EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)/C=C/[C]2[CH][CH][CH][CH]2)C(C)(C)C3=CC=CC=C3.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChI: InChI=1S/C24H29O2.C5H5.Fe/c1-18-13-15-21(24(2,3)20-11-5-4-6-12-20)22(17-18)26-23(25)16-14-19-9-7-8-10-19;1-2-4-5-3-1;/h4-12,14,16,18,21-22H,13,15,17H2,1-3H3;1-5H;/q;;+2/t18-,21-,22-;;/m1../s1
SMILES: CCCCCCCC[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]4[C@]5([C@@]3(CC[C@@H](C5)OC(=O)C)C)O4)C
InChI: InChI=1S/C29H48O3/c1-5-6-7-8-9-10-11-21-12-13-24-23-18-26-29(32-26)19-22(31-20(2)30)14-17-28(29,4)25(23)15-16-27(21,24)3/h21-26H,5-19H2,1-4H3/t21-,22-,23-,24-,25-,26+,27+,28+,29+/m0/s1
SMILES: C1CC[C@@]([C@@H](C1)CC2=CC=C(C=C2)Cl)(CN3C=NC=N3)O
InChI: InChI=1S/C16H20ClN3O/c17-15-6-4-13(5-7-15)9-14-3-1-2-8-16(14,21)10-20-12-18-11-19-20/h4-7,11-12,14,21H,1-3,8-10H2/t14-,16-/m0/s1
SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C18H22N2O6/c1-25-16-9-14(20(23)24)4-5-15(16)19-17(21)10-26-18(22)8-13-7-11-2-3-12(13)6-11/h4-5,9,11-13H,2-3,6-8,10H2,1H3,(H,19,21)/t11-,12+,13-/m0/s1
SMILES: CCCCN1[C@H]([C@@H](N(C1=O)C2=NN=C(S2)C(C)(C)C)O)C3=CC(=C(C=C3)Cl)C
InChI: InChI=1S/C20H27ClN4O2S/c1-6-7-10-24-15(13-8-9-14(21)12(2)11-13)16(26)25(19(24)27)18-23-22-17(28-18)20(3,4)5/h8-9,11,15-16,26H,6-7,10H2,1-5H3/t15-,16-/m0/s1
SMILES: CCN1C(=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(C=C5)OCCO)C6=CC=CC=C6)NC7=CC=C(C=C7)C
InChI: InChI=1S/C37H37N3O6/c1-3-39-33(42)28-18-17-27-29(31(28)35(39)44)21-30-34(43)40(38-25-13-9-22(2)10-14-25)36(45)37(30,24-7-5-4-6-8-24)32(27)23-11-15-26(16-12-23)46-20-19-41/h4-17,28-32,38,41H,3,18-21H2,1-2H3/t28-,29+,30-,31-,32-,37+/m0/s1
SMILES: CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=O)C(C1=O)C(=O)N)O)O)O)C5=CC=CC=C5N(C)C
InChI: InChI=1S/C29H31N3O7/c1-31(2)18-8-6-5-7-15(18)14-9-10-19(33)21-16(14)11-13-12-17-23(32(3)4)25(35)22(28(30)38)27(37)29(17,39)26(36)20(13)24(21)34/h5-10,13,17,22-23,33-34,39H,11-12H2,1-4H3,(H2,30,38)/t13-,17-,22?,23-,29-/m0/s1
SMILES: CC(=O)C1=CC[C@H]2[C@@]1(CC[C@@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OC(=O)CCN5CCCCC5)C)C
InChI: InChI=1S/C29H43NO3/c1-20(31)24-9-10-25-23-8-7-21-19-22(33-27(32)13-18-30-16-5-4-6-17-30)11-14-28(21,2)26(23)12-15-29(24,25)3/h7,9,22-23,25-26H,4-6,8,10-19H2,1-3H3/t22-,23+,25-,26-,28+,29-/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)N
InChI: InChI=1S/C28H33NO5/c1-30-28-25(29)27(33-19-23-15-9-4-10-16-23)26(32-18-22-13-7-3-8-14-22)24(34-28)20-31-17-21-11-5-2-6-12-21/h2-16,24-28H,17-20,29H2,1H3/t24-,25-,26-,27-,28+/m1/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C=C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)C
InChI: InChI=1S/C24H36O4/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/h9,11,14-19,22,25H,4-8,10,12-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,22+,23+,24-/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)C5=CC=CO5)C)O)Cl)C
InChI: InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,24+,25+,26+,27+/m1/s1
SMILES: C1C[C@H]2C[C@@H]1C[C@@H]2CC(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4)Br)Cl
InChI: InChI=1S/C19H24BrClN2O3S/c20-16-3-4-18(17(21)12-16)27(25,26)23-7-5-22(6-8-23)19(24)11-15-10-13-1-2-14(15)9-13/h3-4,12-15H,1-2,5-11H2/t13-,14+,15-/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H]3C[C@H]3C(=O)N[C@@H](CS)C(=O)OC
InChI: InChI=1S/C25H33NO4SSi/c1-25(2,3)32(19-11-7-5-8-12-19,20-13-9-6-10-14-20)30-16-18-15-21(18)23(27)26-22(17-31)24(28)29-4/h5-14,18,21-22,31H,15-17H2,1-4H3,(H,26,27)/t18-,21-,22+/m1/s1
SMILES: CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N(C)C)C)NO
InChI: InChI=1S/C29H36N2O2/c1-5-15-29(30-33)16-14-26-24-12-8-20-17-22(32)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)31(3)4/h6-7,9-10,17,24-26,30,33H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
SMILES: C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCCC(=O)O5)C
InChI: InChI=1S/C23H34O3/c1-21-11-7-16(24)14-15(21)5-6-17-18(21)8-12-22(2)19(17)9-13-23(22)10-3-4-20(25)26-23/h15,17-19H,3-14H2,1-2H3/t15-,17-,18+,19+,21+,22+,23+/m1/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O[P+](=O)O
InChI: InChI=1S/C31H30N5O8P/c1-40-22-12-8-20(9-13-22)31(19-6-4-3-5-7-19,21-10-14-23(41-2)15-11-21)42-16-24-27(44-45(38)39)26(37)30(43-24)36-18-35-25-28(32)33-17-34-29(25)36/h3-15,17-18,24,26-27,30,37H,16H2,1-2H3,(H2-,32,33,34,38,39)/p+1/t24-,26-,27-,30-/m1/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-/m0/s1
SMILES: C1CC2=C(C=C3C=CC4=C5C3=C2C=CC5=C(C=C4)[N+](=O)[O-])[C@@H]([C@H]1OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7
InChI: InChI=1S/C34H23NO6/c36-33(21-7-3-1-4-8-21)40-29-18-16-24-25-14-15-26-28(35(38)39)17-13-20-11-12-23(31(25)30(20)26)19-27(24)32(29)41-34(37)22-9-5-2-6-10-22/h1-15,17,19,29,32H,16,18H2/t29-,32-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1OC2=CC=CC(=C2O)C3=NC4=C(N3)C=C(C(=C4)C(=[NH2+])N)F
InChI: InChI=1S/C21H23FN4O2/c1-11-5-2-3-7-17(11)28-18-8-4-6-12(19(18)27)21-25-15-9-13(20(23)24)14(22)10-16(15)26-21/h4,6,8-11,17,27H,2-3,5,7H2,1H3,(H3,23,24)(H,25,26)/p+1/t11-,17+/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H](C=CO[C@@H]1C(=O)OC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C15H26O6Si/c1-10(16)20-12-11(21-22(6,7)15(2,3)4)8-9-19-13(12)14(17)18-5/h8-9,11-13H,1-7H3/t11-,12+,13+/m1/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=NC5=O)NC(=O)C6=CC=CO6)O[P+](=O)[O-]
InChI: InChI=1S/C35H32N3O10P/c1-43-26-14-10-24(11-15-26)35(23-7-4-3-5-8-23,25-12-16-27(44-2)17-13-25)46-22-30-29(48-49(41)42)21-32(47-30)38-19-18-31(37-34(38)40)36-33(39)28-9-6-20-45-28/h3-20,29-30,32H,21-22H2,1-2H3,(H,36,37,39,40)/t29-,30+,32+/m0/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N\O[C@@H](C3=CC(=C(C(=C3)F)O)O)C(=O)O)/C4=CSC(=N4)N)C(=O)[O-])/C=C/C[N+]5=CC=CC6=CC=CC=C65
InChI: InChI=1S/C32H25FN6O9S2/c33-18-11-17(12-21(40)25(18)41)26(31(46)47)48-37-22(19-14-50-32(34)35-19)27(42)36-23-28(43)39-24(30(44)45)16(13-49-29(23)39)7-4-10-38-9-3-6-15-5-1-2-8-20(15)38/h1-9,11-12,14,23,26,29H,10,13H2,(H6-,34,35,36,37,40,41,42,44,45,46,47)/b7-4+/t23-,26+,29-/m1/s1
SMILES: CN([C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)O)OCC=C)CCCCO)CCCCO)C(=O)C5CC5
InChI: InChI=1S/C33H46N2O7/c1-4-17-41-33-29(35(2)32(39)21-11-12-21)20-27(34-40-3)25-18-22(9-5-7-15-36)24(10-6-8-16-37)30(31(25)33)26-19-23(38)13-14-28(26)42-33/h4,13-14,18-19,21-22,24,29-31,36-38H,1,5-12,15-17,20H2,2-3H3/t22-,24+,29-,30+,31+,33+/m0/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OC[C@H]1C2=C(C=C(C=C2O[Si](C(C)C)(C(C)C)C(C)C)C(=O)OC)N3C[C@H]4[C@@H]([C@@]1(O3)OCOC)N4C(=O)OC
InChI: InChI=1S/C36H62N2O9Si2/c1-21(2)48(22(3)4,23(5)6)45-19-28-32-29(37-18-30-33(38(30)35(40)43-15)36(28,47-37)44-20-41-13)16-27(34(39)42-14)17-31(32)46-49(24(7)8,25(9)10)26(11)12/h16-17,21-26,28,30,33H,18-20H2,1-15H3/t28-,30-,33-,36+,38?/m0/s1
SMILES: CC(C)(CBr)[C@@H]1[C@@H](C(=O)N1C/C=C/C2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C23H26BrNO2/c1-23(2,17-24)21-20(27-16-19-12-7-4-8-13-19)22(26)25(21)15-9-14-18-10-5-3-6-11-18/h3-14,20-21H,15-17H2,1-2H3/b14-9+/t20-,21-/m0/s1
SMILES: C1[C@@H]([C@@](O[C@H]1N2C=NC3=C2N=CN=C3N(C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)(CO)[Se]C6=CC=CC=C6)OC(=O)C7=CC=CC=C7
InChI: InChI=1S/C37H29N5O6Se/c43-22-37(49-28-19-11-4-12-20-28)29(47-36(46)27-17-9-3-10-18-27)21-30(48-37)41-24-40-31-32(41)38-23-39-33(31)42(34(44)25-13-5-1-6-14-25)35(45)26-15-7-2-8-16-26/h1-20,23-24,29-30,43H,21-22H2/t29-,30+,37+/m0/s1
SMILES: C1CC(=O)N[C@@H]([C@H]1[N+](=O)[O-])C2=CC3=C(C=C2)OCO3
InChI: InChI=1S/C12H12N2O5/c15-11-4-2-8(14(16)17)12(13-11)7-1-3-9-10(5-7)19-6-18-9/h1,3,5,8,12H,2,4,6H2,(H,13,15)/t8-,12+/m0/s1
SMILES: CC[C@@]1(CC[C@@H](O1)[C@]2(CC[C@@]3(O2)C[C@@H]([C@H]([C@H](O3)[C@@H](C)[C@H]([C@H](C)C(=O)O)OC)C)N)C)[C@H]4[C@H](C[C@@H](O4)[C@@H]5[C@H](C[C@H]([C@@](O5)(CO)O)C)C)C
InChI: InChI=1S/C36H63NO10/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-38)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(37)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,38,41H,10-18,37H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,33+,34+,35+,36-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)OC(=O)[C@@H]5CCCN5
InChI: InChI=1S/C31H39N3O6Si/c1-21-19-34(30(37)33-28(21)35)27-18-25(40-29(36)24-16-11-17-32-24)26(39-27)20-38-41(31(2,3)4,22-12-7-5-8-13-22)23-14-9-6-10-15-23/h5-10,12-15,19,24-27,32H,11,16-18,20H2,1-4H3,(H,33,35,37)/t24-,25-,26+,27+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4C3C[C@](C4=O)(C(=O)OC)O)C
InChI: InChI=1S/C27H42O4/c1-16(2)7-6-8-17(3)22-11-12-23-19-9-10-20-21(18(19)13-14-26(22,23)4)15-27(30,24(20)28)25(29)31-5/h10,16-19,21-23,30H,6-9,11-15H2,1-5H3/t17-,18?,19?,21?,22-,23?,26-,27+/m1/s1
SMILES: C[C@H]1/C(=N\NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/CC[C@]1(C3=CC=CC=C3)C(=O)O
InChI: InChI=1S/C19H18N4O6/c1-12-15(9-10-19(12,18(24)25)13-5-3-2-4-6-13)20-21-16-8-7-14(22(26)27)11-17(16)23(28)29/h2-8,11-12,21H,9-10H2,1H3,(H,24,25)/b20-15-/t12-,19-/m0/s1
SMILES: C1[C@@]([C@H](C2=C(O1)C=C(C=C2)O)O)(CC3=CC(=C(C=C3)O)O)O
InChI: InChI=1S/C16H16O6/c17-10-2-3-11-14(6-10)22-8-16(21,15(11)20)7-9-1-4-12(18)13(19)5-9/h1-6,15,17-21H,7-8H2/t15-,16+/m0/s1
SMILES: CCOC(=O)[C@H]([C@H]1[C@@H](CCN1C(=O)OCC2=CC=CC=C2)NC(=O)C(F)(F)F)C(C)C
InChI: InChI=1S/C21H27F3N2O5/c1-4-30-18(27)16(13(2)3)17-15(25-19(28)21(22,23)24)10-11-26(17)20(29)31-12-14-8-6-5-7-9-14/h5-9,13,15-17H,4,10-12H2,1-3H3,(H,25,28)/t15-,16+,17-/m1/s1
SMILES: CC(C)(C)OC(=O)[C@@H]1[C@H]2CC[C@@H]([C@@H]1C(=O)O[C@@H]3CCCC[C@H]3C4=CC=CC=C4)C=C2
InChI: InChI=1S/C26H34O4/c1-26(2,3)30-25(28)23-19-15-13-18(14-16-19)22(23)24(27)29-21-12-8-7-11-20(21)17-9-5-4-6-10-17/h4-6,9-10,13,15,18-23H,7-8,11-12,14,16H2,1-3H3/t18-,19+,20-,21+,22-,23+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[C@H]([C@@H]1NOC2CCCO2)N3C=CC(=O)NC3=O)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C
InChI: InChI=1S/C35H51N3O7Si2/c1-34(2,3)46(7,8)45-31-27(24-42-47(35(4,5)6,25-16-11-9-12-17-25)26-18-13-10-14-19-26)43-32(38-22-21-28(39)36-33(38)40)30(31)37-44-29-20-15-23-41-29/h9-14,16-19,21-22,27,29-32,37H,15,20,23-24H2,1-8H3,(H,36,39,40)/t27-,29?,30-,31-,32-/m1/s1
SMILES: CCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C3CCCCC3)NC(=O)C4=NC=CN=C4)C(CC)CC
InChI: InChI=1S/C38H59N7O6/c1-7-13-27(31(46)36(50)41-25-16-17-25)42-35(49)30-26(23(8-2)9-3)18-21-45(30)37(51)32(38(4,5)6)44-34(48)29(24-14-11-10-12-15-24)43-33(47)28-22-39-19-20-40-28/h19-20,22-27,29-30,32H,7-18,21H2,1-6H3,(H,41,50)(H,42,49)(H,43,47)(H,44,48)/t26-,27+,29+,30+,32-/m1/s1
SMILES: C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1
InChI: InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17-,19-,20-,21-,22-,23-,24-,25-,26-,27+/m0/s1
SMILES: CCOC1=CC=CC=C1N2C(=O)[C@H]3[C@H](C=C[C@@H]([C@@H]3C2=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C28H25NO3/c1-2-32-24-16-10-9-15-23(24)29-27(30)25-21(19-11-5-3-6-12-19)17-18-22(26(25)28(29)31)20-13-7-4-8-14-20/h3-18,21-22,25-26H,2H2,1H3/t21-,22-,25+,26+/m1/s1
SMILES: CC[C@]1(C2=CC=CC=C2N([C@]13C=C(C=C([C@H]3C(=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C)C7=CC=CC=C7
InChI: InChI=1S/C41H35NO/c1-3-40(34-24-14-7-15-25-34)36-26-16-17-27-37(36)42(2)41(40)29-33(30-18-8-4-9-19-30)28-35(31-20-10-5-11-21-31)38(41)39(43)32-22-12-6-13-23-32/h4-29,38H,3H2,1-2H3/t38-,40+,41-/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)C=C[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)Br
InChI: InChI=1S/C44H36BrNO7/c1-52-36-21-25(22-37(53-2)41(36)49)13-20-34-30-18-19-31-39(43(51)46(42(31)50)29-16-14-28(45)15-17-29)33(30)23-35-40(48)32(26-9-5-3-6-10-26)24-38(47)44(34,35)27-11-7-4-8-12-27/h3-18,20-22,24,31,33-35,39,49H,19,23H2,1-2H3/t31-,33+,34-,35-,39-,44-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI: InChI=1S/C19H24Cl2N2O4/c1-11-4-3-5-16(12(11)2)23-17(24)10-27-18(25)9-22-19(26)14-7-6-13(20)8-15(14)21/h6-8,11-12,16H,3-5,9-10H2,1-2H3,(H,22,26)(H,23,24)/t11-,12-,16+/m1/s1
SMILES: CO[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2N3C(=NN=N3)C4=CC5=C(C=C4)OCCO5
InChI: InChI=1S/C16H18N4O5/c1-21-13-8-25-14-10(7-24-15(13)14)20-16(17-18-19-20)9-2-3-11-12(6-9)23-5-4-22-11/h2-3,6,10,13-15H,4-5,7-8H2,1H3/t10-,13+,14+,15+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC)CC[C@@H]4[C@@]3(C[C@H](C(=O)C4)Cl)C
InChI: InChI=1S/C20H31ClO2/c1-19-9-8-15-13(14(19)6-7-18(19)23-3)5-4-12-10-17(22)16(21)11-20(12,15)2/h12-16,18H,4-11H2,1-3H3/t12-,13-,14-,15-,16+,18-,19-,20-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H]2CC=C([C@H]2CN1C(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)OCCCCCC5=CC=CC=C5
InChI: InChI=1S/C35H39NO5/c1-2-39-34(37)33-31-22-21-30(32(31)24-36(33)35(38)41-25-27-15-8-4-9-16-27)28-17-19-29(20-18-28)40-23-11-5-10-14-26-12-6-3-7-13-26/h3-4,6-9,12-13,15-21,31-33H,2,5,10-11,14,22-25H2,1H3/t31-,32+,33-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(CC(C(=O)C4)C(C(F)(F)F)O)C
InChI: InChI=1S/C21H31F3O3/c1-19-8-7-15-12(14(19)5-6-17(19)26)4-3-11-9-16(25)13(10-20(11,15)2)18(27)21(22,23)24/h11-15,17-18,26-27H,3-10H2,1-2H3/t11-,12-,13?,14-,15-,17-,18?,19-,20-/m0/s1
SMILES: CCOC1=C(C=CC(=C1)[C@@H]2[C@@H]3CCCC[C@]3(CCN2CCC(=O)N)O)O
InChI: InChI=1S/C20H30N2O4/c1-2-26-17-13-14(6-7-16(17)23)19-15-5-3-4-9-20(15,25)10-12-22(19)11-8-18(21)24/h6-7,13,15,19,23,25H,2-5,8-12H2,1H3,(H2,21,24)/t15-,19+,20+/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](N(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N5CC[C@H](C5)NC(=O)OCC6=CC=C(C=C6)[N+](=O)[O-])C(=O)OCC7=CC=C(C=C7)[N+](=O)[O-])[C@@H](C)O
InChI: InChI=1S/C42H43N7O15S/c1-23-35-34(24(2)50)39(52)46(35)36(40(53)62-20-25-3-9-29(10-4-25)47(56)57)37(23)65-32-17-33(45(19-32)42(55)64-22-27-7-13-31(14-8-27)49(60)61)38(51)44-16-15-28(18-44)43-41(54)63-21-26-5-11-30(12-6-26)48(58)59/h3-14,23-24,28,32-35,50H,15-22H2,1-2H3,(H,43,54)/t23-,24-,28-,32+,33+,34-,35-/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)CCC(=O)O)CSC5=NN=NN5C6=CC=C(C=C6)O
InChI: InChI=1S/C37H37N5O7S/c1-23-32(22-50-37-39-40-41-42(37)29-14-16-30(44)17-15-29)48-36(49-35(23)26-8-6-24(21-43)7-9-26)27-12-10-25(11-13-27)31-5-3-2-4-28(31)20-38-33(45)18-19-34(46)47/h2-17,23,32,35-36,43-44H,18-22H2,1H3,(H,38,45)(H,46,47)/t23-,32+,35+,36+/m0/s1
SMILES: CCCCCCCCCCCCN1C(=O)C(N(C1=O)C)[C@H](CN(C)[C@@H]([C@H](C2[C@H]([C@H](C(O2)N3C=CC(=O)NC3=O)O)O)OC4[C@@H]([C@@H]([C@H](O4)CN)O)O)C(=O)NC)O
InChI: InChI=1S/C36H61N7O13/c1-5-6-7-8-9-10-11-12-13-14-16-42-32(51)23(41(4)36(42)53)20(44)19-40(3)24(31(50)38-2)29(56-34-28(49)25(46)21(18-37)54-34)30-26(47)27(48)33(55-30)43-17-15-22(45)39-35(43)52/h15,17,20-21,23-30,33-34,44,46-49H,5-14,16,18-19,37H2,1-4H3,(H,38,50)(H,39,45,52)/t20-,21+,23?,24-,25+,26-,27+,28+,29+,30?,33?,34?/m0/s1
SMILES: C[C@]12CCC[C@@]([C@@H]1CC[C@]34C2CC[C@](C3)(C(=O)C4)CO)(C)C(=O)OC
InChI: InChI=1S/C21H32O4/c1-18-7-4-8-19(2,17(24)25-3)14(18)5-9-20-11-16(23)21(12-20,13-22)10-6-15(18)20/h14-15,22H,4-13H2,1-3H3/t14-,15?,18+,19-,20-,21-/m1/s1
SMILES: CCCCN1C(=O)[C@@H]2[C@@H](N[C@@]3([C@H]2C1=O)C4=C(C(=C(C=C4)C)C)NC3=O)CCC(=O)N
InChI: InChI=1S/C22H28N4O4/c1-4-5-10-26-19(28)16-14(8-9-15(23)27)25-22(17(16)20(26)29)13-7-6-11(2)12(3)18(13)24-21(22)30/h6-7,14,16-17,25H,4-5,8-10H2,1-3H3,(H2,23,27)(H,24,30)/t14-,16+,17+,22+/m0/s1
SMILES: CC(=O)C1=C[C@@H]2[C@@H]3CC(=O)O[C@@H]3[C@H]1C(C2=O)(OC)OC
InChI: InChI=1S/C14H16O6/c1-6(15)7-4-9-8-5-10(16)20-12(8)11(7)14(18-2,19-3)13(9)17/h4,8-9,11-12H,5H2,1-3H3/t8-,9+,11-,12-/m0/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)NCC8=NC9=CC=CC=C9N8)C(=O)OCCOC)CC1=CC=CC=C1
InChI: InChI=1S/C58H54N6O9/c1-62(37-39-17-6-3-7-18-39)30-16-19-38-28-29-46-43(35-38)58(56(68)63(46)57(69)72-34-33-70-2)49(54(66)59-36-48-60-44-25-13-14-26-45(44)61-48)51-55(67)73-52(41-22-10-5-11-23-41)50(40-20-8-4-9-21-40)64(51)53(58)42-24-12-15-27-47(42)71-32-31-65/h3-15,17-18,20-29,35,49-53,65H,30-34,36-37H2,1-2H3,(H,59,66)(H,60,61)/t49-,50-,51-,52+,53+,58-/m1/s1
SMILES: CC1=C2C(=NN1)C[C@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@H](C5)O)C)C
InChI: InChI=1S/C21H30N2O/c1-12-19-18(23-22-12)11-17-15-5-4-13-10-14(24)6-8-20(13,2)16(15)7-9-21(17,19)3/h4,14-17,24H,5-11H2,1-3H3,(H,22,23)/t14-,15-,16+,17-,20+,21+/m1/s1
SMILES: CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)N3CC[C@@H]4CCCC[C@@H]4C3)C
InChI: InChI=1S/C20H27N5OS/c1-14-7-8-18(15(2)11-14)25-20(21-22-23-25)27-13-19(26)24-10-9-16-5-3-4-6-17(16)12-24/h7-8,11,16-17H,3-6,9-10,12-13H2,1-2H3/t16-,17+/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CC6=C(C=C(C=C6)OC)OC)C[C@@H](CO)O)O)C(=C5)C(=O)C7=CC=CC=C7C8=CC=CC=C8)O)C
InChI: InChI=1S/C47H57NO7/c1-43-19-16-33(50)25-45(43)22-23-47(38(26-45)42(52)37-13-9-8-12-36(37)31-10-6-5-7-11-31)40(43)17-20-44(2)41(47)18-21-46(44,53)30-48(28-34(51)29-49)27-32-14-15-35(54-3)24-39(32)55-4/h5-15,22-24,26,33-34,40-41,49-51,53H,16-21,25,27-30H2,1-4H3/t33?,34-,40+,41+,43+,44-,45-,46+,47+/m0/s1
SMILES: C[C@H](C(=O)O[C@H]1[C@@]2(CC[C@@H](C2)C1(C)C)C)NC(=O)[C@H](CC(=O)O)N
InChI: InChI=1S/C17H28N2O5/c1-9(19-13(22)11(18)7-12(20)21)14(23)24-15-16(2,3)10-5-6-17(15,4)8-10/h9-11,15H,5-8,18H2,1-4H3,(H,19,22)(H,20,21)/t9-,10+,11+,15-,17-/m1/s1
SMILES: CCC(C)C(=O)O[C@@H]1C/C(=C\CC/C(=C/[C@@H]2[C@@H]1C(=C)C(=O)O2)/CO)/C(=O)OC
InChI: InChI=1S/C21H28O7/c1-5-12(2)19(23)27-17-10-15(21(25)26-4)8-6-7-14(11-22)9-16-18(17)13(3)20(24)28-16/h8-9,12,16-18,22H,3,5-7,10-11H2,1-2,4H3/b14-9-,15-8+/t12?,16-,17-,18+/m1/s1
SMILES: CC(C)(C)CCN1[C@@H]2CCCC[C@H]2N(P1(=O)C(F)(Br)Br)CCC(C)(C)C
InChI: InChI=1S/C19H36Br2FN2OP/c1-17(2,3)11-13-23-15-9-7-8-10-16(15)24(14-12-18(4,5)6)26(23,25)19(20,21)22/h15-16H,7-14H2,1-6H3/t15-,16-/m1/s1
SMILES: C1CCCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=O)[C@@H]4[C@@H]5C[C@H]([C@@H]4C3=O)C=C5
InChI: InChI=1S/C22H24N2O3/c25-20(23-11-3-1-2-4-12-23)14-7-9-17(10-8-14)24-21(26)18-15-5-6-16(13-15)19(18)22(24)27/h5-10,15-16,18-19H,1-4,11-13H2/t15-,16+,18+,19-
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)CSC5=NN=NN5C
InChI: InChI=1S/C30H33N5O4S/c1-19-27(18-40-30-32-33-34-35(30)3)38-29(39-28(19)23-10-8-21(17-36)9-11-23)24-14-12-22(13-15-24)26-7-5-4-6-25(26)16-31-20(2)37/h4-15,19,27-29,36H,16-18H2,1-3H3,(H,31,37)/t19-,27+,28+,29+/m0/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@@H]2CN(CC3)C)C(=O)COC4=CC=CC=C4F
InChI: InChI=1S/C21H23FN2O2/c1-14-7-8-18-15(11-14)16-12-23(2)10-9-19(16)24(18)21(25)13-26-20-6-4-3-5-17(20)22/h3-8,11,16,19H,9-10,12-13H2,1-2H3/t16-,19+/m1/s1
SMILES: COC(=O)C1=CC2[C@H]3[C@@H](C1[C@H]4[C@@H]2C(=O)N(C4=O)C5=CC=CC=C5)C(=O)N(C3=O)C6=CC=CC=C6
InChI: InChI=1S/C26H20N2O6/c1-34-26(33)16-12-15-18-20(24(31)27(22(18)29)13-8-4-2-5-9-13)17(16)21-19(15)23(30)28(25(21)32)14-10-6-3-7-11-14/h2-12,15,17-21H,1H3/t15?,17?,18-,19+,20+,21-
SMILES: CCO[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@@H](C)CCCC(C)C)C)C
InChI: InChI=1S/C29H50O/c1-7-30-23-15-17-28(5)22(19-23)11-12-24-26-14-13-25(21(4)10-8-9-20(2)3)29(26,6)18-16-27(24)28/h11,20-21,23-27H,7-10,12-19H2,1-6H3/t21-,23-,24-,25+,26-,27-,28-,29+/m0/s1
SMILES: C[C@@H]1C2=C(CC[C@]3(C2=CC[C@H]3OC(=O)C)C)C4=C(O1)C=C(C=C4)OC
InChI: InChI=1S/C21H24O4/c1-12-20-16(15-6-5-14(23-4)11-18(15)24-12)9-10-21(3)17(20)7-8-19(21)25-13(2)22/h5-7,11-12,19H,8-10H2,1-4H3/t12-,19-,21+/m1/s1
SMILES: CC(=O)O[C@H]1[C@H]([C@@H]([C@H](OC1=O)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C29H30O7/c1-21(30)35-28-27(34-19-24-15-9-4-10-16-24)26(33-18-23-13-7-3-8-14-23)25(36-29(28)31)20-32-17-22-11-5-2-6-12-22/h2-16,25-28H,17-20H2,1H3/t25-,26-,27+,28+/m1/s1
SMILES: C[C@@H](C(=O)OCC(=O)NC(C)C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O
InChI: InChI=1S/C16H24N2O5/c1-9(2)17-13(19)8-23-16(22)10(3)18-14(20)11-6-4-5-7-12(11)15(18)21/h9-12H,4-8H2,1-3H3,(H,17,19)/t10-,11-,12-/m0/s1
SMILES: CCCCC[C@@H](/C=C/C1[C@@H](C[C@H]2[C@@H]1CC(=C2)CCCCC(=O)O)O)O
InChI: InChI=1S/C21H34O4/c1-2-3-4-8-17(22)10-11-18-19-13-15(7-5-6-9-21(24)25)12-16(19)14-20(18)23/h10-12,16-20,22-23H,2-9,13-14H2,1H3,(H,24,25)/b11-10+/t16-,17-,18?,19-,20+/m0/s1
SMILES: CCCN(CCC)CC(=O)O[C@H]1CCC([C@H]2[C@]1([C@]3(C(=O)C[C@](O[C@@]3([C@H]([C@H]2O)OC(=O)C)C)(C)C=C)O)C)(C)C
InChI: InChI=1S/C30H49NO8/c1-10-15-31(16-11-2)18-22(34)38-21-13-14-26(5,6)24-23(35)25(37-19(4)32)29(9)30(36,28(21,24)8)20(33)17-27(7,12-3)39-29/h12,21,23-25,35-36H,3,10-11,13-18H2,1-2,4-9H3/t21-,23-,24-,25-,27-,28-,29+,30-/m0/s1
SMILES: C[C@]1(CC2=CC=CC=C2[C@]1(C3=CC=CC=C3)O)C4=CC=CC=C4
InChI: InChI=1S/C22H20O/c1-21(18-11-4-2-5-12-18)16-17-10-8-9-15-20(17)22(21,23)19-13-6-3-7-14-19/h2-15,23H,16H2,1H3/t21-,22-/m0/s1
SMILES: C[C@H](C(=O)NC1=CC=CC=C1C(=O)NC2CC2)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C21H23N3O4/c1-12(24-20(27)14-6-2-3-7-15(14)21(24)28)18(25)23-17-9-5-4-8-16(17)19(26)22-13-10-11-13/h2-5,8-9,12-15H,6-7,10-11H2,1H3,(H,22,26)(H,23,25)/t12-,14+,15+/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@H]3C(=NC(=C2C#N)C)C[C@@H](CC3=O)C4=CC=CC=C4
InChI: InChI=1S/C24H22N2O/c1-15-8-10-18(11-9-15)23-20(14-25)16(2)26-21-12-19(13-22(27)24(21)23)17-6-4-3-5-7-17/h3-11,19,23-24H,12-13H2,1-2H3/t19-,23-,24-/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)COC2=CC=CC=C2OC
InChI: InChI=1S/C18H27N3O3S/c1-12-7-6-8-14(13(12)2)19-18(25)21-20-17(22)11-24-16-10-5-4-9-15(16)23-3/h4-5,9-10,12-14H,6-8,11H2,1-3H3,(H,20,22)(H2,19,21,25)/t12-,13-,14-/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3CCCCC3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])[C@@H](C)O
InChI: InChI=1S/C23H28N2O6S/c1-13-19-18(14(2)26)22(27)24(19)20(21(13)32-17-6-4-3-5-7-17)23(28)31-12-15-8-10-16(11-9-15)25(29)30/h8-11,13-14,17-19,26H,3-7,12H2,1-2H3/t13-,14-,18-,19-/m1/s1
SMILES: C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@@]3([C@H]2CC=C4[C@H]3CC[C@@H](C4(C)C)O)C)C)C
InChI: InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-16-17-30(8)25-14-12-23-24(13-15-26(31)27(23,4)5)28(25,6)18-19-29(22,30)7/h10,12,21-22,24-26,31H,9,11,13-19H2,1-8H3/t21-,22-,24-,25-,26+,28+,29-,30+/m1/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](C2=O)C4(C(=O)C5=CC=CC=C5C4=O)O[C@H]3C6=C(C=C(C=C6)Cl)Cl
InChI: InChI=1S/C29H19Cl2NO7/c1-2-38-28(37)14-7-10-16(11-8-14)32-26(35)21-22(27(32)36)29(24(33)17-5-3-4-6-18(17)25(29)34)39-23(21)19-12-9-15(30)13-20(19)31/h3-13,21-23H,2H2,1H3/t21-,22+,23-/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)CC(=O)NC4=CC=C(C=C4)I
InChI: InChI=1S/C17H15IN2O3/c18-11-3-5-12(6-4-11)19-13(21)8-20-16(22)14-9-1-2-10(7-9)15(14)17(20)23/h1-6,9-10,14-15H,7-8H2,(H,19,21)/t9-,10+,14+,15-
SMILES: C[C@@]1([C@](O[C@@](C(=O)O1)(CC2=CC=CC=C2)[C@@H](C[N+](=O)[O-])C3=CC=CC=C3)(C)OC)OC
InChI: InChI=1S/C23H27NO7/c1-21(28-3)22(2,29-4)31-23(20(25)30-21,15-17-11-7-5-8-12-17)19(16-24(26)27)18-13-9-6-10-14-18/h5-14,19H,15-16H2,1-4H3/t19-,21+,22+,23-/m0/s1
SMILES: CC1=NN([C@]2([C@@H]1[C@H]3[C@@H](C2)C3(C)C)O)C(=O)C
InChI: InChI=1S/C12H18N2O2/c1-6-9-10-8(11(10,3)4)5-12(9,16)14(13-6)7(2)15/h8-10,16H,5H2,1-4H3/t8-,9+,10-,12+/m1/s1
SMILES: CCSC1=NC2=C(C(=N1)Cl)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C18H21ClN4O7S/c1-5-31-18-21-15(19)12-16(22-18)23(7-20-12)17-14(29-10(4)26)13(28-9(3)25)11(30-17)6-27-8(2)24/h7,11,13-14,17H,5-6H2,1-4H3/t11-,13-,14-,17-/m1/s1
SMILES: CC[Si](CC)(CC)O[C@H](C[C@H](C)C(/C=C/[C@@]1([C@H](O1)CC[C@@H](COCC2=CC=C(C=C2)OC)O[Si](C)(C)C(C)(C)C)C)O)COCC3=CC=CC=C3
InChI: InChI=1S/C42H70O7Si2/c1-12-51(13-2,14-3)49-38(32-46-29-34-18-16-15-17-19-34)28-33(4)39(43)26-27-42(8)40(47-42)25-24-37(48-50(10,11)41(5,6)7)31-45-30-35-20-22-36(44-9)23-21-35/h15-23,26-27,33,37-40,43H,12-14,24-25,28-32H2,1-11H3/b27-26+/t33-,37-,38+,39?,40+,42+/m0/s1
SMILES: COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)Br)Cl)O[C@H]4CO[C@H]5[C@@H]4OCC56OCCO6
InChI: InChI=1S/C23H21BrClN3O6/c1-29-17-7-13-16(26-11-27-22(13)28-12-2-3-14(24)15(25)6-12)8-18(17)34-19-9-30-21-20(19)31-10-23(21)32-4-5-33-23/h2-3,6-8,11,19-21H,4-5,9-10H2,1H3,(H,26,27,28)/t19-,20+,21-/m0/s1