EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H]1CC2=C([C@@H](C(=C(N2)C)C(=O)OC(C)C)C3=CC(=C(C=C3)OC)O)C(=O)[C@@H]1C(=O)OC
InChI: InChI=1S/C24H29NO7/c1-11(2)32-24(29)19-13(4)25-15-9-12(3)18(23(28)31-6)22(27)21(15)20(19)14-7-8-17(30-5)16(26)10-14/h7-8,10-12,18,20,25-26H,9H2,1-6H3/t12-,18+,20+/m0/s1
SMILES: CCOC1=C(C=C2C(=C1)[C@H]3C[C@H](C=C[C@H]3N=C2C4=NC=CN=C4)O)OC
InChI: InChI=1S/C20H21N3O3/c1-3-26-19-9-13-14-8-12(24)4-5-16(14)23-20(15(13)10-18(19)25-2)17-11-21-6-7-22-17/h4-7,9-12,14,16,24H,3,8H2,1-2H3/t12-,14+,16+/m0/s1
SMILES: C1CN(CCC1N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)CC5=C([C@H]4C6=C(C=C(C=C6)O)Cl)C(=O)C=C(C5=O)Br)CC7=CC=CC=C7
InChI: InChI=1S/C34H30BrClN2O5/c35-26-16-28(40)31-25(32(26)41)15-24-21(29(31)22-7-6-20(39)14-27(22)36)8-9-23-30(24)34(43)38(33(23)42)19-10-12-37(13-11-19)17-18-4-2-1-3-5-18/h1-8,14,16,19,23-24,29-30,39H,9-13,15,17H2/t23-,24+,29+,30-/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)NC4=CC=CC=C4
InChI: InChI=1S/C15H14N2O2/c18-14-12-9-6-7-10(8-9)13(12)15(19)17(14)16-11-4-2-1-3-5-11/h1-7,9-10,12-13,16H,8H2/t9-,10+,12-,13+
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)OP(=O)(O)OP(=O)(O)O)N=[N+]=[N-]
InChI: InChI=1S/C10H16N5O12P3S/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(25-8)4-24-30(23,31)27-29(21,22)26-28(18,19)20/h3,6-8H,2,4H2,1H3,(H,21,22)(H,23,31)(H,12,16,17)(H2,18,19,20)/t6-,7+,8+,30?/m0/s1
SMILES: C/C(=N/OC)/[C@@]1([C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O)Br
InChI: InChI=1S/C11H15BrN2O4S/c1-5(13-18-4)11(12)8(17)14-6(7(15)16)10(2,3)19-9(11)14/h6,9H,1-4H3,(H,15,16)/b13-5-/t6-,9+,11+/m0/s1
SMILES: COC(=O)[C@]12[C@@H]3[C@]1(CCC[C@@H](C3=O)C24CC4)OCC5=CC=CC=C5
InChI: InChI=1S/C20H22O4/c1-23-17(22)20-16-15(21)14(18(20)10-11-18)8-5-9-19(16,20)24-12-13-6-3-2-4-7-13/h2-4,6-7,14,16H,5,8-12H2,1H3/t14-,16-,19-,20-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@]12C[C@@H](CCC13OCCO3)N4[C@@H]2CCC4
InChI: InChI=1S/C18H33NO3Si/c1-16(2,3)23(4,5)22-17-13-14(19-10-6-7-15(17)19)8-9-18(17)20-11-12-21-18/h14-15H,6-13H2,1-5H3/t14-,15-,17-/m1/s1
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)CC2=CC=C(C=C2)C[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)/C)/C
InChI: InChI=1S/C34H44O7/c1-21(11-16-27-23(3)10-7-17-34(27,4)5)8-6-9-22(2)18-26(35)19-24-12-14-25(15-13-24)20-28-29(36)30(37)31(38)32(41-28)33(39)40/h6,8-9,11-16,18,28-32,36-38H,7,10,17,19-20H2,1-5H3,(H,39,40)/b9-6+,16-11+,21-8+,22-18+/t28-,29-,30+,31-,32-/m0/s1
SMILES: CCN1C(=O)[C@H]2[C@H](C1=O)[C@](N[C@H]2C3=CC=CC=C3F)(C)C(=O)OCC
InChI: InChI=1S/C18H21FN2O4/c1-4-21-15(22)12-13(16(21)23)18(3,17(24)25-5-2)20-14(12)10-8-6-7-9-11(10)19/h6-9,12-14,20H,4-5H2,1-3H3/t12-,13+,14-,18+/m0/s1
SMILES: CC1=CC=C(S1)C(=O)C2=C[C@]34CC(CC[C@@]3([C@@H]5[C@]2(C=C4)[C@@H]6CC[C@]([C@]6(CC5)C)(CN(C[C@@H]7CC[C@H]8C[C@@H]7C8(C)C)C(=O)[C@]91CC[C@](C9(C)C)(C(=O)O1)C)O)C)O
InChI: InChI=1S/C48H65NO6S/c1-28-9-12-34(56-28)37(51)33-25-45-20-21-47(33)35(42(45,6)16-13-31(50)24-45)14-17-43(7)36(47)15-18-46(43,54)27-49(26-29-10-11-30-23-32(29)40(30,2)3)38(52)48-22-19-44(8,39(53)55-48)41(48,4)5/h9,12,20-21,25,29-32,35-36,50,54H,10-11,13-19,22-24,26-27H2,1-8H3/t29-,30-,31?,32-,35+,36+,42+,43-,44-,45-,46+,47+,48+/m0/s1
SMILES: CC1=CC(=CC=C1)N2[C@H]3[C@@H](C(=N2)C(=O)OC)C(=O)N(C3=O)C4=CC=CC=C4OC
InChI: InChI=1S/C21H19N3O5/c1-12-7-6-8-13(11-12)24-18-16(17(22-24)21(27)29-3)19(25)23(20(18)26)14-9-4-5-10-15(14)28-2/h4-11,16,18H,1-3H3/t16-,18+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C6=CC=C(C=C6)O)C(=O)N(C5=O)C(=O)N)C(=O)N(C3=O)NC7=C(C=C(C=C7)Cl)Cl
InChI: InChI=1S/C34H28Cl2N4O7/c1-47-20-9-4-17(5-10-20)34-24(30(43)40(32(34)45)38-26-13-6-18(35)14-25(26)36)15-23-21(28(34)16-2-7-19(41)8-3-16)11-12-22-27(23)31(44)39(29(22)42)33(37)46/h2-11,13-14,22-24,27-28,38,41H,12,15H2,1H3,(H2,37,46)/t22-,23+,24-,27-,28-,34+/m0/s1
SMILES: CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O
InChI: InChI=1S/C22H26N4O3/c1-24(14-16-13-23-26(15-16)17-7-3-2-4-8-17)20(27)11-12-25-21(28)18-9-5-6-10-19(18)22(25)29/h2-4,7-8,13,15,18-19H,5-6,9-12,14H2,1H3/t18-,19-/m1/s1
SMILES: CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=C(C(=O)NC5=O)C#CC[Si](C)(C)C
InChI: InChI=1S/C45H57N4O8PSi/c1-32(2)49(33(3)4)58(55-27-14-26-46)57-40-29-42(48-30-34(43(50)47-44(48)51)15-13-28-59(7,8)9)56-41(40)31-54-45(35-16-11-10-12-17-35,36-18-22-38(52-5)23-19-36)37-20-24-39(53-6)25-21-37/h10-12,16-25,30,32-33,40-42H,14,27-29,31H2,1-9H3,(H,47,50,51)/t40-,41+,42+,58?/m0/s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O)C5=CC=C(C=C5)C(=O)OC)CCOCCOCCO
InChI: InChI=1S/C34H43N3O9/c1-3-45-33-26(14-18-43-20-21-44-19-17-38)27(23-8-10-24(11-9-23)32(40)42-2)22-30(46-33)31(39)36-15-12-25(13-16-36)37-29-7-5-4-6-28(29)35-34(37)41/h4-11,22,25-27,33,38H,3,12-21H2,1-2H3,(H,35,41)/t26-,27+,33+/m0/s1
SMILES: CCCCCC(C(C)CCC)C(=O)OC[C@@H]([C@@H]1C(=O)C(C(=O)O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
InChI: InChI=1S/C24H40O12/c1-4-6-7-9-13(12(3)8-5-2)22(31)33-11-14(26)20-19(30)21(23(32)35-20)36-24-18(29)17(28)16(27)15(10-25)34-24/h12-18,20-21,24-29H,4-11H2,1-3H3/t12?,13?,14-,15+,16+,17-,18+,20+,21?,24+/m0/s1
SMILES: CC1=C(C2=CC=CC=C2N1)C(=O)[C@@H](C)OC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C23H24N2O5/c1-13-20(17-9-5-6-10-18(17)24-13)21(27)14(2)30-19(26)11-12-25-22(28)15-7-3-4-8-16(15)23(25)29/h3-6,9-10,14-16,24H,7-8,11-12H2,1-2H3/t14-,15+,16+/m1/s1
SMILES: CN([C@H]1CC(=NOCC2=CC=CC=C2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OCC6=CC=CC=C6F)OCC=C)CCCCO)CCCCO)S(=O)(=O)C7=CC=CC8=C7N=CC=C8
InChI: InChI=1S/C51H56FN3O8S/c1-3-29-61-51-47(55(2)64(58,59)46-23-13-19-36-20-14-26-53-50(36)46)32-44(54-62-33-35-15-5-4-6-16-35)41-30-37(17-9-11-27-56)40(21-10-12-28-57)48(49(41)51)42-31-39(24-25-45(42)63-51)60-34-38-18-7-8-22-43(38)52/h3-8,13-16,18-20,22-26,30-31,37,40,47-49,56-57H,1,9-12,17,21,27-29,32-34H2,2H3/t37-,40+,47-,48+,49+,51+/m0/s1
SMILES: COC1=C(C=C(C=C1)C2=NOC(=N2)CCCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)OC
InChI: InChI=1S/C21H23N3O5/c1-27-16-10-9-13(12-17(16)28-2)19-22-18(29-23-19)8-5-11-24-20(25)14-6-3-4-7-15(14)21(24)26/h3-4,9-10,12,14-15H,5-8,11H2,1-2H3/t14-,15-/m0/s1
SMILES: C[C@H](C(=O)NCCOC)OC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O
InChI: InChI=1S/C17H26N2O6/c1-11(15(21)18-8-10-24-2)25-14(20)7-9-19-16(22)12-5-3-4-6-13(12)17(19)23/h11-13H,3-10H2,1-2H3,(H,18,21)/t11-,12-,13+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)SC2=NC3=CC=CC=C3C(=O)N2CCOC
InChI: InChI=1S/C22H31N3O3S/c1-14-8-7-11-18(15(14)2)23-20(26)16(3)29-22-24-19-10-6-5-9-17(19)21(27)25(22)12-13-28-4/h5-6,9-10,14-16,18H,7-8,11-13H2,1-4H3,(H,23,26)/t14-,15+,16+,18+/m0/s1
SMILES: C[C@H](CCC(C)C(C)(C)OC(=O)C)C1CCC2[C@@]1(CCC3C2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)C
InChI: InChI=1S/C30H52O5/c1-18(8-9-19(2)27(4,5)35-20(3)31)23-10-11-24-22-16-26(33)30(34)17-21(32)12-15-29(30,7)25(22)13-14-28(23,24)6/h18-19,21-26,32-34H,8-17H2,1-7H3/t18-,19?,21+,22?,23?,24?,25?,26-,28-,29-,30+/m1/s1
SMILES: CC1=CC(=CC=C1)CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)N
InChI: InChI=1S/C18H22N6O3/c1-10-3-2-4-11(5-10)6-20-16-14-17(22-8-21-16)24(9-23-14)18-13(19)15(26)12(7-25)27-18/h2-5,8-9,12-13,15,18,25-26H,6-7,19H2,1H3,(H,20,21,22)/t12-,13-,15-,18-/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)C4=CN=CC=C4)CN5CCOCC5
InChI: InChI=1S/C30H35N3O5/c1-21-27(19-33-13-15-36-16-14-33)37-30(38-28(21)24-8-6-23(20-34)7-9-24)25-10-4-22(5-11-25)17-32-29(35)26-3-2-12-31-18-26/h2-12,18,21,27-28,30,34H,13-17,19-20H2,1H3,(H,32,35)/t21-,27+,28+,30+/m1/s1
SMILES: C[C@H](C(=O)NC(=O)NC1CCCCC1)OC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C20H29N3O6/c1-12(17(25)22-20(28)21-13-7-3-2-4-8-13)29-16(24)11-23-18(26)14-9-5-6-10-15(14)19(23)27/h12-15H,2-11H2,1H3,(H2,21,22,25,28)/t12-,14+,15+/m1/s1
SMILES: C1[C@H]([C@@](CC1=O)(COCC2=CC=CC=C2)C#N)N3[C@@H]([C@@H](OC3=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C29H26N2O4/c30-19-29(20-34-18-21-10-4-1-5-11-21)17-24(32)16-25(29)31-26(22-12-6-2-7-13-22)27(35-28(31)33)23-14-8-3-9-15-23/h1-15,25-27H,16-18,20H2/t25-,26-,27+,29-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)C
InChI: InChI=1S/C22H27N3O5/c1-14-8-6-7-11-18(14)25-21(29)20(28)24(22(25)30)13-19(27)23-17(15(2)26)12-16-9-4-3-5-10-16/h3-5,9-10,14,17-18H,6-8,11-13H2,1-2H3,(H,23,27)/t14-,17+,18+/m1/s1
SMILES: C1[C@H]([C@@H](C(=O)C=C1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CS4
InChI: InChI=1S/C22H18O3S2/c23-20-15-17(16-8-3-1-4-9-16)14-19(21-12-7-13-26-21)22(20)27(24,25)18-10-5-2-6-11-18/h1-13,15,19,22H,14H2/t19-,22-/m0/s1
SMILES: C1[C@H]2[C@H](CS1(=O)=O)N(C(=O)N2C3=CC=C(C=C3)F)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C17H14ClFN2O3S/c18-11-2-1-3-14(8-11)21-16-10-25(23,24)9-15(16)20(17(21)22)13-6-4-12(19)5-7-13/h1-8,15-16H,9-10H2/t15-,16-/m0/s1
SMILES: CCC(CC)(CCS[C@@H](C)C1=CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3([C@H](C[C@@H](C4)O)O[Si](C)(C)C(C)(C)C)C)C)O
InChI: InChI=1S/C34H58O3SSi/c1-11-34(36,12-2)19-20-38-23(3)27-15-16-28-26-14-13-24-21-25(35)22-30(37-39(9,10)31(4,5)6)33(24,8)29(26)17-18-32(27,28)7/h13-15,23,25,28-30,35-36H,11-12,16-22H2,1-10H3/t23-,25+,28-,29-,30-,32+,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)C4=C(C(=C(C(=C4F)F)F)F)F)CSC5=CC=C(C=C5)NC(=O)C
InChI: InChI=1S/C34H29F5N2O5S/c1-17-25(16-47-24-12-10-22(11-13-24)40-18(2)43)45-34(46-32(17)20-8-6-19(15-42)7-9-20)21-4-3-5-23(14-21)41-33(44)26-27(35)29(37)31(39)30(38)28(26)36/h3-14,17,25,32,34,42H,15-16H2,1-2H3,(H,40,43)(H,41,44)/t17-,25+,32+,34+/m0/s1
SMILES: C[C@H]1CC(=O)[C@@H]([C@@H]1C[N+](=O)[O-])CC(=O)OCC(=O)NC
InChI: InChI=1S/C12H18N2O6/c1-7-3-10(15)8(9(7)5-14(18)19)4-12(17)20-6-11(16)13-2/h7-9H,3-6H2,1-2H3,(H,13,16)/t7-,8+,9+/m0/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=CC=CC=C4O)Cl)C5=C(C(=C(C(=C5F)F)F)F)F)Cl)[C@@H]6[C@H]1C(=O)N(C6=O)CC7=CC=CC=C7
InChI: InChI=1S/C33H21Cl2F5N2O5/c34-32-12-18-15(10-11-17-20(18)29(45)41(28(17)44)13-14-6-2-1-3-7-14)21(16-8-4-5-9-19(16)43)33(32,35)31(47)42(30(32)46)27-25(39)23(37)22(36)24(38)26(27)40/h1-10,17-18,20-21,43H,11-13H2/t17-,18+,20-,21+,32+,33-/m0/s1
SMILES: C[C@H]([C@@H]1[C@H](NC1=O)[C@H](C)C(=O)OC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C15H29NO4Si/c1-9(14(18)19-6)12-11(13(17)16-12)10(2)20-21(7,8)15(3,4)5/h9-12H,1-8H3,(H,16,17)/t9-,10+,11+,12+/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)CCCCBr)O)O)O
InChI: InChI=1S/C12H23BrN2O4/c1-7-10(17)12(19)11(18)8(15-7)6-14-9(16)4-2-3-5-13/h7-8,10-12,15,17-19H,2-6H2,1H3,(H,14,16)/t7-,8+,10+,11+,12+/m0/s1
SMILES: CCO[C@@H]1[C@H](CC(=O)[C@H](O1)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5(OCCO5)C
InChI: InChI=1S/C31H34O6/c1-3-33-29-26(30(2)34-19-20-35-30)21-27(32)28(37-29)22-36-31(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,26,28-29H,3,19-22H2,1-2H3/t26-,28+,29-/m0/s1
SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COC(=O)CCCCCCCCCCCCCCC(=O)OCC(Cl)(Cl)Cl)O)O
InChI: InChI=1S/C27H42Cl3N3O8/c28-27(29,30)18-40-22(35)14-12-10-8-6-4-2-1-3-5-7-9-11-13-21(34)39-17-19-23(36)24(37)25(41-19)33-16-15-20(31)32-26(33)38/h15-16,19,23-25,36-37H,1-14,17-18H2,(H2,31,32,38)/t19-,23-,24+,25-/m1/s1
SMILES: CC(=O)O[C@@H]1C[C@]2([C@](O2)(C(C1)(C)C)C3=CC=CC=C3)C
InChI: InChI=1S/C17H22O3/c1-12(18)19-14-10-15(2,3)17(16(4,11-14)20-17)13-8-6-5-7-9-13/h5-9,14H,10-11H2,1-4H3/t14-,16-,17+/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)NC3=NC4=CC=CC=C4S3
InChI: InChI=1S/C18H19N3O3S/c22-15(20-18-19-13-7-3-4-8-14(13)25-18)9-10-21-16(23)11-5-1-2-6-12(11)17(21)24/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H,19,20,22)/t11-,12+
SMILES: CN([C@H]1CC[C@]2(CCCO2)C[C@@H]1N3CCCC3)C(=O)CC4=CC(=CC=C4)C(F)(F)F
InChI: InChI=1S/C23H31F3N2O2/c1-27(21(29)15-17-6-4-7-18(14-17)23(24,25)26)19-8-10-22(9-5-13-30-22)16-20(19)28-11-2-3-12-28/h4,6-7,14,19-20H,2-3,5,8-13,15-16H2,1H3/t19-,20-,22+/m0/s1
SMILES: C[C@H]1C2(O1)C[C@]3(CO3)[C@@](C(=O)OCC4=CCN5[C@H]4[C@@H](CC5)OC2=O)(C)O
InChI: InChI=1S/C18H23NO7/c1-10-18(26-10)8-17(9-24-17)16(2,22)14(20)23-7-11-3-5-19-6-4-12(13(11)19)25-15(18)21/h3,10,12-13,22H,4-9H2,1-2H3/t10-,12+,13+,16-,17-,18?/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)Cl
InChI: InChI=1S/C23H26ClNO4/c1-16-6-2-4-8-20(16)25-22(26)15-29-23(27)19-7-3-5-9-21(19)28-14-17-10-12-18(24)13-11-17/h3,5,7,9-13,16,20H,2,4,6,8,14-15H2,1H3,(H,25,26)/t16-,20-/m0/s1
SMILES: C[C@H]1CC[C@H]2[C@@](C3([C@H](CC4([C@@H]5CCC6[C@]7(C5(CC4([C@@H]3CN2C1)O)O[C@@]6([C@H](CC7)OC(=O)C8=CC(=CC(=C8)OC)OC)O)C)O)O)O)(C)O
InChI: InChI=1S/C36H51NO11/c1-19-6-9-26-31(3,40)35(43)25(17-37(26)16-19)33(42)18-34-24(32(33,41)15-27(35)38)8-7-23-30(34,2)11-10-28(36(23,44)48-34)47-29(39)20-12-21(45-4)14-22(13-20)46-5/h12-14,19,23-28,38,40-44H,6-11,15-18H2,1-5H3/t19-,23?,24-,25-,26-,27-,28-,30-,31+,32?,33?,34?,35?,36-/m0/s1
SMILES: C[C@@H](C(=O)O[C@@H](C)C(=O)NC1=NC=C(C=C1)Cl)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C19H20ClN3O5/c1-10(23-17(25)13-5-3-4-6-14(13)18(23)26)19(27)28-11(2)16(24)22-15-8-7-12(20)9-21-15/h3-4,7-11,13-14H,5-6H2,1-2H3,(H,21,22,24)/t10-,11-,13-,14-/m0/s1
SMILES: CC(=O)O[C@H]1C[C@@H]2C[C@]3([C@@H]1C4(C[C@@H]([C@@H](C([C@H]4C(=O)C3)(C)C)OC(=O)C)OC(=O)C)C)C(C2=C)OC(=O)C
InChI: InChI=1S/C28H38O9/c1-13-18-9-20(34-14(2)29)23-27(8)12-21(35-15(3)30)25(37-17(5)32)26(6,7)22(27)19(33)11-28(23,10-18)24(13)36-16(4)31/h18,20-25H,1,9-12H2,2-8H3/t18-,20+,21+,22-,23+,24?,25+,27?,28+/m1/s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)NCCOC)C2=CN(C3=CC=CC=C32)C(=O)C)CCCO
InChI: InChI=1S/C24H32N2O6/c1-4-31-24-18(9-7-12-27)19(14-22(32-24)23(29)25-11-13-30-3)20-15-26(16(2)28)21-10-6-5-8-17(20)21/h5-6,8,10,14-15,18-19,24,27H,4,7,9,11-13H2,1-3H3,(H,25,29)/t18-,19-,24+/m0/s1
SMILES: C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C5=CC=CC=C5)C(=O)CO)CCC6=CC(=O)C=C[C@@]63C)F)O
InChI: InChI=1S/C29H33FO6/c1-25-12-11-19(32)13-18(25)9-10-20-21-14-24-29(23(34)16-31,26(21,2)15-22(33)28(20,25)30)36-27(3,35-24)17-7-5-4-6-8-17/h4-8,11-13,20-22,24,31,33H,9-10,14-16H2,1-3H3/t20-,21-,22-,24+,25-,26-,27?,28-,29+/m0/s1
SMILES: C1OC2=C(O1)C=C3C(=C2)[C@H]4[C@H]([C@@H]([C@@H]([C@H]([C@@H]4O)O)O)O)NC3=O
InChI: InChI=1S/C14H15NO7/c16-10-8-4-1-6-7(22-3-21-6)2-5(4)14(20)15-9(8)11(17)13(19)12(10)18/h1-2,8-13,16-19H,3H2,(H,15,20)/t8-,9+,10+,11-,12-,13-/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)OCC=C)CN(C)C[C@H](C5=CC(=CC=C5)O)O
InChI: InChI=1S/C39H44N2O7/c1-4-18-46-39(45)40-22-28-8-5-9-30(19-28)31-10-6-12-33(20-31)38-47-36(24-41(3)23-35(44)32-11-7-13-34(43)21-32)26(2)37(48-38)29-16-14-27(25-42)15-17-29/h4-17,19-21,26,35-38,42-44H,1,18,22-25H2,2-3H3,(H,40,45)/t26-,35-,36+,37+,38+/m1/s1
SMILES: CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C(=O)O
InChI: InChI=1S/C25H36O7/c1-5-25(3,4)24(30)32-20-11-16(23(28)29)10-15-7-6-14(2)19(22(15)20)9-8-18-12-17(26)13-21(27)31-18/h6-7,10,14,16-20,22,26H,5,8-9,11-13H2,1-4H3,(H,28,29)/t14-,16-,17+,18+,19-,20-,22-/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)CNC(=O)[C@@H](CC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C)CN6CCC(CC6)N7C8=CC=CC=C8NC7=O
InChI: InChI=1S/C48H53N5O7S/c1-32-12-22-40(23-13-32)61(57,58)51-42(28-34-8-4-3-5-9-34)46(55)49-29-35-14-20-38(21-15-35)47-59-44(33(2)45(60-47)37-18-16-36(31-54)17-19-37)30-52-26-24-39(25-27-52)53-43-11-7-6-10-41(43)50-48(53)56/h3-23,33,39,42,44-45,47,51,54H,24-31H2,1-2H3,(H,49,55)(H,50,56)/t33-,42-,44+,45+,47+/m1/s1
SMILES: COC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35
InChI: InChI=1S/C21H17NO4/c1-26-15(23)10-22-20(24)18-16-11-6-2-3-7-12(11)17(19(18)21(22)25)14-9-5-4-8-13(14)16/h2-9,16-19H,10H2,1H3/t16?,17?,18-,19-/m0/s1
SMILES: C[C@]12CC[C@H](C1(C)C)[C@H](C2=O)/C(=N/NC(=O)N)/CC3=CC=CC=C3
InChI: InChI=1S/C19H25N3O2/c1-18(2)13-9-10-19(18,3)16(23)15(13)14(21-22-17(20)24)11-12-7-5-4-6-8-12/h4-8,13,15H,9-11H2,1-3H3,(H3,20,22,24)/b21-14+/t13-,15-,19+/m0/s1
SMILES: C[C@H](C[C@H]1[C@@H](C[C@]2([C@H](O1)C[C@@H]([C@H](O2)COCC3=CC=C(C=C3)OC)OCC4=CC=C(C=C4)OC)C)O[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C42H70O8Si2/c1-30(26-47-51(11,12)40(2,3)4)23-36-37(50-52(13,14)41(5,6)7)25-42(8)39(48-36)24-35(46-28-32-17-21-34(44-10)22-18-32)38(49-42)29-45-27-31-15-19-33(43-9)20-16-31/h15-22,30,35-39H,23-29H2,1-14H3/t30-,35+,36+,37-,38-,39-,42+/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)NC3=CC=CC=C3S2)NC(=O)CNC(=O)CC4=CC(=CC(=C4)F)F
InChI: InChI=1S/C25H21F2N3O3S/c26-17-10-15(11-18(27)13-17)12-21(31)28-14-22(32)30-23-24(16-6-2-1-3-7-16)34-20-9-5-4-8-19(20)29-25(23)33/h1-11,13,23-24H,12,14H2,(H,28,31)(H,29,33)(H,30,32)/t23-,24+/m0/s1
SMILES: CCC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)C5=COC(=C54)C3=O)COC)C)C
InChI: InChI=1S/C24H28O8/c1-5-16(26)31-13-8-23(2)12(6-7-14(23)25)17-19(13)24(3)15(10-29-4)32-22(28)11-9-30-21(18(11)24)20(17)27/h9,12-15,25H,5-8,10H2,1-4H3/t12-,13+,14-,15+,23-,24-/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=NON=C3NC(=O)C4=CC=CC=C4Cl
InChI: InChI=1S/C17H15ClN4O4/c18-12-8-4-3-7-11(12)15(23)19-13-14(21-26-20-13)22-16(24)9-5-1-2-6-10(9)17(22)25/h3-4,7-10H,1-2,5-6H2,(H,19,20,23)/t9-,10+
SMILES: C1CC2=C([C@@H]3[C@@H]4CC=CC[C@H]4C(=O)N3C1)NC5=CC=CC=C25
InChI: InChI=1S/C19H20N2O/c22-19-15-8-2-1-7-14(15)18-17-13(9-5-11-21(18)19)12-6-3-4-10-16(12)20-17/h1-4,6,10,14-15,18,20H,5,7-9,11H2/t14-,15-,18+/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?/m0/s1
SMILES: CC1=NSC2=C1N=C(N2[C@H]3C[C@@H]([C@H](O3)CO)O)SCC4=CC=CC=C4
InChI: InChI=1S/C17H19N3O3S2/c1-10-15-16(25-19-10)20(14-7-12(22)13(8-21)23-14)17(18-15)24-9-11-5-3-2-4-6-11/h2-6,12-14,21-22H,7-9H2,1H3/t12-,13+,14+/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)CCC[NH+]2CN3C(=O)C4=CC=CC=C4C3=O
InChI: InChI=1S/C18H22N2O2/c21-17-14-8-2-3-9-15(14)18(22)20(17)12-19-11-5-7-13-6-1-4-10-16(13)19/h2-3,8-9,13,16H,1,4-7,10-12H2/p+1/t13-,16-/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@]([C@H]1OCC2=CC=CC=C2)(C)OC)[C@@H](C)CO
InChI: InChI=1S/C17H26O4/c1-12(10-18)15-13(2)16(17(3,19-4)21-15)20-11-14-8-6-5-7-9-14/h5-9,12-13,15-16,18H,10-11H2,1-4H3/t12-,13+,15-,16-,17+/m0/s1
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C20H24N2O5/c1-13(14-7-3-2-4-8-14)21-17(23)12-27-18(24)11-22-19(25)15-9-5-6-10-16(15)20(22)26/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3,(H,21,23)/t13-,15-,16-/m0/s1
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)[C@@H]2[C@H]3C[C@@](N(C2=O)C)(OC4=C3C=CC(=C4)OC)C)C
InChI: InChI=1S/C22H25NO5S/c1-13-6-8-16(10-14(13)2)29(25,26)20-18-12-22(3,23(4)21(20)24)28-19-11-15(27-5)7-9-17(18)19/h6-11,18,20H,12H2,1-5H3/t18-,20+,22-/m0/s1
SMILES: CCC1=C2C=C3C(=C4C(=O)[C@@H](C(=C5[C@H]([C@@H](C(=CC6=NC(=CC(=N2)C1=CO)C(=C6C)C=C)N5)C)CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C4=N3)C(=O)OC)C
InChI: InChI=1S/C55H72N4O6/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42/h12,25,27-33,36,40,51,58,60H,1,13-24,26H2,2-11H3/t32-,33-,36+,40+,51-/m1/s1
SMILES: C1=C[C@]2([C@H]3C=C([S@@](=O)[C@H]3[C@@H]1S2=O)Cl)Cl
InChI: InChI=1S/C8H6Cl2O2S2/c9-6-3-4-7(13(6)11)5-1-2-8(4,10)14(5)12/h1-5,7H/t4-,5+,7+,8-,13+,14?/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1OC(=O)C)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)COCCNC(=O)C5=C(C(=CC(=C5)[N+](=O)[O-])O)O
InChI: InChI=1S/C30H29N7O12/c1-15(38)47-24-21(12-46-9-8-31-29(43)19-10-18(37(44)45)11-20(40)23(19)41)49-30(25(24)48-16(2)39)36-14-34-22-26(32-13-33-27(22)36)35-28(42)17-6-4-3-5-7-17/h3-7,10-11,13-14,21,24-25,30,40-41H,8-9,12H2,1-2H3,(H,31,43)(H,32,33,35,42)/t21-,24-,25-,30-/m1/s1
SMILES: CCC#CC[C@H](C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C(/C(=C\CCCC(=O)OCC)/O2)(F)F)O)O
InChI: InChI=1S/C24H34F2O5/c1-4-6-7-10-16(3)18(27)14-13-17-19(28)15-20-23(17)24(25,26)21(31-20)11-8-9-12-22(29)30-5-2/h11,13-14,16-20,23,27-28H,4-5,8-10,12,15H2,1-3H3/b14-13+,21-11+/t16-,17-,18+,19+,20-,23+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)CNC(=O)C2=CC(=CC(=C2)OC)OC
InChI: InChI=1S/C21H30N2O6/c1-13-7-5-6-8-18(13)23-20(25)14(2)29-19(24)12-22-21(26)15-9-16(27-3)11-17(10-15)28-4/h9-11,13-14,18H,5-8,12H2,1-4H3,(H,22,26)(H,23,25)/t13-,14+,18+/m0/s1
SMILES: CCC(=O)N1[C@@H]([C@@H]2CCO[C@H]2C3=CC=CC=C31)C4=CC=CO4
InChI: InChI=1S/C18H19NO3/c1-2-16(20)19-14-7-4-3-6-12(14)18-13(9-11-22-18)17(19)15-8-5-10-21-15/h3-8,10,13,17-18H,2,9,11H2,1H3/t13-,17-,18-/m0/s1
SMILES: C[C@@H]1CC(=O)[C@@H]([C@@H]1C[N+](=O)[O-])CC(=O)O[C@H](C)C(=O)NC2=CC(=C(C=C2)C)F
InChI: InChI=1S/C19H23FN2O6/c1-10-4-5-13(7-16(10)20)21-19(25)12(3)28-18(24)8-14-15(9-22(26)27)11(2)6-17(14)23/h4-5,7,11-12,14-15H,6,8-9H2,1-3H3,(H,21,25)/t11-,12-,14-,15-/m1/s1
SMILES: C[C@@H]1C[C@]2([C@]3(C(=CC(=O)[C@H](C3(C)C)O2)C)O)O[C@@H]1OC(=O)C
InChI: InChI=1S/C16H22O6/c1-8-7-15(22-13(8)20-10(3)17)16(19)9(2)6-11(18)12(21-15)14(16,4)5/h6,8,12-13,19H,7H2,1-5H3/t8-,12-,13+,15-,16-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)C[NH2+][C@@H](C2=CC=CC=C2)C3=CC=C(C=C3)OC(F)F
InChI: InChI=1S/C23H28F2N2O2/c1-16-7-5-6-10-20(16)27-21(28)15-26-22(17-8-3-2-4-9-17)18-11-13-19(14-12-18)29-23(24)25/h2-4,8-9,11-14,16,20,22-23,26H,5-7,10,15H2,1H3,(H,27,28)/p+1/t16-,20+,22-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3O2
InChI: InChI=1S/C19H22N2O4/c1-13-6-2-3-7-14(13)20-17(22)12-24-19(23)11-10-18-21-15-8-4-5-9-16(15)25-18/h4-5,8-11,13-14H,2-3,6-7,12H2,1H3,(H,20,22)/b11-10+/t13-,14-/m1/s1
SMILES: CC(=O)O[C@@H]1C[C@H](O[C@@H]2[C@@H]1O[C@H]([C@@H]2O[Si](C)(C)C(C)(C)C)N3C=CC(=O)NC3=O)/C=C/C4=CC=CC=C4
InChI: InChI=1S/C27H36N2O7Si/c1-17(30)33-20-16-19(13-12-18-10-8-7-9-11-18)34-23-22(20)35-25(29-15-14-21(31)28-26(29)32)24(23)36-37(5,6)27(2,3)4/h7-15,19-20,22-25H,16H2,1-6H3,(H,28,31,32)/b13-12+/t19-,20-,22-,23-,24-,25-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N/N=C/[C@H]2[C@@H]([C@H]3[C@@H](O2)OC(O3)(C)C)OC
InChI: InChI=1S/C16H22N2O6S/c1-10-5-7-11(8-6-10)25(19,20)18-17-9-12-13(21-4)14-15(22-12)24-16(2,3)23-14/h5-9,12-15,18H,1-4H3/b17-9+/t12-,13-,14-,15-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C6=C(C=CC(=C6)OC(F)(F)F)O)C(=O)NC5=O)C(=O)N(C3=O)NC7=C(C=C(C=C7)Cl)Cl
InChI: InChI=1S/C34H26Cl2F3N3O7/c1-48-17-5-2-15(3-6-17)33-23(31(46)42(32(33)47)41-25-10-4-16(35)12-24(25)36)14-21-19(8-9-20-27(21)30(45)40-29(20)44)28(33)22-13-18(7-11-26(22)43)49-34(37,38)39/h2-8,10-13,20-21,23,27-28,41,43H,9,14H2,1H3,(H,40,44,45)/t20-,21+,23-,27-,28+,33+/m0/s1
SMILES: C[C@@H]1CC(=O)C2=C1[C@H]([C@]3(CC[C@@]2(OO3)C)C(C)C)O
InChI: InChI=1S/C15H22O4/c1-8(2)15-6-5-14(4,18-19-15)12-10(16)7-9(3)11(12)13(15)17/h8-9,13,17H,5-7H2,1-4H3/t9-,13-,14+,15+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C[C@@H]([C@H]4[C@@]3(CC/C(=N\OCCN)/C4)C)O
InChI: InChI=1S/C21H36N2O3/c1-20-7-5-13(23-26-10-9-22)11-17(20)18(24)12-14-15-3-4-19(25)21(15,2)8-6-16(14)20/h14-19,24-25H,3-12,22H2,1-2H3/b23-13+/t14-,15-,16-,17-,18-,19-,20+,21-/m0/s1
SMILES: COC1=C(C=CC(=C1)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC5=C(C=C4)OCO5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
InChI: InChI=1S/C26H30O11/c1-31-18-6-12(3-5-17(18)36-26-23(30)22(29)21(28)20(8-27)37-26)24-14-9-33-25(15(14)10-32-24)13-2-4-16-19(7-13)35-11-34-16/h2-7,14-15,20-30H,8-11H2,1H3/t14-,15-,20+,21+,22-,23+,24+,25+,26+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@H]3CCCC[C@]3(CCN2C(=O)/C=C/C4=CC5=C(C=C4)OCO5)O
InChI: InChI=1S/C26H29NO5/c1-30-20-9-7-19(8-10-20)25-21-4-2-3-13-26(21,29)14-15-27(25)24(28)12-6-18-5-11-22-23(16-18)32-17-31-22/h5-12,16,21,25,29H,2-4,13-15,17H2,1H3/b12-6+/t21-,25+,26-/m1/s1
SMILES: COC1=CC2=C(C[C@@H]3[C@H]4[C@@]2(CCCC4)CCN3CC5=CN=CC=C5)C=C1.Br
InChI: InChI=1S/C23H28N2O.BrH/c1-26-19-8-7-18-13-22-20-6-2-3-9-23(20,21(18)14-19)10-12-25(22)16-17-5-4-11-24-15-17;/h4-5,7-8,11,14-15,20,22H,2-3,6,9-10,12-13,16H2,1H3;1H/t20-,22+,23+;/m0./s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]([C@@H]2C(=O)NC3=CC=C(C=C3)I)C(=O)O
InChI: InChI=1S/C15H14INO3/c16-10-3-5-11(6-4-10)17-14(18)12-8-1-2-9(7-8)13(12)15(19)20/h1-6,8-9,12-13H,7H2,(H,17,18)(H,19,20)/t8-,9+,12+,13-/m0/s1
SMILES: C[C@@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CC[C@@H]4C(=O)C[C@@H](C(F)(F)F)O)C)O
InChI: InChI=1S/C23H35F3O3/c1-21-9-7-14(27)11-13(21)3-4-15-16-5-6-18(22(16,2)10-8-17(15)21)19(28)12-20(29)23(24,25)26/h13-18,20,27,29H,3-12H2,1-2H3/t13-,14-,15-,16+,17-,18+,20-,21+,22+/m0/s1
SMILES: CCC1CCC(CC1)NC(=O)[C@H]2C[C@@H]2CN3CCN(CC3)C4=C(C=C(C=C4)C)C
InChI: InChI=1S/C25H39N3O/c1-4-20-6-8-22(9-7-20)26-25(29)23-16-21(23)17-27-11-13-28(14-12-27)24-10-5-18(2)15-19(24)3/h5,10,15,20-23H,4,6-9,11-14,16-17H2,1-3H3,(H,26,29)/t20?,21-,22?,23+/m1/s1