EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1=CC(=CC=C1/C=C\2/C(=C/C3=CC=C(C=C3)Cl)/[C@@H]([C@@H]2C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)Cl
InChI: InChI=1S/C30H20Cl4/c31-23-9-1-19(2-10-23)17-27-28(18-20-3-11-24(32)12-4-20)30(22-7-15-26(34)16-8-22)29(27)21-5-13-25(33)14-6-21/h1-18,29-30H/b27-17-,28-18-/t29-,30+
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)OCC3=CC=C(C=C3)C(C)C
InChI: InChI=1S/C21H28N2O4/c1-14(2)17-9-7-16(8-10-17)13-27-18(24)12-23-19(25)21(22-20(23)26)11-5-4-6-15(21)3/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,22,26)/t15-,21+/m0/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)O)OCC=C)CCCCO)CCCCO)C(=O)OC6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C42H55N3O11/c1-3-20-44(41(49)54-31-17-14-29(15-18-31)45(50)51)37-27-35(43-56-38-13-7-10-24-52-38)33-25-28(11-5-8-21-46)32(12-6-9-22-47)39-34-26-30(48)16-19-36(34)55-42(37,40(33)39)53-23-4-2/h4,14-19,25-26,28,32,37-40,46-48H,2-3,5-13,20-24,27H2,1H3/t28-,32+,37-,38?,39+,40+,42+/m0/s1
SMILES: C[C@@H]1[C@@H](CCC(=CC1S(=O)(=O)C2=CC=CC=C2)SC3=CC=CC=C3)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C26H36O3S2Si/c1-20-24(29-32(5,6)26(2,3)4)18-17-22(30-21-13-9-7-10-14-21)19-25(20)31(27,28)23-15-11-8-12-16-23/h7-16,19-20,24-25H,17-18H2,1-6H3/t20-,24-,25?/m1/s1
SMILES: CC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)NC)C5=CC=CC=C35
InChI: InChI=1S/C33H36N4O4/c1-20(38)35-28(18-22-13-7-4-8-14-22)32(40)37-30-26-19-25(23-15-9-10-16-24(23)26)29(30)33(41)36-27(31(39)34-2)17-21-11-5-3-6-12-21/h3-16,25-30H,17-19H2,1-2H3,(H,34,39)(H,35,38)(H,36,41)(H,37,40)/t25-,26+,27+,28-,29+,30-/m1/s1
SMILES: COC1=CC=CC=C1[C@@H]2[C@]3(O2)[C@H](OC4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI: InChI=1S/C23H18O4/c1-25-18-13-7-6-12-17(18)22-23(27-22)20(24)16-11-5-8-14-19(16)26-21(23)15-9-3-2-4-10-15/h2-14,21-22H,1H3/t21-,22-,23-/m1/s1
SMILES: C1C[C@@H]([C@@H](C(=C1)CCN2C(=O)COC2=O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C25H23NO7/c27-21-16-31-25(30)26(21)15-14-17-12-7-13-20(32-23(28)18-8-3-1-4-9-18)22(17)33-24(29)19-10-5-2-6-11-19/h1-6,8-12,20,22H,7,13-16H2/t20-,22+/m0/s1
SMILES: [2H]C([2H])(C(=O)N1[C@@H]2C[C@H]3CC[C@@]2(C3(C)C)CS1(=O)=O)N=C(SC)SC
InChI: InChI=1S/C15H24N2O3S3/c1-14(2)10-5-6-15(14)9-23(19,20)17(11(15)7-10)12(18)8-16-13(21-3)22-4/h10-11H,5-9H2,1-4H3/t10-,11-,15-/m1/s1/i8D2
SMILES: CCOC1=CC(=O)[C@@H]([C@H](C1)C)CCC(C2=C(C(=C(O2)C)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C37H50O6Si/c1-9-39-30-22-26(2)31(32(38)23-30)20-21-33(43-44(7,8)37(4,5)6)35-36(41-25-29-18-14-11-15-19-29)34(27(3)42-35)40-24-28-16-12-10-13-17-28/h10-19,23,26,31,33H,9,20-22,24-25H2,1-8H3/t26-,31+,33?/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)C(Cl)(Cl)Cl)CSC4=CC=CC=C4OC
InChI: InChI=1S/C28H28Cl3NO5S/c1-17-23(16-38-24-9-4-3-8-22(24)35-2)36-26(37-25(17)19-12-10-18(15-33)11-13-19)20-6-5-7-21(14-20)32-27(34)28(29,30)31/h3-14,17,23,25-26,33H,15-16H2,1-2H3,(H,32,34)/t17-,23+,25+,26+/m1/s1
SMILES: CCN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC(=O)NC5=CC=CC=C5)O
InChI: InChI=1S/C24H26N2O4/c1-2-26-13-12-24-11-10-18(27)14-20(24)30-22-19(9-8-16(15-26)21(22)24)29-23(28)25-17-6-4-3-5-7-17/h3-11,18,20,27H,2,12-15H2,1H3,(H,25,28)/t18-,20-,24-/m0/s1
SMILES: CN1C(=O)[C@]23CC4=CC=C[C@@H]([C@H]4N2C(=O)[C@]1(SSSS3)CO)O
InChI: InChI=1S/C13H14N2O4S4/c1-14-10(18)12-5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,6-16)21-23-22-20-12/h2-4,8-9,16-17H,5-6H2,1H3/t8-,9-,12+,13+/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)NC)C)C)N(C)C
InChI: InChI=1S/C24H44N2/c1-16(26(5)6)20-9-10-21-19-8-7-17-15-18(25-4)11-13-23(17,2)22(19)12-14-24(20,21)3/h16-22,25H,7-15H2,1-6H3/t16-,17-,18+,19-,20+,21-,22-,23-,24+/m0/s1
SMILES: CCCCOC(=O)CC/C(=C/CC/C(=C/CC/C(=C/CC1=CC(=C(C(=C1O)C)C)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)/C)/C)/C
InChI: InChI=1S/C34H52O8/c1-7-8-19-40-30(36)18-16-24(4)14-10-12-22(2)11-9-13-23(3)15-17-27-20-29(25(5)26(6)31(27)37)42-34-33(39)32(38)28(35)21-41-34/h11,14-15,20,28,32-35,37-39H,7-10,12-13,16-19,21H2,1-6H3/b22-11+,23-15+,24-14+/t28-,32+,33-,34+/m1/s1
SMILES: CCCO[C@H]1CC2=CC=CC=C2[C@H]1NC3=NC(=C(N=C3CC)C4=C(C=C(C=C4)Cl)Cl)CC
InChI: InChI=1S/C26H29Cl2N3O/c1-4-13-32-23-14-16-9-7-8-10-18(16)25(23)31-26-22(6-3)29-24(21(5-2)30-26)19-12-11-17(27)15-20(19)28/h7-12,15,23,25H,4-6,13-14H2,1-3H3,(H,30,31)/t23-,25+/m0/s1
SMILES: C[C@]12CC[C@]3([C@H]([C@@H]1CC[C@@H]2O)C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)O
InChI: InChI=1S/C19H32O4/c1-17-7-8-19(23)13(12(17)3-4-16(17)22)10-15(21)14-9-11(20)5-6-18(14,19)2/h11-16,20-23H,3-10H2,1-2H3/t11-,12-,13-,14+,15-,16-,17-,18-,19+/m0/s1
SMILES: C1=CC=C2C(=C1)C=C[C@H]3N2[C@@H]([C@H](C3(C#N)C#N)C4=CC=CS4)C(=O)C5=CC=C(C=C5)F
InChI: InChI=1S/C25H16FN3OS/c26-18-10-7-17(8-11-18)24(30)23-22(20-6-3-13-31-20)25(14-27,15-28)21-12-9-16-4-1-2-5-19(16)29(21)23/h1-13,21-23H/t21-,22-,23+/m1/s1
SMILES: CC1=C2C=CC=C(C2=NC=C1)NCN3C(=O)[C@H]4CC=C(C[C@H]4C3=O)Cl
InChI: InChI=1S/C19H18ClN3O2/c1-11-7-8-21-17-13(11)3-2-4-16(17)22-10-23-18(24)14-6-5-12(20)9-15(14)19(23)25/h2-5,7-8,14-15,22H,6,9-10H2,1H3/t14-,15+/m0/s1
SMILES: CCC[C@@]1(CC[C@H]2[C@@]1(CC[C@@H]3[C@@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)O
InChI: InChI=1S/C24H40O3/c1-5-11-24(26)14-10-21-19-7-6-17-15-18(27-16(2)25)8-12-22(17,3)20(19)9-13-23(21,24)4/h17-21,26H,5-15H2,1-4H3/t17-,18-,19-,20+,21+,22-,23-,24-/m0/s1
SMILES: C[C@@H]1C[C@@]([C@@H](C[NH+]1C)C)(CC[NH2+]CC2=CC(=C(C=C2)OC)OC)CC3=CC=CC=C3
InChI: InChI=1S/C26H38N2O2/c1-20-19-28(3)21(2)16-26(20,17-22-9-7-6-8-10-22)13-14-27-18-23-11-12-24(29-4)25(15-23)30-5/h6-12,15,20-21,27H,13-14,16-19H2,1-5H3/p+2/t20-,21-,26+/m1/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)SCCC7=NC=CN=C7)OCC=C
InChI: InChI=1S/C47H55N5O8S/c1-3-24-58-47-44(61-25-19-35-29-48-20-21-49-35)28-42(51-59-30-33-13-15-37(16-14-33)52(55)56)40-26-34(10-4-6-22-53)39(12-5-7-23-54)45(46(40)47)41-27-38(17-18-43(41)60-47)57-31-36-11-8-9-32(2)50-36/h3,8-9,11,13-18,20-21,26-27,29,34,39,44-46,53-54H,1,4-7,10,12,19,22-25,28,30-31H2,2H3/t34-,39+,44-,45+,46+,47+/m0/s1
SMILES: CC(C)CC(=O)OC[C@]1([C@@H]2[C@H]([C@H]3[C@@H]1O3)C(=CO[C@H]2OC(=O)CC(C)C)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O
InChI: InChI=1S/C32H50O18/c1-12(2)5-17(34)46-11-32(42)20-19(27-28(32)50-27)14(8-43-29(20)49-18(35)6-13(3)4)9-44-30-26(41)24(39)22(37)16(48-30)10-45-31-25(40)23(38)21(36)15(7-33)47-31/h8,12-13,15-16,19-31,33,36-42H,5-7,9-11H2,1-4H3/t15-,16-,19-,20-,21-,22-,23+,24+,25-,26-,27+,28+,29+,30-,31-,32-/m1/s1
SMILES: CC1=NN(C2=C1[C@H]3[C@@H](C2)C3(C)C)C(=O)CC4=CC=CC=C4
InChI: InChI=1S/C18H20N2O/c1-11-16-14(10-13-17(16)18(13,2)3)20(19-11)15(21)9-12-7-5-4-6-8-12/h4-8,13,17H,9-10H2,1-3H3/t13-,17-/m1/s1
SMILES: COCCN1C(=O)C=C(C1=O)N[C@H]2[C@H]3COC(=O)[C@@H]3[C@@H](C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC
InChI: InChI=1S/C28H28N2O10/c1-35-5-4-30-22(31)10-17(27(30)33)29-25-15-9-19-18(39-12-40-19)8-14(15)23(24-16(25)11-38-28(24)34)13-6-20(36-2)26(32)21(7-13)37-3/h6-10,16,23-25,29,32H,4-5,11-12H2,1-3H3/t16-,23+,24-,25+/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)C2N(CC3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C21H23NO/c23-21(17-11-5-2-6-12-17)22(15-16-9-3-1-4-10-16)20-18-13-7-8-14-19(18)20/h1-6,9-12,18-20H,7-8,13-15H2/t18-,19+,20?
SMILES: C[C@]1(CC[C@H]2[C@H]1C[C@H]3[C@H](C[C@@]2(C)O)OC(=O)C3=C)O
InChI: InChI=1S/C15H22O4/c1-8-9-6-11-10(4-5-14(11,2)17)15(3,18)7-12(9)19-13(8)16/h9-12,17-18H,1,4-7H2,2-3H3/t9-,10+,11-,12+,14-,15-/m1/s1
SMILES: CCCN(C[C@@]1(CC[C@@H]2[C@@]1(CCC=C(CC[C@@H](CC3=CC(=C2C=C3)C(=O)C4=CC=CC=C4)O)C)C)O)C(=O)NC5=CC=CC=C5
InChI: InChI=1S/C39H48N2O4/c1-4-24-41(37(44)40-31-15-9-6-10-16-31)27-39(45)23-21-35-33-20-18-29(26-34(33)36(43)30-13-7-5-8-14-30)25-32(42)19-17-28(2)12-11-22-38(35,39)3/h5-10,12-16,18,20,26,32,35,42,45H,4,11,17,19,21-25,27H2,1-3H3,(H,40,44)/t32-,35-,38-,39+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC24OCCO4)CCC5=C3C=CC(=C5)C(F)(F)S(=O)(=O)N
InChI: InChI=1S/C21H27F2NO4S/c1-19-8-6-16-15-5-3-14(21(22,23)29(24,25)26)12-13(15)2-4-17(16)18(19)7-9-20(19)27-10-11-28-20/h3,5,12,16-18H,2,4,6-11H2,1H3,(H2,24,25,26)/t16-,17-,18+,19+/m1/s1
SMILES: CCN(CC)CCO/C=C\1/[C@@H]2[C@@H](C2(C)C)C[C@H](C1=O)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI: InChI=1S/C17H29NO2.C6H8O7/c1-6-18(7-2)8-9-20-11-13-15-14(17(15,4)5)10-12(3)16(13)19;7-3(8)1-6(13,5(11)12)2-4(9)10/h11-12,14-15H,6-10H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b13-11-;/t12-,14+,15-;/m1./s1
SMILES: CC(=O)O[C@H]1CCCC[C@@]1(C2=C(C3=CC=CC=C3N2)CC[N+](=O)[O-])C(=O)OC
InChI: InChI=1S/C20H24N2O6/c1-13(23)28-17-9-5-6-11-20(17,19(24)27-2)18-15(10-12-22(25)26)14-7-3-4-8-16(14)21-18/h3-4,7-8,17,21H,5-6,9-12H2,1-2H3/t17-,20+/m0/s1
SMILES: CC(=C)C[C@@H]1[C@@]23C=C[C@@H](O2)[C@H]([C@H]3C(=O)N1C4=CC=CC5=CC=CC=C54)C(=O)[O-]
InChI: InChI=1S/C23H21NO4/c1-13(2)12-18-23-11-10-17(28-23)19(22(26)27)20(23)21(25)24(18)16-9-5-7-14-6-3-4-8-15(14)16/h3-11,17-20H,1,12H2,2H3,(H,26,27)/p-1/t17-,18-,19-,20+,23-/m1/s1
SMILES: CN1C(=O)[C@H]2[C@@H](C1=O)[C@]([NH2+][C@@H]2C3=CC=CO3)(CCSC)C(=O)OC
InChI: InChI=1S/C16H20N2O5S/c1-18-13(19)10-11(14(18)20)16(6-8-24-3,15(21)22-2)17-12(10)9-5-4-7-23-9/h4-5,7,10-12,17H,6,8H2,1-3H3/p+1/t10-,11-,12+,16+/m0/s1
SMILES: CN(C)C[C@@]12C[C@H]3CCC[C@@H]3[C@@]1(C(=C(C2=O)OC)OC)O
InChI: InChI=1S/C16H25NO4/c1-17(2)9-15-8-10-6-5-7-11(10)16(15,19)14(21-4)12(20-3)13(15)18/h10-11,19H,5-9H2,1-4H3/t10-,11+,15-,16+/m1/s1
SMILES: CCOCC(=O)N(CC1=CC(=C(C=C1)Cl)Cl)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=CC=CC=C34)C(=O)NCCO
InChI: InChI=1S/C26H28Cl2N2O6/c1-2-35-14-22(32)30(13-15-7-8-18(27)19(28)11-15)20-12-17(26(34)29-9-10-31)23-16-5-3-4-6-21(16)36-25(23)24(20)33/h3-8,11-12,20,23-25,31,33H,2,9-10,13-14H2,1H3,(H,29,34)/t20-,23+,24+,25+/m1/s1
SMILES: COC1=C(C=CC(=C1)[C@H]2[C@@H](OC3=C(O2)C=C(C=C3)[C@@H]4[C@@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O
InChI: InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25+/m0/s1
SMILES: CCCC[C@]1([C@@H]2CN(C[C@@H]2C(=O)O1)[C@@H](C)C3=CC=CC=C3)OCC
InChI: InChI=1S/C20H29NO3/c1-4-6-12-20(23-5-2)18-14-21(13-17(18)19(22)24-20)15(3)16-10-8-7-9-11-16/h7-11,15,17-18H,4-6,12-14H2,1-3H3/t15-,17-,18+,20-/m0/s1
SMILES: CC(C1CCC2[C@@]1(CCC3C2CCC4[C@@]3(CC[C@H]5[C@@H]4OC(=O)C(=C(C)C)CN5)C)C)N(C)C
InChI: InChI=1S/C29H48N2O2/c1-17(2)20-16-30-25-13-15-29(5)23-12-14-28(4)21(18(3)31(6)7)10-11-22(28)19(23)8-9-24(29)26(25)33-27(20)32/h18-19,21-26,30H,8-16H2,1-7H3/t18?,19?,21?,22?,23?,24?,25-,26+,28+,29+/m0/s1
SMILES: C[C@@H]1C[C@H]1C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=CC=CC=C3Cl
InChI: InChI=1S/C18H15ClN2O2/c1-11-8-14(11)17-7-6-13(23-17)9-12(10-20)18(22)21-16-5-3-2-4-15(16)19/h2-7,9,11,14H,8H2,1H3,(H,21,22)/b12-9+/t11-,14-/m1/s1
SMILES: COC1=CC(=C(C=C1)[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)CCCCCC(=O)O)O
InChI: InChI=1S/C41H39NO8/c1-50-26-16-17-28(33(43)21-26)37-27-18-19-29-36(40(49)42(39(29)48)20-10-4-9-15-35(45)46)31(27)22-32-38(47)30(24-11-5-2-6-12-24)23-34(44)41(32,37)25-13-7-3-8-14-25/h2-3,5-8,11-14,16-18,21,23,29,31-32,36-37,43H,4,9-10,15,19-20,22H2,1H3,(H,45,46)/t29-,31+,32-,36-,37+,41-/m0/s1
SMILES: CC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=CC=C4)O)O)O
InChI: InChI=1S/C22H22O7/c1-2-16-19(24)20(25)21(26)22(29-16)28-13-8-9-14-17(10-13)27-11-15(18(14)23)12-6-4-3-5-7-12/h3-11,16,19-22,24-26H,2H2,1H3/t16-,19-,20+,21-,22-/m1/s1
SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]3C(=O)O)O4
InChI: InChI=1S/C20H17NO5/c22-19(17-15-10-11-16(26-15)18(17)20(23)24)21-12-6-8-14(9-7-12)25-13-4-2-1-3-5-13/h1-11,15-18H,(H,21,22)(H,23,24)/t15-,16+,17-,18+/m1/s1
SMILES: CC(=C)C(=O)NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O.CC(=C)C(=O)O
InChI: InChI=1S/C16H29NO11.C4H6O2/c1-6(2)15(26)17-3-7(20)10(22)14(8(21)4-18)28-16-13(25)12(24)11(23)9(5-19)27-16;1-3(2)4(5)6/h7-14,16,18-25H,1,3-5H2,2H3,(H,17,26);1H2,2H3,(H,5,6)/t7-,8+,9+,10+,11+,12-,13+,14+,16-;/m0./s1
SMILES: C[C@]12CCCC([C@@H]1CC[C@@]([C@@H]2CCC(=C)C=C)(C)O)(C)C
InChI: InChI=1S/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,16-17,21H,1-2,8-14H2,3-6H3/t16-,17+,19-,20+/m0/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](C3(O2)[C@@H](C[C@@](O3)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O)C)C)C)O)C
InChI: InChI=1S/C21H36O7/c1-8-14-20(7)17(24)13(5)21(28-20)10(2)9-19(6,27-21)16(23)11(3)15(22)12(4)18(25)26-14/h10-17,22-24H,8-9H2,1-7H3/t10-,11+,12-,13-,14-,15+,16-,17-,19-,20-,21?/m1/s1
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O
InChI: InChI=1S/C18H32O16/c19-1-5(23)9(24)16(34-18-15(30)13(28)11(26)7(3-21)32-18)8(4-22)33-17-14(29)12(27)10(25)6(2-20)31-17/h4-21,23-30H,1-3H2/t5-,6-,7-,8+,9-,10+,11+,12+,13+,14-,15-,16-,17-,18-/m1/s1
SMILES: COCC(=O)N=C1N([C@H]2CS(=O)(=O)C[C@@H]2S1)C3=CC=CC=C3Cl
InChI: InChI=1S/C14H15ClN2O4S2/c1-21-6-13(18)16-14-17(10-5-3-2-4-9(10)15)11-7-23(19,20)8-12(11)22-14/h2-5,11-12H,6-8H2,1H3/t11-,12-/m0/s1
SMILES: C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(CCC#N)O)C5=CC=C(C=C5)N(C)C
InChI: InChI=1S/C29H36N2O2/c1-28-18-25(19-5-8-21(9-6-19)31(2)3)27-23-12-10-22(32)17-20(23)7-11-24(27)26(28)13-15-29(28,33)14-4-16-30/h5-6,8-9,17,24-26,33H,4,7,10-15,18H2,1-3H3/t24-,25+,26-,28-,29-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)CSC2=NN=C(O2)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C19H23N3O4S/c1-11-4-3-5-14(12(11)2)20-17(23)9-27-19-22-21-18(26-19)13-6-7-15-16(8-13)25-10-24-15/h6-8,11-12,14H,3-5,9-10H2,1-2H3,(H,20,23)/t11-,12-,14+/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)F)O)CO)CO)O)O)O)O
InChI: InChI=1S/C18H31FO15/c19-7-9(24)14(5(2-21)30-16(7)29)33-18-13(28)11(26)15(6(3-22)32-18)34-17-12(27)10(25)8(23)4(1-20)31-17/h4-18,20-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16?,17+,18+/m1/s1
SMILES: C[C@@]1([C@](O[C@@H](CO1)[C@@H](CC(=O)C2=CC=CC=C2)O)(C)OC)OC
InChI: InChI=1S/C17H24O6/c1-16(20-3)17(2,21-4)23-15(11-22-16)14(19)10-13(18)12-8-6-5-7-9-12/h5-9,14-15,19H,10-11H2,1-4H3/t14-,15+,16-,17-/m1/s1
SMILES: C[C@@H]1CC2C[C@@H]([C@@]3([C@@H](C2C[C@@]1(C)CCC4=CC(=O)OC4)CCC[C@]35CO5)COC(=O)C)OC(=O)C
InChI: InChI=1S/C28H40O7/c1-17-10-21-12-24(35-19(3)30)28(16-33-18(2)29)23(6-5-8-27(28)15-34-27)22(21)13-26(17,4)9-7-20-11-25(31)32-14-20/h11,17,21-24H,5-10,12-16H2,1-4H3/t17-,21?,22?,23-,24+,26-,27+,28+/m1/s1
SMILES: C[C@]12CCCC(C1CCC(=C)[C@@H]2C[C@]34[C@H](O3)C(=O)C(=CC4=O)COC(=O)C[C@](C)(CC(=O)O)O)(C)C
InChI: InChI=1S/C28H38O8/c1-16-7-8-19-25(2,3)9-6-10-27(19,5)18(16)12-28-20(29)11-17(23(33)24(28)36-28)15-35-22(32)14-26(4,34)13-21(30)31/h11,18-19,24,34H,1,6-10,12-15H2,2-5H3,(H,30,31)/t18-,19?,24+,26-,27+,28-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H]2[C@]1([C@H]([C@@H](C(=C2)C)OC(=O)C)OC(=O)[C@@H]3C[C@@]4([C@H](N3)ON(C5=C4C=CC=C5Cl)C)O)O)C(C)CNCC6=CC(=CC(=C6)Cl)Cl
InChI: InChI=1S/C36H44Cl3N3O7/c1-18-11-27-25(19(2)16-40-17-22-12-23(37)14-24(38)13-22)10-9-20(3)36(27,46)32(31(18)47-21(4)43)48-33(44)29-15-35(45)26-7-6-8-28(39)30(26)42(5)49-34(35)41-29/h6-8,11-14,19-20,25,27,29,31-32,34,40-41,45-46H,9-10,15-17H2,1-5H3/t19?,20-,25+,27-,29+,31-,32+,34-,35-,36-/m1/s1
SMILES: C[C@@H]1CCC(=O)N1[C@@H]2[C@H](C(OC3=C2C=C(C=C3)C#N)(C)C)O
InChI: InChI=1S/C17H20N2O3/c1-10-4-7-14(20)19(10)15-12-8-11(9-18)5-6-13(12)22-17(2,3)16(15)21/h5-6,8,10,15-16,21H,4,7H2,1-3H3/t10-,15+,16-/m1/s1
SMILES: CCOC1=CC=CC=C1N2CCN(CC2)C(=O)[C@@H]3[C@@H](C4CCC3CC4)C(=O)[O-]
InChI: InChI=1S/C22H30N2O4/c1-2-28-18-6-4-3-5-17(18)23-11-13-24(14-12-23)21(25)19-15-7-9-16(10-8-15)20(19)22(26)27/h3-6,15-16,19-20H,2,7-14H2,1H3,(H,26,27)/p-1/t15?,16?,19-,20+/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)C5=C(C(=C(C(=C5F)F)F)F)F)CN(C)[C@H](C)C6=CC7=CC=CC=C7C=C6
InChI: InChI=1S/C46H41F5N2O4/c1-26-37(24-53(3)27(2)32-19-18-30-9-4-5-10-34(30)21-32)56-46(57-44(26)31-16-14-28(25-54)15-17-31)36-13-7-12-35(22-36)33-11-6-8-29(20-33)23-52-45(55)38-39(47)41(49)43(51)42(50)40(38)48/h4-22,26-27,37,44,46,54H,23-25H2,1-3H3,(H,52,55)/t26-,27+,37+,44+,46+/m0/s1
SMILES: CC1CC1OCC2=CC(=CC(=C2)N(C)S(=O)(=O)C)C(=O)N[C@@H]3CCN[C@H]3CC4=CC(=CC=C4)Cl
InChI: InChI=1S/C25H32ClN3O4S/c1-16-9-24(16)33-15-18-10-19(14-21(12-18)29(2)34(3,31)32)25(30)28-22-7-8-27-23(22)13-17-5-4-6-20(26)11-17/h4-6,10-12,14,16,22-24,27H,7-9,13,15H2,1-3H3,(H,28,30)/t16?,22-,23+,24?/m1/s1
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)SC1)C(=O)O
InChI: InChI=1S/C29H26N2O5S/c1-19(32)36-17-20-18-37-27-24(26(33)31(27)25(20)28(34)35)30-29(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24,27,30H,17-18H2,1H3,(H,34,35)/t24-,27-/m1/s1
SMILES: CC1=C(C=C(C=C1)NC(=O)[C@@H]2[C@H](NC(=O)NC2=C)C3=C(C=CC=C3F)F)Cl
InChI: InChI=1S/C19H16ClF2N3O2/c1-9-6-7-11(8-12(9)20)24-18(26)15-10(2)23-19(27)25-17(15)16-13(21)4-3-5-14(16)22/h3-8,15,17H,2H2,1H3,(H,24,26)(H2,23,25,27)/t15-,17-/m0/s1
SMILES: CC[Si](CC)(CC)O[C@H]1[C@H]([C@@H]([C@@H](CC(=O)[C@H]1C)C)OCOC)C
InChI: InChI=1S/C18H36O4Si/c1-8-23(9-2,10-3)22-18-14(5)16(19)11-13(4)17(15(18)6)21-12-20-7/h13-15,17-18H,8-12H2,1-7H3/t13-,14-,15+,17-,18-/m1/s1
SMILES: CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4C(=O)C6=C[C@H]([C@H]([C@H](O6)OCC)CCOCCOCCO)C7=C(N(N(C7=O)C8=CC=CC=C8)C)C)OC)OC)OC)OC
InChI: InChI=1S/C54H72N4O11/c1-9-35-33-56-19-16-36-28-46(62-5)48(64-7)30-41(36)44(56)26-38(35)27-45-42-31-49(65-8)47(63-6)29-37(42)17-20-57(45)52(60)50-32-43(40(54(69-50)68-10-2)18-22-66-24-25-67-23-21-59)51-34(3)55(4)58(53(51)61)39-14-12-11-13-15-39/h11-15,28-32,35,38,40,43-45,54,59H,9-10,16-27,33H2,1-8H3/t35-,38+,40+,43+,44-,45+,54-/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@@H](CC[C@]2(CC3=C1N=C(S3)NC4=CC=CC=C4)C)[C@H](C)C(=O)N5CCOCC5)O
InChI: InChI=1S/C26H35N3O3S/c1-16(24(31)29-11-13-32-14-12-29)19-9-10-26(3)15-20-22(17(2)21(26)23(19)30)28-25(33-20)27-18-7-5-4-6-8-18/h4-8,16-17,19,21,23,30H,9-15H2,1-3H3,(H,27,28)/t16-,17-,19-,21+,23-,26-/m0/s1
SMILES: CN1CC=C2[C@@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CC=C3)Cl
InChI: InChI=1S/C19H16ClN5/c1-25-6-5-14-15(8-21)18(24)19(10-22,11-23)17(16(14)9-25)12-3-2-4-13(20)7-12/h2-5,7,16-17H,6,9,24H2,1H3/t16-,17+/m1/s1
SMILES: CC1=C([C@H]([C@H]2C(=N1)CCCC2=O)C3=CC=CS3)C(=O)OC4CCCCCC4
InChI: InChI=1S/C22H27NO3S/c1-14-19(22(25)26-15-8-4-2-3-5-9-15)21(18-12-7-13-27-18)20-16(23-14)10-6-11-17(20)24/h7,12-13,15,20-21H,2-6,8-11H2,1H3/t20-,21+/m0/s1
SMILES: CCSC(C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)SCC
InChI: InChI=1S/C27H44O2S2/c1-7-30-27(6,31-8-2)24-12-11-22-21-10-9-19-17-20(29-18(3)28)13-15-25(19,4)23(21)14-16-26(22,24)5/h9,20-24H,7-8,10-17H2,1-6H3/t20-,21-,22-,23-,24-,25-,26-/m0/s1
SMILES: CC(=O)OC1=C(C=CC=C1OC)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C(N=CN=C43)NCC5=CC=CC6=CC=CC=C65)CO)O
InChI: InChI=1S/C31H30N6O7/c1-17(39)43-27-21(11-6-12-22(27)42-2)30(41)36-24-26(40)23(14-38)44-31(24)37-16-35-25-28(33-15-34-29(25)37)32-13-19-9-5-8-18-7-3-4-10-20(18)19/h3-12,15-16,23-24,26,31,38,40H,13-14H2,1-2H3,(H,36,41)(H,32,33,34)/t23-,24-,26-,31-/m1/s1
SMILES: C1[C@H]2[C@H]3[C@H]4[C@@H]1[C@@H]5[C@@H]2[C@H]6[C@H]3[C@@H]4[C@@]5(O6)NNC7=CC=CC=C7
InChI: InChI=1S/C17H18N2O/c1-2-4-7(5-3-1)18-19-17-14-9-6-8-10-11(9)15(17)13(10)16(20-17)12(8)14/h1-5,8-16,18-19H,6H2/t8-,9+,10-,11+,12+,13+,14+,15+,16-,17+/m0/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OC[C@@H]1[C@@H]([C@@H](C=CO1)O[Si](C(C)C)(C(C)C)C(C)C)O
InChI: InChI=1S/C24H50O4Si2/c1-16(2)29(17(3)4,18(5)6)27-15-23-24(25)22(13-14-26-23)28-30(19(7)8,20(9)10)21(11)12/h13-14,16-25H,15H2,1-12H3/t22-,23-,24-/m1/s1
SMILES: CCCCCCCCCCCCCC[C@H]([C@@H]1[C@@H](N(C(=O)O1)CC2=CC=CC=C2)COCC3=CC=CC=C3)O
InChI: InChI=1S/C33H49NO4/c1-2-3-4-5-6-7-8-9-10-11-12-19-24-31(35)32-30(27-37-26-29-22-17-14-18-23-29)34(33(36)38-32)25-28-20-15-13-16-21-28/h13-18,20-23,30-32,35H,2-12,19,24-27H2,1H3/t30-,31+,32-/m0/s1
SMILES: [C-]#[O+].[C-]#[O+].[C-]#[O+].C1CC[C@@H]([C@H](C1)C2[CH][CH][CH][CH][CH]2)O.[Mn]
InChI: InChI=1S/C12H17O.3CO.Mn/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;3*1-2;/h1-3,6-7,10-13H,4-5,8-9H2;;;;/t11-,12+;;;;/m1..../s1
SMILES: C1=CC(=CC=C1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)N3C=NC4=C(N=CN=C43)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N5C(=O)C=CC5=O
InChI: InChI=1S/C21H21N6O16P3/c22-18-15-19(24-8-23-18)26(9-25-15)20-16(30)17(12(40-20)7-39-45(35,36)43-46(37,38)42-44(32,33)34)41-21(31)10-1-3-11(4-2-10)27-13(28)5-6-14(27)29/h1-6,8-9,12,16-17,20,30H,7H2,(H,35,36)(H,37,38)(H2,22,23,24)(H2,32,33,34)/t12-,16-,17-,20-/m1/s1
SMILES: CC(=O)OC1[C@@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C28H30O6/c1-21(29)33-28-27(32-19-24-15-9-4-10-16-24)26(31-18-23-13-7-3-8-14-23)25(34-28)20-30-17-22-11-5-2-6-12-22/h2-16,25-28H,17-20H2,1H3/t25-,26-,27-,28?/m1/s1
SMILES: CCCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)C(=O)NC1=CC2=CC=CC=C2C=C1.CCOC1=C(C2=CC=CC=C2C=C1)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O
InChI: InChI=1S/C24H33N3O4.C21H22N2O5S/c1-4-5-8-19(15-22(28)27-31)23(29)26-21(13-16(2)3)24(30)25-20-12-11-17-9-6-7-10-18(17)14-20;1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h6-7,9-12,14,16,19,21,31H,4-5,8,13,15H2,1-3H3,(H,25,30)(H,26,29)(H,27,28);5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27)/t19-,21+;15-,16+,19-/m11/s1
SMILES: C(CCC(=O)O)CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C12H21NO8/c14-5-6-9(18)10(19)11(20)12(21-6)13-7(15)3-1-2-4-8(16)17/h6,9-12,14,18-20H,1-5H2,(H,13,15)(H,16,17)/t6-,9-,10+,11-,12-/m1/s1
SMILES: C[C@H]([C@@H]1[C@H]2[C@@]3([C@@](C[C@H](O3)OC)([C@@H](N2C1=O)C(=O)OCC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C32H43NO8SSi/c1-21(41-43(7,8)30(2,3)4)25-26-31(5)32(19-24(38-6)40-31,42(36,37)23-17-13-10-14-18-23)27(33(26)28(25)34)29(35)39-20-22-15-11-9-12-16-22/h9-18,21,24-27H,19-20H2,1-8H3/t21-,24+,25-,26+,27+,31-,32-/m1/s1
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CN2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC(=C(C=C4)C)C)N=N2
InChI: InChI=1S/C22H23N5O3/c1-12-8-9-16(10-15(12)4)27-21(29)19-20(22(27)30)26(25-24-19)11-17(28)23-18-13(2)6-5-7-14(18)3/h5-10,19-20H,11H2,1-4H3,(H,23,28)/t19-,20+/m0/s1
SMILES: C[C@H]1C=CCC(=O)OC[C@@H]([C@H](C=CCC(=O)OC[C@@H]1OC)C)OC
InChI: InChI=1S/C18H28O6/c1-13-7-5-9-17(19)24-12-16(22-4)14(2)8-6-10-18(20)23-11-15(13)21-3/h5-8,13-16H,9-12H2,1-4H3/t13-,14-,15-,16-/m0/s1
SMILES: C1[C@H]([C@H](O[C@H](O1)CCCCCOC2=C(C=CC(=C2)C(=O)O)OCCN3C=CN=C3)C4=CC=CC=C4O)C/C=C\CCC(=O)O
InChI: InChI=1S/C33H40N2O9/c36-27-11-7-6-10-26(27)32-25(9-3-1-4-12-30(37)38)22-43-31(44-32)13-5-2-8-19-41-29-21-24(33(39)40)14-15-28(29)42-20-18-35-17-16-34-23-35/h1,3,6-7,10-11,14-17,21,23,25,31-32,36H,2,4-5,8-9,12-13,18-20,22H2,(H,37,38)(H,39,40)/b3-1-/t25-,31+,32+/m1/s1
SMILES: C1COC2=C(O1)C=CC(=C2)N3CC(=O)N[C@H]4[C@@H]3CS(=O)(=O)C4
InChI: InChI=1S/C14H16N2O5S/c17-14-6-16(11-8-22(18,19)7-10(11)15-14)9-1-2-12-13(5-9)21-4-3-20-12/h1-2,5,10-11H,3-4,6-8H2,(H,15,17)/t10-,11+/m1/s1
SMILES: C[C@@H]1CC2[C@@H](O[C@]3(C1[C@]4(CC[C@@]56C[C@@]57CCC(=O)C(C7CCC6[C@@]4([C@H]3O)C)(C)C)C)O2)C(C)(C)O
InChI: InChI=1S/C30H46O5/c1-16-14-17-22(25(4,5)33)35-30(34-17)21(16)26(6)12-13-29-15-28(29)11-10-20(31)24(2,3)18(28)8-9-19(29)27(26,7)23(30)32/h16-19,21-23,32-33H,8-15H2,1-7H3/t16-,17?,18?,19?,21?,22-,23-,26-,27-,28-,29+,30+/m1/s1
SMILES: CCCCC1=C[C@]23[C@@H](C(=O)C[C@H]2CC(=O)[C@]34[C@H]1C=CS4)C
InChI: InChI=1S/C18H22O2S/c1-3-4-5-12-10-17-11(2)15(19)8-13(17)9-16(20)18(17)14(12)6-7-21-18/h6-7,10-11,13-14H,3-5,8-9H2,1-2H3/t11-,13+,14+,17+,18-/m1/s1
SMILES: C1CO[C@H]2[C@@H]1[C@H]3CCO[C@@]34[C@@]2(C5=CC=CC=C5C4=O)O
InChI: InChI=1S/C16H16O4/c17-13-9-3-1-2-4-11(9)15(18)14-10(5-7-19-14)12-6-8-20-16(12,13)15/h1-4,10,12,14,18H,5-8H2/t10-,12+,14-,15-,16-/m0/s1
SMILES: CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F.C[N+]1(C2CC(CC1[C@@H]3[C@H]2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C.[Br-]
InChI: InChI=1S/C19H22NO4S2.C17H14F3N3O2S.BrH/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;2-10H,1H3,(H2,21,24,25);1H/q+1;;/p-1/t11?,12?,13?,16-,17+;;
SMILES: C[C@@H]1[C@@H]([C@H]1/C=C/[C@H]2[C@@H]([C@H](C[C@H](O2)CC(=O)OC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C33H66O6Si3/c1-23-25(26(23)22-36-40(12,13)31(2,3)4)18-19-27-30(39-42(16,17)33(8,9)10)28(38-41(14,15)32(5,6)7)20-24(37-27)21-29(34)35-11/h18-19,23-28,30H,20-22H2,1-17H3/b19-18+/t23-,24-,25-,26-,27-,28-,30-/m0/s1