EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCCCCCCCCCCO[C@@H]1[C@@H]2[C@H](O[C@@H]1C(CN3CCCCCC3)OC(=O)NC4=CC=C(C=C4)CC(=O)OC)OC(O2)(C)C
InChI: InChI=1S/C37H60N2O8/c1-5-6-7-8-9-10-11-12-15-18-25-43-33-32(45-35-34(33)46-37(2,3)47-35)30(27-39-23-16-13-14-17-24-39)44-36(41)38-29-21-19-28(20-22-29)26-31(40)42-4/h19-22,30,32-35H,5-18,23-27H2,1-4H3,(H,38,41)/t30?,32-,33+,34-,35-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC=CC2=O)CCC4=CC(=C(C=C34)Br)O
InChI: InChI=1S/C19H21BrO2/c1-19-8-7-12-13(15(19)3-2-4-18(19)22)6-5-11-9-17(21)16(20)10-14(11)12/h2,4,9-10,12-13,15,21H,3,5-8H2,1H3/t12-,13+,15-,19-/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H](COC([C@@H]1OC(=O)C)OC(=O)C)OCC=C
InChI: InChI=1S/C14H20O8/c1-5-6-18-11-7-19-14(22-10(4)17)13(21-9(3)16)12(11)20-8(2)15/h5,11-14H,1,6-7H2,2-4H3/t11-,12+,13-,14?/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CCC[C@@H]2O[Si](C)(C)C(C)(C)C)C)[C@H](C=C)OC(=O)C(C)OCC3=CC=C(C=C3)OC
InChI: InChI=1S/C32H52O5Si/c1-11-28(36-30(33)23(3)35-21-24-14-16-25(34-8)17-15-24)22(2)26-18-19-27-29(13-12-20-32(26,27)7)37-38(9,10)31(4,5)6/h11,14-17,22-23,26-29H,1,12-13,18-21H2,2-10H3/t22-,23?,26+,27-,28-,29-,32+/m0/s1
SMILES: C/C(=C\CCC(=O)CC(=O)OC)/CC[C@H]1[C@](O1)(C)COCC2=CC=CC=C2
InChI: InChI=1S/C22H30O5/c1-17(8-7-11-19(23)14-21(24)25-3)12-13-20-22(2,27-20)16-26-15-18-9-5-4-6-10-18/h4-6,8-10,20H,7,11-16H2,1-3H3/b17-8+/t20-,22-/m0/s1
SMILES: CC1=C2C(=CC=C1)[C@]3([C@H]4[C@@H]([C@H](N3)CCC(=O)O)C(=O)N(C4=O)C5CCCCC5)C(=O)N2
InChI: InChI=1S/C23H27N3O5/c1-12-6-5-9-14-19(12)24-22(31)23(14)18-17(15(25-23)10-11-16(27)28)20(29)26(21(18)30)13-7-3-2-4-8-13/h5-6,9,13,15,17-18,25H,2-4,7-8,10-11H2,1H3,(H,24,31)(H,27,28)/t15-,17-,18+,23+/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)O[C@@H]3[C@H](O[C@H]([C@@H]3OC(=O)C4=CC=C(C=C4)C(=O)C5=CC=CC=C5)N6C=NC7=C(N=CN=C76)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O
InChI: InChI=1S/C38H32N5O17P3/c39-34-29-35(41-20-40-34)43(21-42-29)36-33(58-38(47)27-17-13-25(14-18-27)31(45)23-9-5-2-6-10-23)32(28(56-36)19-55-62(51,52)60-63(53,54)59-61(48,49)50)57-37(46)26-15-11-24(12-16-26)30(44)22-7-3-1-4-8-22/h1-18,20-21,28,32-33,36H,19H2,(H,51,52)(H,53,54)(H2,39,40,41)(H2,48,49,50)/t28-,32-,33-,36-/m1/s1
SMILES: CC(CC=C(C)C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)OC3CCCCO3)OC4CCCCO4
InChI: InChI=1S/C27H42O6/c1-18(2)10-11-19(3)22(32-26-8-4-6-14-29-26)13-12-20-21-16-25(28)31-24(21)17-23(20)33-27-9-5-7-15-30-27/h10,12-13,19-24,26-27H,4-9,11,14-17H2,1-3H3/b13-12+/t19?,20-,21-,22-,23-,24+,26?,27?/m1/s1
SMILES: CC1=CC2=C(C=C1O)[C@@]3([C@@H](C[C@@](C3(C)C)(O2)O)O)C
InChI: InChI=1S/C15H20O4/c1-8-5-11-9(6-10(8)16)14(4)12(17)7-15(18,19-11)13(14,2)3/h5-6,12,16-18H,7H2,1-4H3/t12-,14-,15+/m1/s1
SMILES: CC1([C@H](O[C@H]2[C@@H]([C@H]1OC)OCO[C@H]2C(=O)O)C[C@@H](CO[Si](C)(C)C(C)(C)C)OC)C
InChI: InChI=1S/C21H40O8Si/c1-20(2,3)30(8,9)28-11-13(24-6)10-14-21(4,5)18(25-7)16-15(29-14)17(19(22)23)27-12-26-16/h13-18H,10-12H2,1-9H3,(H,22,23)/t13-,14+,15-,16-,17+,18+/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=CC(=CC=C4)OC(=O)C5=CC=CC=C5Cl
InChI: InChI=1S/C22H18ClNO4/c23-17-7-2-1-6-16(17)22(27)28-15-5-3-4-14(11-15)24-20(25)18-12-8-9-13(10-12)19(18)21(24)26/h1-7,11-13,18-19H,8-10H2/t12-,13+,18-,19-/m0/s1
SMILES: C1[C@H]2C=C[C@@H]1[C@@H]([C@@H]2C(=O)NC3=C(C=C(C=C3)Br)F)C(=O)O
InChI: InChI=1S/C15H13BrFNO3/c16-9-3-4-11(10(17)6-9)18-14(19)12-7-1-2-8(5-7)13(12)15(20)21/h1-4,6-8,12-13H,5H2,(H,18,19)(H,20,21)/t7-,8+,12-,13+/m1/s1
SMILES: C[C@]12C=C[C@](O1)([C@H]3[C@@H]2C(=O)N(C3=O)C4=C(C=C(C=C4)[N+](=O)[O-])Br)C
InChI: InChI=1S/C16H13BrN2O5/c1-15-5-6-16(2,24-15)12-11(15)13(20)18(14(12)21)10-4-3-8(19(22)23)7-9(10)17/h3-7,11-12H,1-2H3/t11-,12+,15-,16+
SMILES: CC(=O)CCCC(=O)N(CC1=CC=CC=C1)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=CC=CC=C3I)C(=O)NCCO
InChI: InChI=1S/C28H33IN2O6/c1-19(33)8-7-13-26(34)31(18-20-9-3-2-4-10-20)23-16-21(28(36)30-14-15-32)17-25(27(23)35)37-24-12-6-5-11-22(24)29/h2-6,9-12,17,23,25,27,32,35H,7-8,13-16,18H2,1H3,(H,30,36)/t23-,25+,27+/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@H]2CC(=O)OCC3=NC4=C(C(=CS4)C5=CC=CC=C5Cl)C(=O)N3
InChI: InChI=1S/C22H21ClN2O3S/c23-17-4-2-1-3-15(17)16-11-29-22-20(16)21(27)24-18(25-22)10-28-19(26)9-14-8-12-5-6-13(14)7-12/h1-4,11-14H,5-10H2,(H,24,25,27)/t12-,13+,14-/m0/s1
SMILES: C1=CC=C(C=C1)S(=O)(=O)N[C@@H]2[C@@H](C3=CC=CC4=C3C2=CC=C4)SC5=NC6=CC=CC=C6O5
InChI: InChI=1S/C25H18N2O3S2/c28-32(29,17-10-2-1-3-11-17)27-23-18-12-6-8-16-9-7-13-19(22(16)18)24(23)31-25-26-20-14-4-5-15-21(20)30-25/h1-15,23-24,27H/t23-,24+/m0/s1
SMILES: C[C@]12C=CC3=C4CCC(=O)C=C4CCC3C1CC[C@]2(C(C(F)(F)F)(F)F)O
InChI: InChI=1S/C20H21F5O2/c1-17-8-6-14-13-5-3-12(26)10-11(13)2-4-15(14)16(17)7-9-18(17,27)19(21,22)20(23,24)25/h6,8,10,15-16,27H,2-5,7,9H2,1H3/t15?,16?,17-,18-/m0/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)C2=CN(N=N2)C[C@H]3C[C@@H]4CC[NH+]3C[C@@H]4C(=O)NC5CCCCC5
InChI: InChI=1S/C27H39N5O/c1-27(2,3)21-11-9-19(10-12-21)25-18-32(30-29-25)16-23-15-20-13-14-31(23)17-24(20)26(33)28-22-7-5-4-6-8-22/h9-12,18,20,22-24H,4-8,13-17H2,1-3H3,(H,28,33)/p+1/t20-,23+,24-/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O)OC(=O)C)OC3=CC=C(C=C3)OC)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C
InChI: InChI=1S/C39H44O9Si/c1-26-17-19-28(20-18-26)37(42)48-35-33(47-38(36(34(35)41)45-27(2)40)46-30-23-21-29(43-6)22-24-30)25-44-49(39(3,4)5,31-13-9-7-10-14-31)32-15-11-8-12-16-32/h7-24,33-36,38,41H,25H2,1-6H3/t33-,34+,35+,36-,38-/m1/s1
SMILES: C1CCC2(CC1)OC[C@@H](O2)[C@H]3C=CC[C@H]4[C@H](O3)CCCO4
InChI: InChI=1S/C17H26O4/c1-2-9-17(10-3-1)19-12-16(21-17)15-7-4-6-13-14(20-15)8-5-11-18-13/h4,7,13-16H,1-3,5-6,8-12H2/t13-,14+,15+,16+/m0/s1
SMILES: C1CC12CN(C[C@H]2N)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)[C@@H]5C[C@H]5F)F
InChI: InChI=1S/C19H18ClF2N3O3/c20-14-15-8(17(26)9(18(27)28)5-25(15)12-4-10(12)21)3-11(22)16(14)24-6-13(23)19(7-24)1-2-19/h3,5,10,12-13H,1-2,4,6-7,23H2,(H,27,28)/t10-,12-,13-/m1/s1
SMILES: CC[C@]1([C@@H]2[C@@H]([C@@H]([NH2+]1)C3=CC=C(C=C3)Cl)C(=O)N(C2=O)CC)C(=O)OCC
InChI: InChI=1S/C19H23ClN2O4/c1-4-19(18(25)26-6-3)14-13(16(23)22(5-2)17(14)24)15(21-19)11-7-9-12(20)10-8-11/h7-10,13-15,21H,4-6H2,1-3H3/p+1/t13-,14+,15-,19-/m0/s1
SMILES: C[C@]12CCC(=O)C(=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C(C(F)(F)F)(F)F)O)C)O
InChI: InChI=1S/C21H27F5O3/c1-17-8-7-15(27)16(28)14(17)4-3-11-12(17)5-9-18(2)13(11)6-10-19(18,29)20(22,23)21(24,25)26/h11-13,28-29H,3-10H2,1-2H3/t11-,12+,13+,17-,18+,19+/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)CO
InChI: InChI=1S/C26H32N2O6Si/c1-26(2,3)35(18-10-6-4-7-11-18,19-12-8-5-9-13-19)33-17-21-20(16-29)23(31)24(34-21)28-15-14-22(30)27-25(28)32/h4-15,20-21,23-24,29,31H,16-17H2,1-3H3,(H,27,30,32)/t20-,21-,23-,24-/m1/s1
SMILES: CC1(C[C@@H]([C@@H]([C@@]23[C@H]1C(=O)C=C([C@@H]2C(=O)OC3)C=O)OCOC)OCOC)C
InChI: InChI=1S/C19H26O8/c1-18(2)6-13(26-9-23-3)16(27-10-24-4)19-8-25-17(22)14(19)11(7-20)5-12(21)15(18)19/h5,7,13-16H,6,8-10H2,1-4H3/t13-,14+,15-,16-,19+/m0/s1
SMILES: CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)C(=O)O)C
InChI: InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1
SMILES: C1[C@@H]([C@H]([C@@H]([C@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)CO
InChI: InChI=1S/C27H30O4/c28-17-24-16-25(29-18-21-10-4-1-5-11-21)27(31-20-23-14-8-3-9-15-23)26(24)30-19-22-12-6-2-7-13-22/h1-15,24-28H,16-20H2/t24-,25+,26-,27-/m1/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3)NC(=O)C4=C(C=C(C=C4)Cl)Cl)C(=O)[O-]
InChI: InChI=1S/C20H16Cl2N2O3/c21-10-4-6-14(16(22)8-10)19(25)23-11-5-7-17-15(9-11)12-2-1-3-13(12)18(24-17)20(26)27/h1-2,4-9,12-13,18,24H,3H2,(H,23,25)(H,26,27)/p-1/t12-,13+,18-/m1/s1
SMILES: CN1C(=O)N2CC=CC(N2C1=O)C3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\OC)/C5=CSC(=N5)N)SC3)C(=O)O
InChI: InChI=1S/C20H20N8O7S2/c1-25-19(33)26-5-3-4-10(28(26)20(25)34)8-6-36-16-12(15(30)27(16)13(8)17(31)32)23-14(29)11(24-35-2)9-7-37-18(21)22-9/h3-4,7,10,12,16H,5-6H2,1-2H3,(H2,21,22)(H,23,29)(H,31,32)/b24-11-/t10?,12-,16-/m1/s1
SMILES: C[C@@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@](C4=O)(O/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]1O)C)O)C)OC(=O)C)C)OC)C)C(=C2[N+](=O)[O-])O)O)/C
InChI: InChI=1S/C37H46N2O14/c1-15-11-10-12-16(2)36(47)38-26-27(39(48)49)32(45)23-24(31(26)44)30(43)20(6)34-25(23)35(46)37(8,53-34)51-14-13-22(50-9)17(3)33(52-21(7)40)19(5)29(42)18(4)28(15)41/h10-15,17-19,22,28-29,33,41-45H,1-9H3,(H,38,47)/b11-10+,14-13+,16-12-/t15-,17+,18-,19+,22+,28-,29+,33-,37-/m1/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)NCCC(C)C
InChI: InChI=1S/C18H29N3O5/c1-12(2)7-9-19-14(22)11-26-15(23)10-21-16(24)18(20-17(21)25)8-5-4-6-13(18)3/h12-13H,4-11H2,1-3H3,(H,19,22)(H,20,25)/t13-,18+/m0/s1
SMILES: C[C@@]1(CC[C@]23[C@@]14C[C@](O2)([C@]([C@]3(COC(=O)[C@@H]4O)C)(C)O)O)O
InChI: InChI=1S/C15H22O7/c1-10-7-21-9(17)8(16)13-6-15(20,12(10,3)19)22-14(10,13)5-4-11(13,2)18/h8,16,18-20H,4-7H2,1-3H3/t8-,10+,11-,12+,13+,14-,15-/m0/s1
SMILES: CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@@H]2CO[C@H]3[C@@H]2CCO3)O)S(=O)(=O)C4=CC5=C(C=C4)N=C(S5)NC(=O)CN6CCCC6
InChI: InChI=1S/C34H45N5O8S2/c1-22(2)18-39(49(43,44)24-10-11-26-30(17-24)48-33(35-26)37-31(41)20-38-13-6-7-14-38)19-28(40)27(16-23-8-4-3-5-9-23)36-34(42)47-29-21-46-32-25(29)12-15-45-32/h3-5,8-11,17,22,25,27-29,32,40H,6-7,12-16,18-21H2,1-2H3,(H,36,42)(H,35,37,41)/t25-,27+,28-,29-,32+/m1/s1
SMILES: CCN(CC)C1=NS(=O)(=O)[C@@H]2[C@]1(N=NC2(C)C)C3=CC=C(C=C3)OC
InChI: InChI=1S/C17H24N4O3S/c1-6-21(7-2)15-17(12-8-10-13(24-5)11-9-12)14(25(22,23)18-15)16(3,4)19-20-17/h8-11,14H,6-7H2,1-5H3/t14-,17+/m0/s1
SMILES: C1C[C@H]2[C@@H]([C@@](C1)(C(=O)O2)[C@@H](C3=CC=CC=C3)O)C4=CC=CC=C4
InChI: InChI=1S/C20H20O3/c21-18(15-10-5-2-6-11-15)20-13-7-12-16(23-19(20)22)17(20)14-8-3-1-4-9-14/h1-6,8-11,16-18,21H,7,12-13H2/t16-,17-,18+,20+/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CN5C(=O)C6=CC=CC=C6C5=O)CSC7=CC=CC=N7
InChI: InChI=1S/C39H34N2O5S/c1-25-34(24-47-35-12-6-7-21-40-35)45-39(46-36(25)28-15-13-26(23-42)14-16-28)29-19-17-27(18-20-29)31-9-3-2-8-30(31)22-41-37(43)32-10-4-5-11-33(32)38(41)44/h2-21,25,34,36,39,42H,22-24H2,1H3/t25-,34+,36+,39+/m0/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)OCC3=NN=C(O3)C4=CC=CC(=C4)C
InChI: InChI=1S/C21H24N4O5/c1-13-6-5-8-15(10-13)18-24-23-16(30-18)12-29-17(26)11-25-19(27)21(22-20(25)28)9-4-3-7-14(21)2/h5-6,8,10,14H,3-4,7,9,11-12H2,1-2H3,(H,22,28)/t14-,21+/m1/s1
SMILES: C1=CC=C(C=C1)C2([C@H]([C@H]2C(=O)[O-])C(=O)[O-])C3=CC=CC=C3
InChI: InChI=1S/C17H14O4/c18-15(19)13-14(16(20)21)17(13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H,(H,18,19)(H,20,21)/p-2/t13-,14+
SMILES: CC(=O)O[C@H]1[C@H]2[C@@H](C(=C)[C@]34[C@@]1([C@@H](C[C@H]3O4)C5=CCNC5=O)C)[C@](C=CC(=O)O2)(C)[C@H]6CC(=O)OC6(C)C
InChI: InChI=1S/C28H33NO8/c1-13-21-22(35-19(31)7-9-26(21,5)17-12-20(32)37-25(17,3)4)23(34-14(2)30)27(6)16(11-18-28(13,27)36-18)15-8-10-29-24(15)33/h7-9,16-18,21-23H,1,10-12H2,2-6H3,(H,29,33)/t16-,17-,18+,21+,22+,23-,26-,27+,28+/m0/s1
SMILES: C1CN(CCN1C2=CC=C(C=C2)O)C(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C21H25N3O4/c25-16-7-5-15(6-8-16)22-11-13-23(14-12-22)19(26)9-10-24-20(27)17-3-1-2-4-18(17)21(24)28/h1-2,5-8,17-18,25H,3-4,9-14H2/t17-,18-/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C[C@@H]4CCCO4
InChI: InChI=1S/C23H31N3O3S/c1-15-7-5-11-19(16(15)2)24-21(27)14-30-23-25-20-10-4-3-9-18(20)22(28)26(23)13-17-8-6-12-29-17/h3-4,9-10,15-17,19H,5-8,11-14H2,1-2H3,(H,24,27)/t15-,16-,17+,19-/m1/s1
SMILES: C1C[C@H]2[C@@H]3CC[C@@H]([C@H]1C3)OCCOCCOCCOCCOCCO2
InChI: InChI=1S/C19H34O6/c1-3-18-17-2-4-19(16(1)15-17)25-14-12-23-10-8-21-6-5-20-7-9-22-11-13-24-18/h16-19H,1-15H2/t16-,17-,18+,19+/m1/s1
SMILES: C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2N/N=C\4/[C@H]5C=CC=C[C@H]5NC4=O
InChI: InChI=1S/C22H17N5O2/c28-20-19(15-10-4-6-12-17(15)23-20)25-26-22-24-18-13-7-5-11-16(18)21(29)27(22)14-8-2-1-3-9-14/h1-13,15,17H,(H,23,28)(H,24,26)/b25-19-/t15-,17+/m0/s1
SMILES: COC1=CC=C(C=C1)CN2[C@@H]3[C@H](C[C@@H]([C@H]3F)C2=O)Br
InChI: InChI=1S/C14H15BrFNO2/c1-19-9-4-2-8(3-5-9)7-17-13-11(15)6-10(12(13)16)14(17)18/h2-5,10-13H,6-7H2,1H3/t10-,11-,12+,13+/m0/s1
SMILES: C1=CC=C(C=C1)CN[C@@H]2[C@H](OC3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI: InChI=1S/C22H19NO2/c24-21-18-13-7-8-14-19(18)25-22(17-11-5-2-6-12-17)20(21)23-15-16-9-3-1-4-10-16/h1-14,20,22-23H,15H2/t20-,22+/m0/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N/OCF)/C3=NSC(=N3)N)C(=O)[O-])C[N+]4=C5C=CC=C(N5C=C4)N
InChI: InChI=1S/C20H18FN9O5S2/c21-8-35-26-12(15-25-20(23)37-27-15)16(31)24-13-17(32)30-14(19(33)34)9(7-36-18(13)30)6-28-4-5-29-10(22)2-1-3-11(28)29/h1-5,13,18,22H,6-8H2,(H4,23,24,25,27,31,33,34)/b26-12+/t13-,18-/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CCC(C(=O)OC)C(=O)OC)[C@]4(C2=O)[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC=C(C=C6)O)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)N9CCCCCCC9
InChI: InChI=1S/C57H56N4O10/c1-36(38-20-10-7-11-21-38)58-56(68)60-45-32-27-37(19-18-26-43(52(64)69-2)53(65)70-3)35-44(45)57(55(60)67)46(51(63)59-33-16-5-4-6-17-34-59)48-54(66)71-49(40-24-14-9-15-25-40)47(39-22-12-8-13-23-39)61(48)50(57)41-28-30-42(62)31-29-41/h7-15,20-25,27-32,35-36,43,46-50,62H,4-6,16-17,26,33-34H2,1-3H3,(H,58,68)/t36-,46+,47+,48+,49-,50-,57+/m1/s1
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CN3C=C(C(=O)C(=C3)Cl)Cl)SC1)C(=O)O
InChI: InChI=1S/C17H15Cl2N3O7S/c1-7(23)29-5-8-6-30-16-12(15(26)22(16)13(8)17(27)28)20-11(24)4-21-2-9(18)14(25)10(19)3-21/h2-3,12,16H,4-6H2,1H3,(H,20,24)(H,27,28)/t12-,16-/m1/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@@H]5[C@H]([C@H]4C6=CC=CC=C6O)C(=O)N(C5=O)C7=CC(=C(C=C7)C)Cl)Cl
InChI: InChI=1S/C34H28Cl2N2O5/c1-16-7-9-18(13-25(16)35)37-31(40)22-12-11-20-23(29(22)33(37)42)15-24-30(28(20)21-5-3-4-6-27(21)39)34(43)38(32(24)41)19-10-8-17(2)26(36)14-19/h3-11,13-14,22-24,28-30,39H,12,15H2,1-2H3/t22-,23+,24+,28+,29-,30+/m0/s1
SMILES: C1[C@@H]([C@@]1(C(=O)O)NS(=O)(=O)C2=CC=C(S2)C3=NOC(=C3)C(F)(F)F)C4=CC=CC=C4
InChI: InChI=1S/C18H13F3N2O5S2/c19-18(20,21)14-8-12(22-28-14)13-6-7-15(29-13)30(26,27)23-17(16(24)25)9-11(17)10-4-2-1-3-5-10/h1-8,11,23H,9H2,(H,24,25)/t11-,17+/m1/s1
SMILES: C[C@@H]1CC2C3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)OC)OC(=O)C5=C(C=CO5)C)C)O)F)C)F
InChI: InChI=1S/C28H32F2O7/c1-14-7-9-36-22(14)23(33)37-28(24(34)35-5)15(2)10-17-18-12-20(29)19-11-16(31)6-8-25(19,3)27(18,30)21(32)13-26(17,28)4/h6-9,11,15,17-18,20-21,32H,10,12-13H2,1-5H3/t15-,17?,18?,20+,21+,25+,26+,27+,28+/m1/s1
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3C2C[C@@H](C4=CC(=O)CC[C@]34C)F)C)Br
InChI: InChI=1S/C21H28BrFO2/c1-12(24)21(22)9-6-16-14-11-18(23)17-10-13(25)4-7-19(17,2)15(14)5-8-20(16,21)3/h10,14-16,18H,4-9,11H2,1-3H3/t14?,15-,16-,18-,19+,20-,21-/m0/s1
SMILES: C1=CC2=C([C@H]([C@H]1O)O)C3=C(C=C2)C4=C(S3)C=C[C@@H]([C@@H]4O)O
InChI: InChI=1S/C16H14O4S/c17-9-4-2-7-1-3-8-13-11(6-5-10(18)15(13)20)21-16(8)12(7)14(9)19/h1-6,9-10,14-15,17-20H/t9-,10-,14-,15-/m0/s1
SMILES: C[C@H](CO)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C3C4=C(CC[C@@H](C4)O)CS3(=O)=O)C
InChI: InChI=1S/C22H34O4S/c1-14(12-23)19-7-8-20-15(4-3-9-22(19,20)2)10-21-18-11-17(24)6-5-16(18)13-27(21,25)26/h10,14,17,19-21,23-24H,3-9,11-13H2,1-2H3/b15-10+/t14-,17+,19-,20+,21?,22-/m1/s1
SMILES: CC1(C(=O)[C@H]2[C@@H](O1)COC3=CC(=C4C(=O)C=C(OC4=C23)C5=CC=CC=C5)OC)C
InChI: InChI=1S/C23H20O6/c1-23(2)22(25)20-17(29-23)11-27-16-10-15(26-3)18-13(24)9-14(28-21(18)19(16)20)12-7-5-4-6-8-12/h4-10,17,20H,11H2,1-3H3/t17-,20-/m0/s1
SMILES: CC[C@@]1([C@H]2C[C@H](C(=O)N2C[C@@H]1OC(=O)C)O)C3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C19H25NO6/c1-5-19(12-6-7-14(24-3)15(8-12)25-4)16-9-13(22)18(23)20(16)10-17(19)26-11(2)21/h6-8,13,16-17,22H,5,9-10H2,1-4H3/t13-,16-,17+,19+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)SC2=NN=NN2C3=CC=C(C=C3)C(C)C
InChI: InChI=1S/C20H29N5OS/c1-13(2)16-9-11-17(12-10-16)25-20(22-23-24-25)27-15(4)19(26)21-18-8-6-5-7-14(18)3/h9-15,18H,5-8H2,1-4H3,(H,21,26)/t14-,15-,18-/m1/s1
SMILES: CCCCCCCCCCCCC(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)Br
InChI: InChI=1S/C35H61BrN7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-23(36)34(48)64-18-17-38-25(44)15-16-39-32(47)29(46)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-28(59-61(49,50)51)27(45)33(58-24)43-22-42-26-30(37)40-21-41-31(26)43/h21-24,27-29,33,45-46H,4-20H2,1-3H3,(H,38,44)(H,39,47)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/t23?,24-,27-,28-,29?,33-/m1/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)C[C@H]2OC(=O)C3=CC4=C(C=CC(=C4)Cl)OC3=O
InChI: InChI=1S/C20H21ClO4/c1-19(2)12-6-7-20(19,3)16(10-12)25-18(23)14-9-11-8-13(21)4-5-15(11)24-17(14)22/h4-5,8-9,12,16H,6-7,10H2,1-3H3/t12-,16-,20+/m1/s1
SMILES: C[C@@]12CCC[C@@](C1=C(C(=O)[C@]34[C@H]2CC5[C@H](C3)C5(C4)C)O)(C)C(=O)OC
InChI: InChI=1S/C21H28O4/c1-18-6-5-7-19(2,17(24)25-4)15(18)14(22)16(23)21-9-12-11(8-13(18)21)20(12,3)10-21/h11-13,22H,5-10H2,1-4H3/t11?,12-,13-,18-,19+,20?,21+/m0/s1
SMILES: C[C@@H](C(=O)O[C@H](C)C(=O)C1=CC=C(C=C1)OC)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C21H23NO6/c1-12(22-19(24)16-6-4-5-7-17(16)20(22)25)21(26)28-13(2)18(23)14-8-10-15(27-3)11-9-14/h4-5,8-13,16-17H,6-7H2,1-3H3/t12-,13+,16-,17+/m0/s1
SMILES: CC(C)CC1=NC2=C(C=C1)C(=N)[C@H]3[C@@H](S2)C(=O)N(C3=O)C4=CC=CC=C4
InChI: InChI=1S/C20H19N3O2S/c1-11(2)10-12-8-9-14-16(21)15-17(26-18(14)22-12)20(25)23(19(15)24)13-6-4-3-5-7-13/h3-9,11,15,17,21H,10H2,1-2H3/t15-,17+/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC(=C(C(=C5)Cl)O)OC)C(=O)N(C4=O)C6=CC=C(C=C6)NC7=CC=CC=C7
InChI: InChI=1S/C36H29ClN2O6/c1-18-14-28(40)32-26(33(18)41)17-25-23(30(32)19-15-27(37)34(42)29(16-19)45-2)12-13-24-31(25)36(44)39(35(24)43)22-10-8-21(9-11-22)38-20-6-4-3-5-7-20/h3-12,14-16,24-25,30-31,38,42H,13,17H2,1-2H3/t24-,25+,30-,31-/m0/s1
SMILES: COC(=O)C1=C[C@@H]2[C@@H]([C@@H]3[C@H]1[C@](C2=O)(OC3)OC)C=C
InChI: InChI=1S/C14H16O5/c1-4-7-8-5-9(13(16)17-2)11-10(7)6-19-14(11,18-3)12(8)15/h4-5,7-8,10-11H,1,6H2,2-3H3/t7-,8+,10+,11-,14+/m0/s1
SMILES: CCOC1=CC2=C(C(=C1)[N+](=O)[O-])N[C@@H]([C@@H]3[C@H]2C=CC3)[C@@H]4CCC=CC4
InChI: InChI=1S/C20H24N2O3/c1-2-25-14-11-17-15-9-6-10-16(15)19(13-7-4-3-5-8-13)21-20(17)18(12-14)22(23)24/h3-4,6,9,11-13,15-16,19,21H,2,5,7-8,10H2,1H3/t13-,15+,16-,19+/m0/s1
SMILES: CNCCCCN1CC[C@@H]([C@@H](C1)OC)NC(=O)C2=CC(=C(C=C2OC)N)Cl
InChI: InChI=1S/C19H31ClN4O3/c1-22-7-4-5-8-24-9-6-16(18(12-24)27-3)23-19(25)13-10-14(20)15(21)11-17(13)26-2/h10-11,16,18,22H,4-9,12,21H2,1-3H3,(H,23,25)/t16-,18+/m0/s1
SMILES: COC1=CC2=C(C=C1)[C@H]3CC(=O)C(=C)[C@@]3(CC2)C(F)(F)F
InChI: InChI=1S/C16H15F3O2/c1-9-14(20)8-13-12-4-3-11(21-2)7-10(12)5-6-15(9,13)16(17,18)19/h3-4,7,13H,1,5-6,8H2,2H3/t13-,15-/m1/s1
SMILES: CC1=C(C(=O)N(N=C1C)CC(=O)N2CC[C@H]3CCCC[C@@H]3C2)C#N
InChI: InChI=1S/C18H24N4O2/c1-12-13(2)20-22(18(24)16(12)9-19)11-17(23)21-8-7-14-5-3-4-6-15(14)10-21/h14-15H,3-8,10-11H2,1-2H3/t14-,15-/m1/s1
SMILES: C1C[C@H]2C[C@@H]1C[C@@]23C(=CC4=CC=CC=C4O3)[N+](=O)[O-]
InChI: InChI=1S/C15H15NO3/c17-16(18)14-8-11-3-1-2-4-13(11)19-15(14)9-10-5-6-12(15)7-10/h1-4,8,10,12H,5-7,9H2/t10-,12+,15+/m1/s1
SMILES: C1CCC(CC1)N2C(=O)[C@]3(CC4=C(C=CC(=C4)[N+](=O)[O-])N5[C@H]3CCC5)C(=O)NC2=O
InChI: InChI=1S/C21H24N4O5/c26-18-21(19(27)24(20(28)22-18)14-5-2-1-3-6-14)12-13-11-15(25(29)30)8-9-16(13)23-10-4-7-17(21)23/h8-9,11,14,17H,1-7,10,12H2,(H,22,26,28)/t17-,21-/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)C)[N+](=O)[O-]
InChI: InChI=1S/C26H20N2O4/c1-14-11-12-15(13-20(14)28(31)32)27-24(29)22-21-16-7-3-5-9-18(16)26(2,23(22)25(27)30)19-10-6-4-8-17(19)21/h3-13,21-23H,1-2H3/t21?,22-,23+,26?/m1/s1
SMILES: CN1C(=O)[C@@H]2[C@H](C1=O)[C@](N[C@@H]2C3=CC=C(C=C3)F)(C4=CC=CC=C4)C(=O)OC
InChI: InChI=1S/C21H19FN2O4/c1-24-18(25)15-16(19(24)26)21(20(27)28-2,13-6-4-3-5-7-13)23-17(15)12-8-10-14(22)11-9-12/h3-11,15-17,23H,1-2H3/t15-,16-,17-,21-/m1/s1
SMILES: C[C@H]1C[C@H]1C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCCO4
InChI: InChI=1S/C20H17N3O6/c1-11-6-14(11)17-3-2-13(29-17)7-12(10-21)20(24)22-15-8-18-19(28-5-4-27-18)9-16(15)23(25)26/h2-3,7-9,11,14H,4-6H2,1H3,(H,22,24)/b12-7+/t11-,14+/m0/s1
SMILES: CC1=NN(C(=C1C(=O)OCC(=O)N2CC[C@H]3CCCC[C@@H]3C2)Cl)C4=CC=CC=C4
InChI: InChI=1S/C22H26ClN3O3/c1-15-20(21(23)26(24-15)18-9-3-2-4-10-18)22(28)29-14-19(27)25-12-11-16-7-5-6-8-17(16)13-25/h2-4,9-10,16-17H,5-8,11-14H2,1H3/t16-,17-/m1/s1
SMILES: CC(C)(C)N1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@]4(C(=O)N(C(=O)[C@]4([C@H]3C5=C(C=CC(=C5)Cl)O)Cl)C6=CC=C(C=C6)F)Cl
InChI: InChI=1S/C30H26Cl3FN2O5/c1-28(2,3)36-24(38)18-10-9-17-20(22(18)25(36)39)13-29(32)26(40)35(16-7-5-15(34)6-8-16)27(41)30(29,33)23(17)19-12-14(31)4-11-21(19)37/h4-9,11-12,18,20,22-23,37H,10,13H2,1-3H3/t18-,20+,22-,23+,29+,30-/m0/s1
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)N[C@H](CO)C(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O
InChI: InChI=1S/C39H41NO20/c1-10-4-16-23(30(49)20(10)36(53)40-17(8-41)37(54)55)22-14(7-15-24(31(22)50)27(46)13-5-12(56-3)6-18(42)21(13)26(15)45)28(47)34(16)59-39-33(52)35(25(44)11(2)58-39)60-38-32(51)29(48)19(43)9-57-38/h4-7,11,17,19,25,28-29,32-35,38-39,41-44,47-52H,8-9H2,1-3H3,(H,40,53)(H,54,55)/t11-,17-,19-,25+,28+,29+,32-,33-,34+,35+,38+,39+/m1/s1
SMILES: C[C@@H]([C@H](C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)NC(=O)[C@]12C[C@@H]3[C@H]4[C@@H]([C@H]1ON([C@H]2C(=O)O3)CC5=CC=CC=C5I)OC6(O4)CC7=CC=CC=C7C6)O
InChI: InChI=1S/C38H46IN3O11/c1-20(44)28(33(46)40-24(19-43)13-14-27(45)50-36(2,3)4)41-35(48)38-17-26-29-30(52-37(51-29)15-21-9-5-6-10-22(21)16-37)32(38)53-42(31(38)34(47)49-26)18-23-11-7-8-12-25(23)39/h5-12,20,24,26,28-32,43-44H,13-19H2,1-4H3,(H,40,46)(H,41,48)/t20-,24-,26+,28+,29-,30-,31-,32+,38-/m0/s1
SMILES: CCCCCCCCCCCC(=O)N(CC(F)(F)F)[C@@H]1C=C([C@H]2[C@@H]([C@H]1O)OC3=C2C=C(C=C3OC)C=O)C(=O)NCCO
InChI: InChI=1S/C31H43F3N2O7/c1-3-4-5-6-7-8-9-10-11-12-25(39)36(19-31(32,33)34)23-17-22(30(41)35-13-14-37)26-21-15-20(18-38)16-24(42-2)28(21)43-29(26)27(23)40/h15-18,23,26-27,29,37,40H,3-14,19H2,1-2H3,(H,35,41)/t23-,26+,27+,29+/m1/s1
SMILES: CC(=O)N1[C@@H](C2[C@H]3[C@@H](C1[C@H](O2)CC=C)OC(O3)(C)C)O
InChI: InChI=1S/C14H21NO5/c1-5-6-8-9-10-11(20-14(3,4)19-10)12(18-8)13(17)15(9)7(2)16/h5,8-13,17H,1,6H2,2-4H3/t8-,9?,10-,11-,12?,13-/m1/s1
SMILES: CCSC1C[C@@]2([C@@H](CC3=C2C4=CC=CC=C4N3C(=O)OC)C(=O)OC)N(C1=O)CC5=CC=CC=C5
InChI: InChI=1S/C27H28N2O5S/c1-4-35-22-15-27(28(24(22)30)16-17-10-6-5-7-11-17)19(25(31)33-2)14-21-23(27)18-12-8-9-13-20(18)29(21)26(32)34-3/h5-13,19,22H,4,14-16H2,1-3H3/t19-,22?,27-/m0/s1
SMILES: CC(C)[C@H]1[C@@H](C=C(OC1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C20H20O2/c1-14(2)19-17(15-9-5-3-6-10-15)13-18(22-20(19)21)16-11-7-4-8-12-16/h3-14,17,19H,1-2H3/t17-,19-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC2=C3C(=CSC3=NC(=N2)CN4CCOCC4)C5=CC=CC=C5
InChI: InChI=1S/C24H30N4OS/c1-17-7-5-6-10-20(17)25-23-22-19(18-8-3-2-4-9-18)16-30-24(22)27-21(26-23)15-28-11-13-29-14-12-28/h2-4,8-9,16-17,20H,5-7,10-15H2,1H3,(H,25,26,27)/t17-,20+/m0/s1
SMILES: CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O[C@H]5C[C@H]([C@@H]([C@@H](O5)C)O)N(C)C)O
InChI: InChI=1S/C30H35NO10/c1-6-30(38)12-19(41-20-11-17(31(3)4)25(33)13(2)40-20)22-15(24(30)29(37)39-5)10-16-23(28(22)36)27(35)21-14(26(16)34)8-7-9-18(21)32/h7-10,13,17,19-20,24-25,32-33,36,38H,6,11-12H2,1-5H3/t13-,17+,19-,20-,24-,25+,30+/m0/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](N4CCCN4[C@H]3C2=O)C5=CC=CC=C5OC
InChI: InChI=1S/C22H23N3O3/c1-14-8-10-15(11-9-14)25-21(26)18-19(16-6-3-4-7-17(16)28-2)23-12-5-13-24(23)20(18)22(25)27/h3-4,6-11,18-20H,5,12-13H2,1-2H3/t18-,19-,20+/m0/s1
SMILES: CC1([C@@H]2C[C@]34CCCCN3C[C@@]2(C[C@]15C6=C(C7=C(C=C6)OC(C=CO7)(C)CO)NC5=O)N(C4=O)C)C
InChI: InChI=1S/C28H35N3O5/c1-24(2)19-13-26-9-5-6-11-31(26)15-27(19,30(4)23(26)34)14-28(24)17-7-8-18-21(20(17)29-22(28)33)35-12-10-25(3,16-32)36-18/h7-8,10,12,19,32H,5-6,9,11,13-16H2,1-4H3,(H,29,33)/t19-,25?,26-,27+,28+/m0/s1
SMILES: COC1=C(C(=CC(=C1)C=O)I)O[C@H]2C=C(C[C@H]([C@@H]2O)N(CC3=C(C=C(C=C3)Cl)Cl)C(=O)C4=CC=C(C=C4)C(F)(F)F)C(=O)NCCO
InChI: InChI=1S/C32H28Cl2F3IN2O7/c1-46-27-11-17(16-42)10-24(38)29(27)47-26-13-20(30(44)39-8-9-41)12-25(28(26)43)40(15-19-4-7-22(33)14-23(19)34)31(45)18-2-5-21(6-3-18)32(35,36)37/h2-7,10-11,13-14,16,25-26,28,41,43H,8-9,12,15H2,1H3,(H,39,44)/t25-,26+,28+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)COC(=O)C2=CC(=C(C=C2)OC)OC
InChI: InChI=1S/C19H27NO5/c1-12-6-5-7-15(13(12)2)20-18(21)11-25-19(22)14-8-9-16(23-3)17(10-14)24-4/h8-10,12-13,15H,5-7,11H2,1-4H3,(H,20,21)/t12-,13-,15+/m0/s1