4-3-5-8-12/h2-5,7-8,13-14,16-17H,1,6,9-11H2,(H,19,24)/t13-,14+,16+,17+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)NC(=O)COC(=O)C2=CC(=C(C=C2)C)OC
InChI: InChI=1S/C19H27NO4/c1-12-6-5-7-16(14(12)3)20-18(21)11-24-19(22)15-9-8-13(2)17(10-15)23-4/h8-10,12,14,16H,5-7,11H2,1-4H3,(H,20,21)/t12-,14-,16-/m0/s1
SMILES: CC(C)C1=CC=C(C=C1)C2O[C@@H]([C@H](O2)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C24H24O2/c1-17(2)18-13-15-21(16-14-18)24-25-22(19-9-5-3-6-10-19)23(26-24)20-11-7-4-8-12-20/h3-17,22-24H,1-2H3/t22-,23-/m1/s1
SMILES: CCC(C)N(CCNC(=O)CCC(=O)NC1=NC(=O)N(C=C1)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F)C(=O)C3=CC4=CC=CC=C4C(=N3)C5=CC=CC=C5Cl
InChI: InChI=1S/C35H37ClF2N6O7/c1-3-20(2)43(32(49)25-18-21-8-4-5-9-22(21)30(40-25)23-10-6-7-11-24(23)36)17-15-39-28(46)12-13-29(47)41-27-14-16-44(34(50)42-27)33-35(37,38)31(48)26(19-45)51-33/h4-11,14,16,18,20,26,31,33,45,48H,3,12-13,15,17,19H2,1-2H3,(H,39,46)(H,41,42,47,50)/t20?,26-,31-,33-/m1/s1
SMILES: CC(=O)CCSCC(=O)N[C@@]12CCC(=O)[C@H]3[C@@]14CCN(C2CC5=C4C(=C(C=C5)O)O3)C
InChI: InChI=1S/C23H28N2O5S/c1-13(26)6-10-31-12-18(29)24-23-7-5-16(28)21-22(23)8-9-25(2)17(23)11-14-3-4-15(27)20(30-21)19(14)22/h3-4,17,21,27H,5-12H2,1-2H3,(H,24,29)/t17?,21-,22-,23+/m0/s1
SMILES: COC(=O)[C@@H]1[C@H](OC(=S)O1)[C@]2(CCC(=O)N2)C(=O)OC
InChI: InChI=1S/C11H13NO7S/c1-16-8(14)6-7(19-10(20)18-6)11(9(15)17-2)4-3-5(13)12-11/h6-7H,3-4H2,1-2H3,(H,12,13)/t6-,7-,11+/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)OCC(=O)NCC34CC5CC(C3)CC(C5)C4
InChI: InChI=1S/C24H34N2O5/c27-20(25-14-24-10-15-7-16(11-24)9-17(8-15)12-24)13-31-21(28)5-6-26-22(29)18-3-1-2-4-19(18)23(26)30/h15-19H,1-14H2,(H,25,27)/t15?,16?,17?,18-,19-,24?/m1/s1
SMILES: CC1=CC(=O)[C@@H]2C[C@@H]3C(=CCN4N3C(=O)N(C4=O)CCC5=NC6=CC(=C(C=C6N(C5=O)C)OC)OC)[C@@H]([C@@]2(C1=O)C)C7=C(C(=CC=C7)OC)O
InChI: InChI=1S/C36H37N5O9/c1-18-14-26(42)21-15-24-19(30(36(21,2)32(18)44)20-8-7-9-27(48-4)31(20)43)10-13-40-34(46)39(35(47)41(24)40)12-11-22-33(45)38(3)25-17-29(50-6)28(49-5)16-23(25)37-22/h7-10,14,16-17,21,24,30,43H,11-13,15H2,1-6H3/t21-,24+,30+,36+/m0/s1
SMILES: COC1=C(C=C(C=C1)[C@@H]2[C@H]3CC=C[C@H]3C4=C(N2)C(=CC=C4)OC)[N+](=O)[O-]
InChI: InChI=1S/C20H20N2O4/c1-25-17-10-9-12(11-16(17)22(23)24)19-14-6-3-5-13(14)15-7-4-8-18(26-2)20(15)21-19/h3-5,7-11,13-14,19,21H,6H2,1-2H3/t13-,14+,19-/m1/s1
SMILES: CC1=CC(=CC=C1)NC(=S)NC[C@@]2(CCC[C@@]3([C@@H]2CCC4=C3C=CC(=C4)C(C)C)C)C
InChI: InChI=1S/C28H38N2S/c1-19(2)21-10-12-24-22(17-21)11-13-25-27(4,14-7-15-28(24,25)5)18-29-26(31)30-23-9-6-8-20(3)16-23/h6,8-10,12,16-17,19,25H,7,11,13-15,18H2,1-5H3,(H2,29,30,31)/t25-,27+,28+/m1/s1
SMILES: C[C@H]1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=CC=C3C
InChI: InChI=1S/C16H19NO2/c1-10-7-8-12-13(9-10)16(19)17(15(12)18)14-6-4-3-5-11(14)2/h3-6,10,12-13H,7-9H2,1-2H3/t10-,12+,13+/m0/s1
SMILES: CC(=O)CC[C@]1([C@@H]2CC[C@@H](C2)N1CC3=CC=CC=C3)C(=O)OC
InChI: InChI=1S/C19H25NO3/c1-14(21)10-11-19(18(22)23-2)16-8-9-17(12-16)20(19)13-15-6-4-3-5-7-15/h3-7,16-17H,8-13H2,1-2H3/t16-,17+,19+/m1/s1
SMILES: COC1=CC(=C(C=C1)NC(=O)CN2CC[C@@H]3CCCC[C@@H]3C2)OC
InChI: InChI=1S/C19H28N2O3/c1-23-16-7-8-17(18(11-16)24-2)20-19(22)13-21-10-9-14-5-3-4-6-15(14)12-21/h7-8,11,14-15H,3-6,9-10,12-13H2,1-2H3,(H,20,22)/t14-,15+/m0/s1
SMILES: CC(=C1[C@H]2CC[C@@H]1[C@@H]([C@@H]2C(=O)NC3=C(C=CC(=C3)F)F)C(=O)[O-])C
InChI: InChI=1S/C18H19F2NO3/c1-8(2)14-10-4-5-11(14)16(18(23)24)15(10)17(22)21-13-7-9(19)3-6-12(13)20/h3,6-7,10-11,15-16H,4-5H2,1-2H3,(H,21,22)(H,23,24)/p-1/t10-,11+,15-,16+/m1/s1
SMILES: C1CN(C[C@H]([C@@H]1N)O)CC2=C3C(=CC=C2)N=CN=C3NC4=CC(=CC=C4)Cl
InChI: InChI=1S/C20H22ClN5O/c21-14-4-2-5-15(9-14)25-20-19-13(3-1-6-17(19)23-12-24-20)10-26-8-7-16(22)18(27)11-26/h1-6,9,12,16,18,27H,7-8,10-11,22H2,(H,23,24,25)/t16-,18-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)C23CC4CC(C2)CC(C4)C3
InChI: InChI=1S/C21H33NO3/c1-13-5-3-4-6-18(13)22-19(23)14(2)25-20(24)21-10-15-7-16(11-21)9-17(8-15)12-21/h13-18H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15?,16?,17?,18-,21?/m0/s1
SMILES: CCCNC(=O)OC[C@@H]1[C@H](C=C[C@H](O1)CCON=CC[C@@H]2C=C[C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC3=CC=C(C=C3)OC
InChI: InChI=1S/C31H42N2O11/c1-5-16-32-31(36)39-20-30-28(42-24-8-6-23(37-4)7-9-24)13-11-26(44-30)15-18-40-33-17-14-25-10-12-27(41-22(3)35)29(43-25)19-38-21(2)34/h6-13,17,25-30H,5,14-16,18-20H2,1-4H3,(H,32,36)/t25-,26-,27-,28-,29+,30+/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OCC[Si](C)(C)C)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)OC)O)O
InChI: InChI=1S/C18H34O11Si/c1-8-13(9(19)11(21)17(27-8)26-6-7-30(3,4)5)28-18-12(22)10(20)14(25-2)15(29-18)16(23)24/h8-15,17-22H,6-7H2,1-5H3,(H,23,24)/t8-,9-,10+,11-,12+,13+,14-,15-,17-,18+/m0/s1
SMILES: CC(C)N[C@@H]1CC[C@H]([C@@H](C1)CS(=O)(=O)C2=CC=C(C=C2)SC)NC(=O)C(C)NC(=O)C3=CC(=CC=C3)C(F)(F)F
InChI: InChI=1S/C28H36F3N3O4S2/c1-17(2)32-22-8-13-25(20(15-22)16-40(37,38)24-11-9-23(39-4)10-12-24)34-26(35)18(3)33-27(36)19-6-5-7-21(14-19)28(29,30)31/h5-7,9-12,14,17-18,20,22,25,32H,8,13,15-16H2,1-4H3,(H,33,36)(H,34,35)/t18?,20-,22+,25+/m0/s1
SMILES: CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3O)C(=O)OC
InChI: InChI=1S/C17H21NO5/c1-18-10-7-8-12(18)15(17(21)22-2)14(9-10)23-16(20)11-5-3-4-6-13(11)19/h3-6,10,12,14-15,19H,7-9H2,1-2H3/t10-,12+,14-,15+/m0/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)[C@H]2C[C@H]2C(=O)N/N=C\C3=C(C(=CC=C3)[N+](=O)[O-])[O-]
InChI: InChI=1S/C21H23N3O4/c1-21(2,3)15-9-7-13(8-10-15)16-11-17(16)20(26)23-22-12-14-5-4-6-18(19(14)25)24(27)28/h4-10,12,16-17,25H,11H2,1-3H3,(H,23,26)/p-1/b22-12-/t16-,17-/m1/s1
SMILES: C[C@H]1/C=C/C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)N(C)C(=O)C)OC)\C)O[C@]6(C4)C=C[C@@H]([C@H](O6)C(C)C)C)O
InChI: InChI=1S/C43H63NO11/c1-23(2)38-26(5)16-17-42(55-38)21-32-19-31(54-42)15-14-25(4)39(53-35-20-34(49-10)36(28(7)51-35)44(9)29(8)45)24(3)12-11-13-30-22-50-40-37(46)27(6)18-33(41(47)52-32)43(30,40)48/h11-14,16-18,23-24,26,28,31-40,46,48H,15,19-22H2,1-10H3/b12-11+,25-14+,30-13+/t24-,26-,28-,31+,32-,33-,34-,35-,36-,37+,38+,39-,40+,42+,43+/m0/s1
SMILES: CC1=C(SC(=N1)C)C2=NN=C(N2C)SCCCN3C[C@@H]4C[C@@]4(C3)C5=CC6=C(C=C5)SC(=N6)C
InChI: InChI=1S/C24H28N6S3/c1-14-21(33-15(2)25-14)22-27-28-23(29(22)4)31-9-5-8-30-12-18-11-24(18,13-30)17-6-7-20-19(10-17)26-16(3)32-20/h6-7,10,18H,5,8-9,11-13H2,1-4H3/t18-,24+/m0/s1
SMILES: [H][C@]([2H])([C@H](C)NC(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)O[C@H]3CCCC[C@@H]3C(C)(C)C4=CC5=CC=CC=C5C=C4
InChI: InChI=1S/C36H41NO2/c1-26(37-35(28-15-6-4-7-16-28)29-17-8-5-9-18-29)24-34(38)39-33-21-13-12-20-32(33)36(2,3)31-23-22-27-14-10-11-19-30(27)25-31/h4-11,14-19,22-23,25-26,32-33,35,37H,12-13,20-21,24H2,1-3H3/t26-,32-,33-/m0/s1/i24D/t24-,26-,32-,33-
SMILES: C1[C@@H]2[C@@H](C2(C3=CC=CC=C3)C4=CC=CC=N4)CC1C(C5=CC=CC=C5)O
InChI: InChI=1S/C24H23NO/c26-23(17-9-3-1-4-10-17)18-15-20-21(16-18)24(20,19-11-5-2-6-12-19)22-13-7-8-14-25-22/h1-14,18,20-21,23,26H,15-16H2/t18?,20-,21+,23?,24?
SMILES: C[C@@H]1C[C@@H]([C@@H](CN1C)C)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C22H27NO2/c1-16-15-23(3)17(2)14-20(16)25-22(24)21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,20-21H,14-15H2,1-3H3/t16-,17-,20+/m1/s1
SMILES: C/C/1=C\CCC(=C)[C@H]2[C@H](CC1)[C@]([C@@H]2OC(=O)/C=C(/C)\N3CCCCC3)(CCC=C(C)C)C=O
InChI: InChI=1S/C29H43NO3/c1-21(2)11-10-16-29(20-31)25-15-14-22(3)12-9-13-23(4)27(25)28(29)33-26(32)19-24(5)30-17-7-6-8-18-30/h11-12,19-20,25,27-28H,4,6-10,13-18H2,1-3,5H3/b22-12+,24-19-/t25-,27-,28+,29-/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC3=C(C(=O)[C@]4([C@@H](C35OCCCO5)O4)CCO)Br
InChI: InChI=1S/C28H33BrO6Si/c1-26(2,3)36(20-11-6-4-7-12-20,21-13-8-5-9-14-21)34-19-22-23(29)24(31)27(15-16-30)25(35-27)28(22)32-17-10-18-33-28/h4-9,11-14,25,30H,10,15-19H2,1-3H3/t25-,27-/m0/s1
SMILES: C[C@H]1[C@H]2[C@H](C([C@@H](O1)OCC3=CC=CC=C3)(F)F)O[C@@]4(CCCC[C@]4(O2)OC)OC
InChI: InChI=1S/C21H28F2O6/c1-14-16-17(29-20(25-3)12-8-7-11-19(20,24-2)28-16)21(22,23)18(27-14)26-13-15-9-5-4-6-10-15/h4-6,9-10,14,16-18H,7-8,11-13H2,1-3H3/t14-,16-,17+,18+,19+,20+/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=CC=C(C=C4)OCCO)C5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)F)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=C(C=C8)I
InChI: InChI=1S/C40H32ClFIN3O6/c41-24-5-3-23(4-6-24)40-33(37(49)46(39(40)51)44-27-11-7-25(42)8-12-27)21-32-30(35(40)22-1-15-29(16-2-22)52-20-19-47)17-18-31-34(32)38(50)45(36(31)48)28-13-9-26(43)10-14-28/h1-17,31-35,44,47H,18-21H2/t31-,32+,33-,34-,35-,40+/m0/s1
SMILES: C1[C@@H]2[C@H](CS1(=O)=O)N(C(=S)N2)C3=CC=CC4=CC=CC=C43
InChI: InChI=1S/C15H14N2O2S2/c18-21(19)8-12-14(9-21)17(15(20)16-12)13-7-3-5-10-4-1-2-6-11(10)13/h1-7,12,14H,8-9H2,(H,16,20)/t12-,14+/m1/s1
SMILES: CCOC(=O)[C@H]1[C@@H](NC(=O)N[C@@]1(C(F)(F)F)O)C2=CC(=CC=C2)F
InChI: InChI=1S/C14H14F4N2O4/c1-2-24-11(21)9-10(7-4-3-5-8(15)6-7)19-12(22)20-13(9,23)14(16,17)18/h3-6,9-10,23H,2H2,1H3,(H2,19,20,22)/t9-,10+,13-/m1/s1
SMILES: C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)OCC2=CC=CC=C2)OC(=O)/C=C/C3=CC=C(C=C3)O)O)O
InChI: InChI=1S/C23H24O8/c24-17-9-6-15(7-10-17)8-11-20(26)31-19-13-23(22(28)29,12-18(25)21(19)27)30-14-16-4-2-1-3-5-16/h1-11,18-19,21,24-25,27H,12-14H2,(H,28,29)/b11-8+/t18-,19-,21-,23+/m1/s1
SMILES: CC(C)(C)OC(=O)N1[C@@H]([C@H](CC1=O)C(=C)CCO)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C20H37NO5Si/c1-14(10-11-22)15-12-17(23)21(18(24)26-19(2,3)4)16(15)13-25-27(8,9)20(5,6)7/h15-16,22H,1,10-13H2,2-9H3/t15-,16-/m1/s1
SMILES: CCOC(=O)[C@H]1[C@H]2C3=CC=CC=C3O[C@@]1(N(C(=S)N2)C4=CC=CC=C4)C
InChI: InChI=1S/C20H20N2O3S/c1-3-24-18(23)16-17-14-11-7-8-12-15(14)25-20(16,2)22(19(26)21-17)13-9-5-4-6-10-13/h4-12,16-17H,3H2,1-2H3,(H,21,26)/t16-,17-,20+/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C3=CCCC[C@H]3[C@@H](O2)C4=CC=CC=C4O
InChI: InChI=1S/C19H24O2/c20-17-11-5-3-10-16(17)19-15-9-2-1-7-13(15)14-8-4-6-12-18(14)21-19/h3,5,7,10-11,14-15,18-20H,1-2,4,6,8-9,12H2/t14-,15-,18+,19-/m1/s1
SMILES: CC(C)[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)CC3=CC=C(C=C3)F)[C@@]4(N1)C5=CC=CC=C5NC4=O
InChI: InChI=1S/C23H22FN3O3/c1-12(2)19-17-18(23(26-19)15-5-3-4-6-16(15)25-22(23)30)21(29)27(20(17)28)11-13-7-9-14(24)10-8-13/h3-10,12,17-19,26H,11H2,1-2H3,(H,25,30)/t17-,18-,19-,23-/m0/s1
SMILES: CCOC(=O)CC1=C(N=C(S1)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)C
InChI: InChI=1S/C16H22N2O5S/c1-3-23-13(19)8-12-9(2)17-16(24-12)18-14(20)10-6-4-5-7-11(10)15(21)22/h10-11H,3-8H2,1-2H3,(H,21,22)(H,17,18,20)/t10-,11+/m1/s1
SMILES: CCC1=CC=C(C=C1)CN2[C@H]3[C@H](C(=O)N(C3=O)C4=CC(=C(C=C4)OC)Cl)N=N2
InChI: InChI=1S/C20H19ClN4O3/c1-3-12-4-6-13(7-5-12)11-24-18-17(22-23-24)19(26)25(20(18)27)14-8-9-16(28-2)15(21)10-14/h4-10,17-18H,3,11H2,1-2H3/t17-,18+/m1/s1
SMILES: CC1=CN(C2=CC(=C3C(=C12)[C@H]([C@](N3)(C)C(=O)OC)O)O)C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC
InChI: InChI=1S/C26H27N3O8/c1-11-10-29(14-9-15(30)20-18(17(11)14)23(31)26(2,28-20)25(33)37-6)24(32)13-7-12-8-16(34-3)21(35-4)22(36-5)19(12)27-13/h7-10,23,27-28,30-31H,1-6H3/t23-,26-/m1/s1
SMILES: C1=C[C@@]2([C@H]3[C@@H]([C@@H]1O2)C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O)CO
InChI: InChI=1S/C16H13NO6/c18-7-16-6-5-10(23-16)11-12(16)14(20)17(13(11)19)9-3-1-8(2-4-9)15(21)22/h1-6,10-12,18H,7H2,(H,21,22)/t10-,11-,12+,16+/m1/s1
SMILES: C1CN2[C@H]([C@H]3[C@@H](N2C1)C(=O)N(C3=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Br
InChI: InChI=1S/C20H17BrClN3O2/c21-13-4-2-12(3-5-13)17-16-18(24-11-1-10-23(17)24)20(27)25(19(16)26)15-8-6-14(22)7-9-15/h2-9,16-18H,1,10-11H2/t16-,17-,18+/m0/s1
SMILES: COC1=C(C=CC(=C1)[C@@H]2[C@H](C(=CC3=CC(=C(C=C23)O)OC)C(=O)O)C(=O)O)O
InChI: InChI=1S/C20H18O8/c1-27-15-6-9(3-4-13(15)21)17-11-8-14(22)16(28-2)7-10(11)5-12(19(23)24)18(17)20(25)26/h3-8,17-18,21-22H,1-2H3,(H,23,24)(H,25,26)/t17-,18-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C=CC4=CC(=O)C=C[C@]34C
InChI: InChI=1S/C19H22O2/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/h3-4,7,9,11,14-16H,5-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=CC(=C(C(=C6)Cl)O)OC)C)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C36H29Cl2FN2O7/c1-16(42)17-4-6-19(7-5-17)40-32(44)22-10-9-21-23(29(22)34(40)46)15-24-33(45)41(20-8-11-27(39)25(37)14-20)35(47)36(24,2)30(21)18-12-26(38)31(43)28(13-18)48-3/h4-9,11-14,22-24,29-30,43H,10,15H2,1-3H3/t22-,23+,24-,29-,30-,36+/m0/s1
SMILES: CC[C@H]1C[C@]2([C@@H](C[C@@H]([C@]2(C#C)O)F)[C@H]3[C@H]1C4=C(CC3)C=C(C=C4)O)C
InChI: InChI=1S/C22H27FO2/c1-4-13-12-21(3)18(11-19(23)22(21,25)5-2)17-8-6-14-10-15(24)7-9-16(14)20(13)17/h2,7,9-10,13,17-20,24-25H,4,6,8,11-12H2,1,3H3/t13-,17-,18-,19-,20+,21-,22-/m0/s1
SMILES: CC(C)NC1=NC2=C(C=C1)C([C@H]([C@@H]2C3=C(C=C(C=C3)OC)CO)C(=O)O)C4=CC5=C(CCO5)C=C4
InChI: InChI=1S/C28H30N2O5/c1-15(2)29-23-9-8-21-24(17-5-4-16-10-11-35-22(16)13-17)26(28(32)33)25(27(21)30-23)20-7-6-19(34-3)12-18(20)14-31/h4-9,12-13,15,24-26,31H,10-11,14H2,1-3H3,(H,29,30)(H,32,33)/t24?,25-,26+/m0/s1
SMILES: CC(C)(C)NC(=S)N[C@@H]1CC[C@]2(CCN([C@H]2C1)CC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5.Cl
InChI: InChI=1S/C27H35N3O2S.ClH/c1-26(2,3)29-25(33)28-21-11-12-27(20-9-10-22-23(15-20)32-18-31-22)13-14-30(24(27)16-21)17-19-7-5-4-6-8-19;/h4-10,15,21,24H,11-14,16-18H2,1-3H3,(H2,28,29,33);1H/t21-,24+,27+;/m1./s1
SMILES: CC(=O)NC1=CC(=CC=C1)NC(=O)[C@H]2[C@@H](C3CCC2CC3)C(=O)O
InChI: InChI=1S/C18H22N2O4/c1-10(21)19-13-3-2-4-14(9-13)20-17(22)15-11-5-7-12(8-6-11)16(15)18(23)24/h2-4,9,11-12,15-16H,5-8H2,1H3,(H,19,21)(H,20,22)(H,23,24)/t11?,12?,15-,16-/m1/s1
SMILES: CCCN([C@H]1CC(=NOC2CCCCO2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC6=CC=C(C=C6)C7=CC=CC=C7)OCC=C)CCCCO)CCCCO)S(=O)(=O)C8=CC=CC9=C8N=CC=C9
InChI: InChI=1S/C56H65N3O9S/c1-3-31-59(69(62,63)50-22-14-19-41-20-15-30-57-55(41)50)51-38-48(58-68-52-23-10-13-35-64-52)46-36-42(18-8-11-32-60)45(21-9-12-33-61)53-47-37-44(28-29-49(47)67-56(51,54(46)53)65-34-4-2)66-43-26-24-40(25-27-43)39-16-6-5-7-17-39/h4-7,14-17,19-20,22,24-30,36-37,42,45,51-54,60-61H,2-3,8-13,18,21,23,31-35,38H2,1H3/t42-,45+,51-,52?,53+,54+,56+/m0/s1
SMILES: C[C@@H]1[C@@H](C(=O)N(C1=O)C2=CC=C(C=C2)OC(F)(F)F)CC3=CC=C(C=C3)C
InChI: InChI=1S/C20H18F3NO3/c1-12-3-5-14(6-4-12)11-17-13(2)18(25)24(19(17)26)15-7-9-16(10-8-15)27-20(21,22)23/h3-10,13,17H,11H2,1-2H3/t13-,17+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C=CC4=C(C(=O)C=C[C@]34C)SC5=CC=CC=C5
InChI: InChI=1S/C25H26O2S/c1-24-15-13-21(26)23(28-16-6-4-3-5-7-16)20(24)9-8-17-18-10-11-22(27)25(18,2)14-12-19(17)24/h3-9,13,15,17-19H,10-12,14H2,1-2H3/t17-,18-,19-,24+,25-/m0/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)(C(=O)O)O)NC(=O)CC6=CC=CC=C6NC(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)O
InChI: InChI=1S/C41H42N2O19/c1-15-29(45)21(42-24(44)11-16-6-3-4-8-20(16)43-40(56)62-38-35(51)33(49)34(50)36(61-38)37(52)53)12-25(59-15)60-23-14-41(57,39(54)55)13-17-10-19-28(31(47)26(17)23)32(48)27-18(30(19)46)7-5-9-22(27)58-2/h3-10,15,21,23,25,29,33-36,38,45,47,49-51,57H,11-14H2,1-2H3,(H,42,44)(H,43,56)(H,52,53)(H,54,55)/t15-,21-,23-,25-,29+,33-,34-,35+,36-,38-,41-/m0/s1
SMILES: CC[C@@H](C)C(=O)O[C@@H]1[C@@H]2C=C3[C@@H](CC[C@@]4([C@@H]3CC(=O)O[C@H]4C5=COC=C5)C)[C@@](C2=O)([C@H](C1(C)C)CC(=O)OC)C
InChI: InChI=1S/C32H42O8/c1-8-17(2)29(36)40-28-20-13-19-21(32(6,26(20)35)23(30(28,3)4)15-24(33)37-7)9-11-31(5)22(19)14-25(34)39-27(31)18-10-12-38-16-18/h10,12-13,16-17,20-23,27-28H,8-9,11,14-15H2,1-7H3/t17-,20-,21-,22-,23+,27+,28-,31-,32-/m1/s1
SMILES: CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC(=C(C=C2)O)O)C(=O)N[C@]3([C@@H]4N(C3=O)[C@@H](C(S4)(C)C)C(=O)O)NC=O
InChI: InChI=1S/C24H28N6O10S/c1-4-28-7-8-29(18(36)17(28)35)22(40)26-14(11-5-6-12(32)13(33)9-11)16(34)27-24(25-10-31)20(39)30-15(19(37)38)23(2,3)41-21(24)30/h5-6,9-10,14-15,21,32-33H,4,7-8H2,1-3H3,(H,25,31)(H,26,40)(H,27,34)(H,37,38)/t14?,15-,21-,24-/m1/s1
SMILES: C[C@@]1([C@H]2[C@@H]1[C@@]3(C4=CC=CC=C4C(=O)[C@H]2O3)OC)C5=CC=CC=C5
InChI: InChI=1S/C20H18O3/c1-19(12-8-4-3-5-9-12)15-17-16(21)13-10-6-7-11-14(13)20(22-2,23-17)18(15)19/h3-11,15,17-18H,1-2H3/t15-,17+,18+,19+,20+/m1/s1
SMILES: CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@]45[C@@]3(CC[C@H]4C5)C)C)C(C)C
InChI: InChI=1S/C29H46O/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(30)29-17-21(29)12-15-28(29,6)25(22)13-14-27(23,24)5/h8-9,18-25H,7,10-17H2,1-6H3/b9-8+/t19-,20-,21+,22+,23-,24+,25+,27-,28-,29+/m1/s1