EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=CC2=C(C=C1)N3[C@@H](C=C2C)[C@]4([C@@H]([C@@H]3C(=O)C5=CC=CS5)C(=O)C6=CC=C(C=C6)OC)C7=CC=CC=C7NC4=O
InChI: InChI=1S/C34H28N2O4S/c1-19-10-15-26-23(17-19)20(2)18-28-34(24-7-4-5-8-25(24)35-33(34)39)29(31(37)21-11-13-22(40-3)14-12-21)30(36(26)28)32(38)27-9-6-16-41-27/h4-18,28-30H,1-3H3,(H,35,39)/t28-,29-,30+,34-/m0/s1
SMILES: CC1=C(OC=N1)C2=NN=C(N2C)SCCCN3C[C@@H]4C[C@@]4(C3)C5=C(C=CC(=C5)C(F)(F)F)F
InChI: InChI=1S/C22H23F4N5OS/c1-13-18(32-12-27-13)19-28-29-20(30(19)2)33-7-3-6-31-10-15-9-21(15,11-31)16-8-14(22(24,25)26)4-5-17(16)23/h4-5,8,12,15H,3,6-7,9-11H2,1-2H3/t15-,21-/m0/s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@@H]([C@@H](O2)[C@H](C)CCC(=O)OC)C)O[C@H]1CC[C@H](C)OC(=O)[C@](C3=CC=CC=C3)(C(F)(F)F)OC
InChI: InChI=1S/C31H45F3O7/c1-20-16-18-29(19-17-22(3)27(41-29)21(2)12-15-26(35)37-5)40-25(20)14-13-23(4)39-28(36)30(38-6,31(32,33)34)24-10-8-7-9-11-24/h7-11,20-23,25,27H,12-19H2,1-6H3/t20-,21-,22+,23+,25+,27+,29-,30-/m1/s1
SMILES: CC1=C2C=CN([C@H]2[C@@H]3[C@H](C1)C(=O)N(C3=O)C4=CC=CC=C4)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].N.N.N.N.N.[Os+2]
InChI: InChI=1S/C18H18N2O2.2CHF3O3S.5H3N.Os/c1-11-10-14-15(16-13(11)8-9-19(16)2)18(22)20(17(14)21)12-6-4-3-5-7-12;2*2-1(3,4)8(5,6)7;;;;;;/h3-9,14-16H,10H2,1-2H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2/t14-,15-,16+;;;;;;;;/m0......../s1
SMILES: CCOCC(=O)N(C[C@@H]1CC[C@H]2C[C@@H]1C2(C)C)[C@@H]3CC(=C[C@@H]([C@H]3O)OC4=C(C=C(C=C4I)C=O)OC)C(=O)NCCO
InChI: InChI=1S/C31H43IN2O8/c1-5-41-17-27(37)34(15-19-6-7-21-14-22(19)31(21,2)3)24-12-20(30(39)33-8-9-35)13-25(28(24)38)42-29-23(32)10-18(16-36)11-26(29)40-4/h10-11,13,16,19,21-22,24-25,28,35,38H,5-9,12,14-15,17H2,1-4H3,(H,33,39)/t19-,21-,22-,24+,25-,28-/m0/s1
SMILES: CC1(O[C@H]([C@@H](O1)[C@H]2[C@H](C(=O)N2C3=CC=C(C=C3)OC)OC4=CC=CC=C4)[C@H]5[C@H](C(=O)N5C6=CC=C(C=C6)OC)OC7=CC=CC=C7)C
InChI: InChI=1S/C37H36N2O8/c1-37(2)46-31(29-33(44-27-11-7-5-8-12-27)35(40)38(29)23-15-19-25(42-3)20-16-23)32(47-37)30-34(45-28-13-9-6-10-14-28)36(41)39(30)24-17-21-26(43-4)22-18-24/h5-22,29-34H,1-4H3/t29-,30-,31-,32-,33+,34+/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=C4CNC(=O)OCC=C)CN5CCN(CC5)C6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C40H44N4O7/c1-3-24-49-40(46)41-25-33-6-4-5-7-36(33)30-12-14-32(15-13-30)39-50-37(28(2)38(51-39)31-10-8-29(27-45)9-11-31)26-42-20-22-43(23-21-42)34-16-18-35(19-17-34)44(47)48/h3-19,28,37-39,45H,1,20-27H2,2H3,(H,41,46)/t28-,37+,38+,39+/m0/s1
SMILES: C=CC1=CC[C@H]2C(=O)N(C(=O)[C@]2([C@H]1C3=C(C=CC(=C3)Br)O)C4=CC=C(C=C4)Cl)NC5=CC=C(C=C5)F
InChI: InChI=1S/C28H21BrClFN2O3/c1-2-16-3-13-23-26(35)33(32-21-11-9-20(31)10-12-21)27(36)28(23,17-4-7-19(30)8-5-17)25(16)22-15-18(29)6-14-24(22)34/h2-12,14-15,23,25,32,34H,1,13H2/t23-,25+,28+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[C@@H](C1=C)CO)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4
InChI: InChI=1S/C24H31N5O4Si/c1-15-17(12-30)32-23(19(15)33-34(5,6)24(2,3)4)29-14-27-18-20(25-13-26-21(18)29)28-22(31)16-10-8-7-9-11-16/h7-11,13-14,17,19,23,30H,1,12H2,2-6H3,(H,25,26,28,31)/t17-,19-,23-/m1/s1
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OC(=O)CCCCCCCC(=O)O)O
InChI: InChI=1S/C18H26N2O9/c21-10-11-16(29-14(25)7-5-3-1-2-4-6-13(23)24)15(26)17(28-11)20-9-8-12(22)19-18(20)27/h8-9,11,15-17,21,26H,1-7,10H2,(H,23,24)(H,19,22,27)/t11-,15-,16-,17-/m1/s1
SMILES: CC1=CC=CC=C1N2[C@@H]3[C@@H](C(=N2)C(=O)OC)C(=O)N(C3=O)C4=C(C(=CC=C4)Cl)C
InChI: InChI=1S/C21H18ClN3O4/c1-11-7-4-5-9-14(11)25-18-16(17(23-25)21(28)29-3)19(26)24(20(18)27)15-10-6-8-13(22)12(15)2/h4-10,16,18H,1-3H3/t16-,18-/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)NCCCC3=CC=CC=C3
InChI: InChI=1S/C20H26N2O3/c23-18(21-13-6-9-15-7-2-1-3-8-15)12-14-22-19(24)16-10-4-5-11-17(16)20(22)25/h1-3,7-8,16-17H,4-6,9-14H2,(H,21,23)/t16-,17-/m1/s1
SMILES: CC1=CC(=C(C=C1)CSC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)C
InChI: InChI=1S/C19H22N4O4S/c1-10-3-4-12(11(2)5-10)7-28-18-14-17(20-8-21-18)23(9-22-14)19-16(26)15(25)13(6-24)27-19/h3-5,8-9,13,15-16,19,24-26H,6-7H2,1-2H3/t13-,15-,16-,19-/m1/s1
SMILES: CC(=O)O[C@H]([C@H]1C[C@@H]2CC[NH+]1C[C@@H]2C=C)C3=C4C=C(C=CC4=NC=C3)OC
InChI: InChI=1S/C22H26N2O3/c1-4-15-13-24-10-8-16(15)11-21(24)22(27-14(2)25)18-7-9-23-20-6-5-17(26-3)12-19(18)20/h4-7,9,12,15-16,21-22H,1,8,10-11,13H2,2-3H3/p+1/t15-,16-,21+,22-/m0/s1
SMILES: C[C@@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CC(=CC5=CC=CC=C5F)C4=O)C)O
InChI: InChI=1S/C26H31FO2/c1-25-11-9-19(28)15-18(25)7-8-20-21(25)10-12-26(2)22(20)14-17(24(26)29)13-16-5-3-4-6-23(16)27/h3-7,13,19-22,28H,8-12,14-15H2,1-2H3/t19-,20+,21-,22+,25+,26+/m0/s1
SMILES: CCCCC(C)/C=C(/C)\C(=O)O[C@@H]1CC[C@@H]([C@@]2([C@@H]1C[C@@]3([C@@H](C2)[C@H](CO3)C)O)C)C(=O)O
InChI: InChI=1S/C25H40O6/c1-6-7-8-15(2)11-16(3)23(28)31-21-10-9-18(22(26)27)24(5)12-19-17(4)14-30-25(19,29)13-20(21)24/h11,15,17-21,29H,6-10,12-14H2,1-5H3,(H,26,27)/b16-11-/t15?,17-,18+,19-,20+,21+,24+,25+/m0/s1
SMILES: CC(C)(C[N+](C)(C)C)[C@@H]1C2=C(CCCC2)[C@@H]3CCCC[C@@H]3O1
InChI: InChI=1S/C20H36NO/c1-20(2,14-21(3,4)5)19-17-12-7-6-10-15(17)16-11-8-9-13-18(16)22-19/h16,18-19H,6-14H2,1-5H3/q+1/t16-,18-,19-/m0/s1
SMILES: CCCN1[C@@H]([C@H]([C@H]([C@H](C1=O)O)O)O)CNC(=O)C2=CC=CC=C2
InChI: InChI=1S/C16H22N2O5/c1-2-8-18-11(12(19)13(20)14(21)16(18)23)9-17-15(22)10-6-4-3-5-7-10/h3-7,11-14,19-21H,2,8-9H2,1H3,(H,17,22)/t11-,12-,13-,14-/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)CNC(=O)NC45CC6CC(C4)CC(C6)C5)CN7CCC[C@H]7C(=O)OC(C)(C)C
InChI: InChI=1S/C40H55N3O6/c1-25-34(23-43-15-5-6-33(43)36(45)49-39(2,3)4)47-37(48-35(25)31-11-9-27(24-44)10-12-31)32-13-7-26(8-14-32)22-41-38(46)42-40-19-28-16-29(20-40)18-30(17-28)21-40/h7-14,25,28-30,33-35,37,44H,5-6,15-24H2,1-4H3,(H2,41,42,46)/t25-,28?,29?,30?,33-,34+,35+,37+,40?/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CC(=O)OCC3=CC=CC=C3C#N
InChI: InChI=1S/C18H18N2O4/c19-9-12-5-1-2-6-13(12)11-24-16(21)10-20-17(22)14-7-3-4-8-15(14)18(20)23/h1-2,5-6,14-15H,3-4,7-8,10-11H2/t14-,15-/m0/s1
SMILES: CC(=O)OC[C@H]([C@@H]1[C@@]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)OC(=O)C)(C#C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C20H23N3O10/c1-6-20(33-13(5)27)16(14(30-11(3)25)9-29-10(2)24)32-18(17(20)31-12(4)26)23-8-7-15(21)22-19(23)28/h1,7-8,14,16-18H,9H2,2-5H3,(H2,21,22,28)/t14-,16-,17+,18-,20-/m1/s1
SMILES: COC(=O)C1=CC=C(C=C1)NC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C17H21NO3/c1-21-17(20)12-4-6-15(7-5-12)18-16(19)10-14-9-11-2-3-13(14)8-11/h4-7,11,13-14H,2-3,8-10H2,1H3,(H,18,19)/t11-,13+,14+/m0/s1
SMILES: C[C@@H]1[C@@H](CC23C1(CC(=O)O2)CC4([C@H](C3(CO4)C)C)O)O
InChI: InChI=1S/C15H22O5/c1-8-10(16)4-15-12(3)7-19-14(18,9(12)2)6-13(8,15)5-11(17)20-15/h8-10,16,18H,4-7H2,1-3H3/t8-,9+,10-,12?,13?,14?,15?/m1/s1
SMILES: CC(=O)OC[C@H]1CC[C@H]2[C@@]13[C@@H]([C@@H]([C@@H]([C@@H]([C@@H]3OC(=O)C)C2(C)C)OC(=O)C)OC(=O)C)CO
InChI: InChI=1S/C23H34O9/c1-11(25)29-10-15-7-8-17-22(5,6)18-20(31-13(3)27)19(30-12(2)26)16(9-24)23(15,17)21(18)32-14(4)28/h15-21,24H,7-10H2,1-6H3/t15-,16-,17-,18+,19+,20-,21+,23+/m1/s1
SMILES: COC1=C(C=CC(=C1)O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)C7=CC(=CC(=C7)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C35H23Cl2F7N2O6/c1-52-25-13-20(47)6-7-22(25)27-21-8-9-23-26(29(49)45(28(23)48)19-11-15(34(39,40)41)10-16(12-19)35(42,43)44)24(21)14-32(36)30(50)46(31(51)33(27,32)37)18-4-2-17(38)3-5-18/h2-8,10-13,23-24,26-27,47H,9,14H2,1H3/t23-,24+,26-,27+,32+,33-/m0/s1
SMILES: C/C/1=C/C[C@@H]2[C@H](CC[C@]2(CC3[C@H]1CCC3=C)C)[C@@H](C)CC/C=C(\C)/CO
InChI: InChI=1S/C25H40O/c1-17(16-26)7-6-8-18(2)22-13-14-25(5)15-23-20(4)9-11-21(23)19(3)10-12-24(22)25/h7,10,18,21-24,26H,4,6,8-9,11-16H2,1-3,5H3/b17-7+,19-10-/t18-,21-,22+,23?,24+,25-/m0/s1
SMILES: C1=CC=C(C=C1)COC2[C@@H]([C@H](C([C@H]([C@@H]2O)O)O)O)O
InChI: InChI=1S/C13H18O6/c14-8-9(15)11(17)13(12(18)10(8)16)19-6-7-4-2-1-3-5-7/h1-5,8-18H,6H2/t8?,9-,10+,11+,12-,13?
SMILES: CC[C@H](C)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C
InChI: InChI=1S/C12H23NO6/c1-4-6(2)18-12-9(13-7(3)15)11(17)10(16)8(5-14)19-12/h6,8-12,14,16-17H,4-5H2,1-3H3,(H,13,15)/t6-,8+,9+,10-,11+,12+/m0/s1
SMILES: COC1=C(C=CC(=C1)[C@@H]2[C@@H]3[C@H](CO2)[C@H](OC3=O)C4=CC5=C(C=C4)OCO5)OCC6=CC=CC=C6
InChI: InChI=1S/C27H24O7/c1-29-22-11-18(8-9-20(22)30-13-16-5-3-2-4-6-16)26-24-19(14-31-26)25(34-27(24)28)17-7-10-21-23(12-17)33-15-32-21/h2-12,19,24-26H,13-15H2,1H3/t19-,24-,25+,26+/m0/s1
SMILES: C[C@@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/C3=CC(=C(C=C3)OCC4=CC=C(C=C4)Cl)OC
InChI: InChI=1S/C24H27ClN2O3/c1-24-12-4-3-5-19(24)22(24)23(28)27-26-14-17-8-11-20(21(13-17)29-2)30-15-16-6-9-18(25)10-7-16/h6-11,13-14,19,22H,3-5,12,15H2,1-2H3,(H,27,28)/b26-14+/t19-,22-,24+/m0/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3(C(=O)C[C@@]2([C@]1(C(=O)SCF)O)C)F)C)F
InChI: InChI=1S/C22H25F3O4S/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)30-10-23/h4-5,7,11,13-14,16,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,19+,20+,21+,22+/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@]13CC[C@@]4([C@@H](C3)[C@@H]([C@@]2(O4)C)[N+](=O)[O-])C
InChI: InChI=1S/C15H23NO3/c1-9-4-5-11-14(3)12(16(17)18)10-8-15(9,11)7-6-13(10,2)19-14/h9-12H,4-8H2,1-3H3/t9-,10+,11-,12+,13-,14-,15+/m1/s1
SMILES: CCCCCCC(=O)O[C@H]1CCC2[C@@]1(C[C@@H](C3C2[C@@H](CC4=CC(=O)CC[C@]34C)C)C)C
InChI: InChI=1S/C28H44O3/c1-6-7-8-9-10-24(30)31-23-12-11-22-25-18(2)15-20-16-21(29)13-14-27(20,4)26(25)19(3)17-28(22,23)5/h16,18-19,22-23,25-26H,6-15,17H2,1-5H3/t18-,19+,22?,23+,25?,26?,27+,28+/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CN=C2C1)CC[C@@H]4C(=O)OC)C)C
InChI: InChI=1S/C29H51NO3Si/c1-18(2)34(19(3)4,20(5)6)33-21-12-14-29(8)24-13-15-28(7)23(10-11-25(28)27(31)32-9)22(24)17-30-26(29)16-21/h18-25H,10-17H2,1-9H3/t21-,22-,23-,24-,25+,28-,29+/m0/s1
SMILES: CC1(O[C@H]2[C@@H]([C@H](OC([C@H]2O1)O)CO)N=[N+]=[N-])C
InChI: InChI=1S/C9H15N3O5/c1-9(2)16-6-5(11-12-10)4(3-13)15-8(14)7(6)17-9/h4-8,13-14H,3H2,1-2H3/t4-,5-,6+,7+,8?/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)C2=CC3=CC=CC=C3S2
InChI: InChI=1S/C19H23NO3S/c1-12-7-3-5-9-15(12)20-18(21)13(2)23-19(22)17-11-14-8-4-6-10-16(14)24-17/h4,6,8,10-13,15H,3,5,7,9H2,1-2H3,(H,20,21)/t12-,13-,15+/m1/s1
SMILES: C[C@H]1CCCC(=C)[C@H]2CC[C@](O2)([C@H](C[C@@H]3[C@H]([C@@H]1OC(=O)C)OC(=O)C3=C)O)C
InChI: InChI=1S/C22H32O6/c1-12-7-6-8-13(2)19(26-15(4)23)20-16(14(3)21(25)27-20)11-18(24)22(5)10-9-17(12)28-22/h13,16-20,24H,1,3,6-11H2,2,4-5H3/t13-,16-,17+,18-,19+,20+,22-/m0/s1
SMILES: [3H]C(CCO[C@@H]1[C@@H](CC2=CC=C3[C@@H]4CC[C@@H]([C@]4(CC[C@@H]3[C@]2([C@H]1O[Si](C)(C)C(C)(C)C)C)C)[C@H](C)CCCC(C)(C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C48H92O5Si3/c1-34(23-21-29-46(11,12)53-56(19,20)45(8,9)10)37-26-27-38-36-25-24-35-33-40(51-54(15,16)43(2,3)4)41(50-32-22-31-49)42(52-55(17,18)44(5,6)7)48(35,14)39(36)28-30-47(37,38)13/h24-25,34,37-42,49H,21-23,26-33H2,1-20H3/t34-,37-,38+,39+,40-,41-,42+,47-,48+/m1/s1/i31T/t31?,34-,37-,38+,39+,40-,41-,42+,47-,48+
SMILES: CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC(=O)N3CCC[C@H]4[C@H]3CCCC4
InChI: InChI=1S/C20H27N5O2S/c1-14-9-10-18(27-2)17(12-14)25-20(21-22-23-25)28-13-19(26)24-11-5-7-15-6-3-4-8-16(15)24/h9-10,12,15-16H,3-8,11,13H2,1-2H3/t15-,16+/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)CN)CSC4=NC(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C35H34N2O4S/c1-23-30(22-42-35-37-31(26-8-4-2-5-9-26)33(41-35)27-10-6-3-7-11-27)39-34(29-18-12-24(20-36)13-19-29)40-32(23)28-16-14-25(21-38)15-17-28/h2-19,23,30,32,34,38H,20-22,36H2,1H3/t23-,30+,32+,34+/m1/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@@H]2C[NH+](CC3)C)C(=S)NC4=CC=CC=C4
InChI: InChI=1S/C20H23N3S/c1-14-8-9-18-16(12-14)17-13-22(2)11-10-19(17)23(18)20(24)21-15-6-4-3-5-7-15/h3-9,12,17,19H,10-11,13H2,1-2H3,(H,21,24)/p+1/t17-,19+/m1/s1
SMILES: COC1=CC(=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)N[C@@H]4[C@H]3CCNCC4
InChI: InChI=1S/C19H22N2O3S/c1-24-13-3-2-4-14(11-13)25(22,23)15-5-6-18-17(12-15)16-7-9-20-10-8-19(16)21-18/h2-6,11-12,16,19-21H,7-10H2,1H3/t16-,19-/m0/s1
SMILES: CCOC(=O)[C@H]1C[C@@H]1CN(CC2=NN(C(=C2)C)C)C(=O)C3=CC(=NN3C(C)(C)C)C
InChI: InChI=1S/C22H33N5O3/c1-8-30-21(29)18-11-16(18)12-26(13-17-10-15(3)25(7)24-17)20(28)19-9-14(2)23-27(19)22(4,5)6/h9-10,16,18H,8,11-13H2,1-7H3/t16-,18+/m1/s1
SMILES: COC1=CC=CC=C1[C@H]2[C@@H](C(=O)NC(=C2C#N)SCC(=O)N)C#N
InChI: InChI=1S/C16H14N4O3S/c1-23-12-5-3-2-4-9(12)14-10(6-17)15(22)20-16(11(14)7-18)24-8-13(19)21/h2-5,10,14H,8H2,1H3,(H2,19,21)(H,20,22)/t10-,14-/m0/s1
SMILES: CC1([C@@H](N2[C@H](S1(=O)=O)[C@@H](C2=O)[C@@H](C3=CC=CC=C3)O)C(=O)O)C
InChI: InChI=1S/C15H17NO6S/c1-15(2)11(14(19)20)16-12(18)9(13(16)23(15,21)22)10(17)8-6-4-3-5-7-8/h3-7,9-11,13,17H,1-2H3,(H,19,20)/t9-,10-,11+,13-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C[C@]5(C=C[C@]34C)SCC6=CC=CC=C6S5
InChI: InChI=1S/C26H30OS2/c1-24-13-14-26(28-16-17-5-3-4-6-22(17)29-26)15-18(24)7-8-19-20-9-10-23(27)25(20,2)12-11-21(19)24/h3-6,13-15,19-21H,7-12,16H2,1-2H3/t19-,20-,21-,24-,25-,26+/m0/s1
SMILES: CC(C1=CC(=O)C(=CN1O)O)O/N=C(/C2=CSC(=N2)N)\C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSC5=NC=NS5)C(=O)O
InChI: InChI=1S/C22H20N8O8S4/c1-8(11-2-12(31)13(32)3-29(11)37)38-28-14(10-6-40-21(23)26-10)17(33)27-15-18(34)30-16(20(35)36)9(4-39-19(15)30)5-41-22-24-7-25-42-22/h2-3,6-8,15,19,32,37H,4-5H2,1H3,(H2,23,26)(H,27,33)(H,35,36)/b28-14-/t8?,15-,19-/m1/s1
SMILES: C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CC3=CC(=CC=C3)N)CC4=CC5=C(C=C4)NN=C5C6=CC(=CC=C6)C(F)(F)F)CC7=CC=CC=C7)O)O
InChI: InChI=1S/C41H38F3N5O3/c42-41(43,44)31-15-8-14-30(23-31)37-33-20-29(17-18-34(33)46-47-37)25-49-36(22-27-11-5-2-6-12-27)39(51)38(50)35(21-26-9-3-1-4-10-26)48(40(49)52)24-28-13-7-16-32(45)19-28/h1-20,23,35-36,38-39,50-51H,21-22,24-25,45H2,(H,46,47)/t35-,36-,38+,39+/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=NC6=C(N=CN=C65)NC(=O)OCC(C7=CC=CC=C7[N+](=O)[O-])C8=CC=CC=C8[N+](=O)[O-])O
InChI: InChI=1S/C46H41N7O11/c1-60-32-20-16-30(17-21-32)46(29-10-4-3-5-11-29,31-18-22-33(61-2)23-19-31)63-26-40-39(54)24-41(64-40)51-28-49-42-43(47-27-48-44(42)51)50-45(55)62-25-36(34-12-6-8-14-37(34)52(56)57)35-13-7-9-15-38(35)53(58)59/h3-23,27-28,36,39-41,54H,24-26H2,1-2H3,(H,47,48,50,55)/t39-,40+,41+/m0/s1
SMILES: C[C@]1([C@@H]([C@H](C(=C(N1)[S-])C#N)C2=CN=CC=C2)[N+]3=CC=CC=C3)O
InChI: InChI=1S/C17H16N4OS/c1-17(22)15(21-8-3-2-4-9-21)14(12-6-5-7-19-11-12)13(10-18)16(23)20-17/h2-9,11,14-15,20,22H,1H3/t14-,15+,17+/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=C(C=C6)N(C)C)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
InChI: InChI=1S/C49H56N2O14/c1-26-33(63-45(59)38(55)37(29-15-11-9-12-16-29)50-43(57)30-19-21-32(22-20-30)51(7)8)24-49(60)42(64-44(58)31-17-13-10-14-18-31)40-47(6,34(54)23-35-48(40,25-61-35)65-28(3)53)41(56)39(62-27(2)52)36(26)46(49,4)5/h9-22,33-35,37-40,42,54-55,60H,23-25H2,1-8H3,(H,50,57)/t33-,34-,35+,37-,38+,39+,40-,42-,47+,48-,49+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)COC2=CC=CC=C2F
InChI: InChI=1S/C18H24FNO4/c1-12-6-5-8-15(13(12)2)20-17(21)10-24-18(22)11-23-16-9-4-3-7-14(16)19/h3-4,7,9,12-13,15H,5-6,8,10-11H2,1-2H3,(H,20,21)/t12-,13-,15+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)SC2=NN=CN2C3=CC(=CC=C3)OC
InChI: InChI=1S/C19H26N4O2S/c1-13-7-4-5-10-17(13)21-18(24)14(2)26-19-22-20-12-23(19)15-8-6-9-16(11-15)25-3/h6,8-9,11-14,17H,4-5,7,10H2,1-3H3,(H,21,24)/t13-,14+,17+/m0/s1
SMILES: C1CC[C@H]2CN(CC[C@@H]2C1)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F
InChI: InChI=1S/C21H29FN2O3S/c22-19-5-7-20(8-6-19)28(26,27)24-13-10-17(11-14-24)21(25)23-12-9-16-3-1-2-4-18(16)15-23/h5-8,16-18H,1-4,9-15H2/t16-,18-/m0/s1
SMILES: C1[C@H]2[C@H]([C@@H]([C@H]([C@@H](O1)O2)OC(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)O
InChI: InChI=1S/C20H20O6/c21-16-15-12-24-20(25-15)18(26-19(22)14-9-5-2-6-10-14)17(16)23-11-13-7-3-1-4-8-13/h1-10,15-18,20-21H,11-12H2/t15-,16+,17-,18+,20-/m0/s1
SMILES: CN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CN5CC(=O)NS5(=O)=O
InChI: InChI=1S/C18H22N4O3S/c1-21-8-11(9-22-10-17(23)20-26(22,24)25)5-14-13-3-2-4-15-18(13)12(7-19-15)6-16(14)21/h2-4,7,11,14,16,19H,5-6,8-10H2,1H3,(H,20,23)/t11-,14-,16-/m1/s1
SMILES: C1[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O1)O2)OC(=O)C3=CC=CC=C3)F)O
InChI: InChI=1S/C13H13FO5/c14-9-10(15)8-6-17-13(18-8)11(9)19-12(16)7-4-2-1-3-5-7/h1-5,8-11,13,15H,6H2/t8-,9+,10-,11+,13-/m1/s1
SMILES: CC(C)(C1=CC(=NO1)C2=CC=CC=C2)N3CCN([C@@H](C3)C(=O)NCC(F)(F)F)C[C@H](C[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H]5[C@@H](COC6=CC=CC=C56)O)O
InChI: InChI=1S/C40H46F3N5O6/c1-39(2,35-21-31(46-54-35)27-13-7-4-8-14-27)48-18-17-47(32(23-48)38(52)44-25-40(41,42)43)22-29(49)20-28(19-26-11-5-3-6-12-26)37(51)45-36-30-15-9-10-16-34(30)53-24-33(36)50/h3-16,21,28-29,32-33,36,49-50H,17-20,22-25H2,1-2H3,(H,44,52)(H,45,51)/t28-,29+,32+,33-,36+/m1/s1
SMILES: COC1=CC=CC(=C1)N2C[C@@]34C=C[C@@H](O3)[C@@H]([C@@H]4C2=O)C(=O)O
InChI: InChI=1S/C16H15NO5/c1-21-10-4-2-3-9(7-10)17-8-16-6-5-11(22-16)12(15(19)20)13(16)14(17)18/h2-7,11-13H,8H2,1H3,(H,19,20)/t11-,12+,13-,16-/m1/s1
SMILES: CC(=O)C1=C([C@H]([C@@H](CC1=O)C2=CC=CC=C2)C(=O)OC)O
InChI: InChI=1S/C16H16O5/c1-9(17)13-12(18)8-11(10-6-4-3-5-7-10)14(15(13)19)16(20)21-2/h3-7,11,14,19H,8H2,1-2H3/t11-,14-/m0/s1
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCC(=O)N)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C42H62N8O12S/c1-23(2)18-28(40(60)47-26(37(44)57)16-17-63-3)46-33(53)21-45-38(58)29(19-24-10-6-4-7-11-24)48-41(61)30(20-25-12-8-5-9-13-25)49-39(59)27(14-15-32(43)52)50-42-36(56)35(55)34(54)31(22-51)62-42/h4-13,23,26-31,34-36,42,50-51,54-56H,14-22H2,1-3H3,(H2,43,52)(H2,44,57)(H,45,58)(H,46,53)(H,47,60)(H,48,61)(H,49,59)/t26-,27-,28-,29-,30-,31+,34+,35-,36+,42+/m0/s1
SMILES: C1CCC(C1)(CC(=O)N[C@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N)O)CC(=O)O
InChI: InChI=1S/C25H35N3O9/c26-22(35)16(9-14-3-5-15(29)6-4-14)28-23(36)25(37)10-17(21(34)18(30)11-25)27-19(31)12-24(13-20(32)33)7-1-2-8-24/h3-6,16-18,21,29-30,34,37H,1-2,7-13H2,(H2,26,35)(H,27,31)(H,28,36)(H,32,33)/t16-,17-,18+,21+,25-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OP(=O)([C@@H](C2=CC=CC=C2)O)O[C@@H]3C[C@@H](CC[C@@H]3C(C)C)C)C(C)C
InChI: InChI=1S/C27H45O4P/c1-18(2)23-14-12-20(5)16-25(23)30-32(29,27(28)22-10-8-7-9-11-22)31-26-17-21(6)13-15-24(26)19(3)4/h7-11,18-21,23-28H,12-17H2,1-6H3/t20-,21-,23-,24+,25-,26-,27+,32?/m1/s1
SMILES: CCOC(=O)[C@H]1[C@]2([C@@H](C[C@@H]([C@H](O2)[C@H](C[C@@H](C)C/C(=C/[C@H]3C[C@H](CO[C@@]34C[C@H](OC(O4)(C)C)[C@@H](C)C=C)O[Si](C)(C)C(C)(C)C)/C)OC)OC)C)OC(O1)(C)C
InChI: InChI=1S/C43H76O11Si/c1-18-29(5)35-25-42(53-40(10,11)49-35)31(24-32(26-48-42)52-55(16,17)39(7,8)9)21-27(3)20-28(4)22-33(45-14)36-34(46-15)23-30(6)43(50-36)37(38(44)47-19-2)51-41(12,13)54-43/h18,21,28-37H,1,19-20,22-26H2,2-17H3/b27-21+/t28-,29-,30+,31-,32+,33-,34-,35-,36+,37-,42+,43-/m0/s1
SMILES: CC1=NC(=CC=C1)COC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOCC5=CC=C(C=C5)[N+](=O)[O-])C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)N(CCOCCO)C(=O)OC)OCC=C
InChI: InChI=1S/C47H60N4O12/c1-4-24-61-47-43(50(46(55)58-3)20-25-59-26-23-54)29-41(49-62-30-33-14-16-36(17-15-33)51(56)57)39-27-34(11-5-7-21-52)38(13-6-8-22-53)44(45(39)47)40-28-37(18-19-42(40)63-47)60-31-35-12-9-10-32(2)48-35/h4,9-10,12,14-19,27-28,34,38,43-45,52-54H,1,5-8,11,13,20-26,29-31H2,2-3H3/t34-,38+,43-,44+,45+,47+/m0/s1
SMILES: [B-](F)(F)(F)F.CC1(OC[C@@H]([C@@H](O1)C2=CC=CC=C2)[N+]3=C4C=CC=C(C4=C(C5=C3C=CC=C5OC)C6=C(C=CC=C6OC)OC)OC)C
InChI: InChI=1S/C35H36NO6.BF4/c1-35(2)41-21-25(34(42-35)22-13-8-7-9-14-22)36-23-15-10-17-26(37-3)30(23)33(31-24(36)16-11-18-27(31)38-4)32-28(39-5)19-12-20-29(32)40-6;2-1(3,4)5/h7-20,25,34H,21H2,1-6H3;/q+1;-1/t25-,34-;/m0./s1
SMILES: C[C@@H]1[C@@H]([C@H](C(=O)C([C@H](CC(=O)O[C@@H](C/C=C(\C2=CC=CC1=C2)/C)/C(=C/C3=CSC(=C3)C)/C)O)(C)C)C)O
InChI: InChI=1S/C31H40O5S/c1-18-11-12-26(19(2)13-23-14-20(3)37-17-23)36-28(33)16-27(32)31(6,7)30(35)22(5)29(34)21(4)25-10-8-9-24(18)15-25/h8-11,13-15,17,21-22,26-27,29,32,34H,12,16H2,1-7H3/b18-11-,19-13+/t21-,22+,26-,27-,29-/m0/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)N[C@@H](C)C2=CC=C(C=C2)F)C3=CC=CS3)CCOCCOCCO
InChI: InChI=1S/C26H34FNO6S/c1-3-33-26-21(10-12-31-14-15-32-13-11-29)22(24-5-4-16-35-24)17-23(34-26)25(30)28-18(2)19-6-8-20(27)9-7-19/h4-9,16-18,21-22,26,29H,3,10-15H2,1-2H3,(H,28,30)/t18-,21+,22+,26-/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(C[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)C(=O)NC5=CC=C(C=C5)OC)O)C6=C(C=C(C[C@H](CC1)O)C=C6)C(=O)C7=CC=C(S7)C)C
InChI: InChI=1S/C46H60N2O5S/c1-29-8-7-22-45(5)39(37-19-11-31(24-35(49)16-9-29)25-38(37)42(50)41-20-10-30(2)54-41)21-23-46(45,52)28-48(27-32-12-13-33-26-40(32)44(33,3)4)43(51)47-34-14-17-36(53-6)18-15-34/h8,10-11,14-15,17-20,25,32-33,35,39-40,49,52H,7,9,12-13,16,21-24,26-28H2,1-6H3,(H,47,51)/t32-,33-,35-,39-,40-,45-,46+/m0/s1
SMILES: C1C[C@H]([C@H]2[C@@]3([C@@H]1CN(CC3)CC4CC4)C5=C(O2)C(=CC=C5)O)O
InChI: InChI=1S/C19H25NO3/c21-15-3-1-2-14-17(15)23-18-16(22)7-6-13-11-20(10-12-4-5-12)9-8-19(13,14)18/h1-3,12-13,16,18,21-22H,4-11H2/t13-,16+,18-,19-/m0/s1
SMILES: CCOC1=C(C=C2C(=C1)[C@H]3C[C@@H](CC[C@H]3N=C2C4=CN(C(=O)C=C4)C)O)OC
InChI: InChI=1S/C22H26N2O4/c1-4-28-20-10-15-16-9-14(25)6-7-18(16)23-22(17(15)11-19(20)27-3)13-5-8-21(26)24(2)12-13/h5,8,10-12,14,16,18,25H,4,6-7,9H2,1-3H3/t14-,16-,18-/m1/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@H](OC([C@@H]1OC(=O)C)N=[N+]=[N-])C(=O)N(C)C2=CC=C(C=C2)F)OC(=O)C
InChI: InChI=1S/C19H21FN4O8/c1-9(25)29-14-15(30-10(2)26)17(32-18(22-23-21)16(14)31-11(3)27)19(28)24(4)13-7-5-12(20)6-8-13/h5-8,14-18H,1-4H3/t14-,15-,16+,17-,18?/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)CC7=CC=CC=C7
InChI: InChI=1S/C33H25NO4/c1-33-29-23-15-7-5-13-21(23)28(22-14-6-8-16-24(22)29)30(33)31(36)34(32(33)37)25-17-9-10-18-26(25)38-27(35)19-20-11-3-2-4-12-20/h2-18,28-30H,19H2,1H3/t28?,29?,30-,33+/m0/s1
SMILES: CCOC(=O)C1=C(S[C@H]2[C@@H]1CCCC2)NC(=O)C3=CC=CC=C3
InChI: InChI=1S/C18H21NO3S/c1-2-22-18(21)15-13-10-6-7-11-14(13)23-17(15)19-16(20)12-8-4-3-5-9-12/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3,(H,19,20)/t13-,14+/m0/s1
SMILES: CC(=O)OC[C@]1([C@H](CC[C@]2([C@H]1C[C@@H]([C@@H]3[C@@H]2CC=C([C@@]3(C)O)C=C)OC(=O)C)C)OC(=O)C)C
InChI: InChI=1S/C26H38O7/c1-8-18-9-10-19-23(26(18,7)30)20(32-16(3)28)13-21-24(19,5)12-11-22(33-17(4)29)25(21,6)14-31-15(2)27/h8-9,19-23,30H,1,10-14H2,2-7H3/t19-,20-,21+,22-,23-,24+,25+,26+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@@H]2C(=O)[C@@H]3[C@]4([C@H]1O[C@H](O2)O3)CO4
InChI: InChI=1S/C14H22O6Si/c1-13(2,3)21(4,5)20-9-8-7(15)10-14(6-16-14)11(9)19-12(17-8)18-10/h8-12H,6H2,1-5H3/t8-,9-,10+,11-,12+,14-/m0/s1
SMILES: [2H]C([2H])([2H])[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@H]1C(=O)CO)C)C
InChI: InChI=1S/C22H28O3/c1-13-10-18-16-5-4-14-11-15(24)6-8-21(14,2)17(16)7-9-22(18,3)20(13)19(25)12-23/h6-8,11,13,16,18,20,23H,4-5,9-10,12H2,1-3H3/t13-,16-,18+,20-,21+,22+/m1/s1/i1D3
SMILES: COC(=O)[C@@H]1[C@@H]2CCCCC2=C3CCCC[C@H]3[C@H]1C(=O)C4=CC=CC=C4
InChI: InChI=1S/C23H28O3/c1-26-23(25)21-19-14-8-6-12-17(19)16-11-5-7-13-18(16)20(21)22(24)15-9-3-2-4-10-15/h2-4,9-10,18-21H,5-8,11-14H2,1H3/t18-,19-,20-,21-/m1/s1
SMILES: CC(=O)C1=CC(=CC=C1)NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O
InChI: InChI=1S/C19H22N2O4/c1-12(22)13-5-4-6-14(11-13)20-17(23)9-10-21-18(24)15-7-2-3-8-16(15)19(21)25/h4-6,11,15-16H,2-3,7-10H2,1H3,(H,20,23)/t15-,16-/m1/s1
SMILES: CCC1=C(N(C(=O)NC1=O)CCCCC(=O)NCCCCNC(=O)CCC2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO)N=[N+]=[N-])SC4=CC(=CC(=C4)C)C
InChI: InChI=1S/C35H47N9O8S/c1-4-25-32(49)40-34(50)43(33(25)53-24-16-21(2)15-22(3)17-24)14-8-5-9-28(46)37-12-6-7-13-38-29(47)11-10-23-19-44(35(51)39-31(23)48)30-18-26(41-42-36)27(20-45)52-30/h15-17,19,26-27,30,45H,4-14,18,20H2,1-3H3,(H,37,46)(H,38,47)(H,39,48,51)(H,40,49,50)/t26-,27+,30+/m0/s1
SMILES: C[C@H]1CC2=C(C(=C(N2)C(=O)OC)C)C(=O)[C@@H]1C(=O)OC
InChI: InChI=1S/C14H17NO5/c1-6-5-8-10(12(16)9(6)13(17)19-3)7(2)11(15-8)14(18)20-4/h6,9,15H,5H2,1-4H3/t6-,9+/m0/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC3=C([C@H]2CC(=O)NCC#C)N=C(S3)NC4=C(C=CC(=C4)OC)OC)(C)CO)O
InChI: InChI=1S/C27H35N3O5S/c1-6-11-28-23(33)13-17-24-20(14-21-26(17,2)10-9-22(32)27(21,3)15-31)36-25(30-24)29-18-12-16(34-4)7-8-19(18)35-5/h1,7-8,12,17,21-22,31-32H,9-11,13-15H2,2-5H3,(H,28,33)(H,29,30)/t17-,21+,22-,26+,27+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OP(=O)(O)O)OC(=O)C
InChI: InChI=1S/C20H30NO16P/c1-9(22)21-16-14(33-11(3)24)7-20(19(27)31-6,37-38(28,29)30)36-18(16)17(35-13(5)26)15(34-12(4)25)8-32-10(2)23/h14-18H,7-8H2,1-6H3,(H,21,22)(H2,28,29,30)/t14-,15+,16+,17+,18+,20+/m0/s1