EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCOC(=O)C([C@@H]1C[C@H]2C3=CC=CC=C3C[C@]2(C=C1)C(=O)OC)C(=O)OCC
InChI: InChI=1S/C22H26O6/c1-4-27-19(23)18(20(24)28-5-2)14-10-11-22(21(25)26-3)13-15-8-6-7-9-16(15)17(22)12-14/h6-11,14,17-18H,4-5,12-13H2,1-3H3/t14-,17-,22-/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)OCC(=O)C4=CC=C(C=C4)Br
InChI: InChI=1S/C22H20BrNO4/c23-15-7-5-14(6-8-15)20(25)13-28-17-11-9-16(10-12-17)24-21(26)18-3-1-2-4-19(18)22(24)27/h5-12,18-19H,1-4,13H2/t18-,19+
SMILES: CC(=O)O[C@H]1C(=O)[C@H]2C=C[C@@]1([C@H]3[C@@H]2[C@H](C=C[C@H]3OC)OC)Br
InChI: InChI=1S/C16H19BrO5/c1-8(18)22-15-14(19)9-6-7-16(15,17)13-11(21-3)5-4-10(20-2)12(9)13/h4-7,9-13,15H,1-3H3/t9-,10-,11+,12-,13+,15-,16-/m0/s1
SMILES: CC1(O[C@H]2CCN([C@@H]([C@H]2O1)C[C@@H](C=O)O[Si](C)(C)C(C)(C)C)C(=O)OCC3=CC=CC=C3)C
InChI: InChI=1S/C25H39NO6Si/c1-24(2,3)33(6,7)32-19(16-27)15-20-22-21(30-25(4,5)31-22)13-14-26(20)23(28)29-17-18-11-9-8-10-12-18/h8-12,16,19-22H,13-15,17H2,1-7H3/t19-,20+,21-,22+/m0/s1
SMILES: CCCCCC(=O)NC1=NC2=C(S1)C[C@H]3[C@]([C@@H]2CC(=O)NC(C)C)(CC[C@H]([C@@]3(C)CO)O)C
InChI: InChI=1S/C25H41N3O4S/c1-6-7-8-9-20(31)27-23-28-22-16(12-21(32)26-15(2)3)24(4)11-10-19(30)25(5,14-29)18(24)13-17(22)33-23/h15-16,18-19,29-30H,6-14H2,1-5H3,(H,26,32)(H,27,28,31)/t16-,18+,19-,24+,25+/m1/s1
SMILES: CC(=CCC/C(=C/CC/C(=C/[C@H]1[C@](C1(C(=O)OC)C(=O)OC)(C)CC/C=C(\C)/CCC=C(C)C)/C)/C)C
InChI: InChI=1S/C33H52O4/c1-24(2)15-11-17-26(5)19-13-20-28(7)23-29-32(8,33(29,30(34)36-9)31(35)37-10)22-14-21-27(6)18-12-16-25(3)4/h15-16,19,21,23,29H,11-14,17-18,20,22H2,1-10H3/b26-19+,27-21+,28-23+/t29-,32-/m0/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C(=O)O)(CC[C@@H]5[C@@]4([C@H]([C@@H](C5(C)C)O)C(=O)O)C)C)C(=O)O
InChI: InChI=1S/C30H44O7/c1-15(2)16-9-12-29(24(34)35)13-14-30(25(36)37)17(20(16)29)7-8-19-27(30,5)11-10-18-26(3,4)22(31)21(23(32)33)28(18,19)6/h16-22,31H,1,7-14H2,2-6H3,(H,32,33)(H,34,35)(H,36,37)/t16-,17+,18-,19-,20+,21+,22-,27+,28-,29-,30+/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)OCC2=CC=CC=C2
InChI: InChI=1S/C15H21NO7/c1-21-14-11(13(19)12(18)10(7-17)23-14)16-15(20)22-8-9-5-3-2-4-6-9/h2-6,10-14,17-19H,7-8H2,1H3,(H,16,20)/t10-,11-,12-,13-,14+/m1/s1
SMILES: CC1=CC=CC=C1[C@@H](C)N2[C@H]3CCCC[C@H]3C[C@H]2C(=O)O
InChI: InChI=1S/C18H25NO2/c1-12-7-3-5-9-15(12)13(2)19-16-10-6-4-8-14(16)11-17(19)18(20)21/h3,5,7,9,13-14,16-17H,4,6,8,10-11H2,1-2H3,(H,20,21)/t13-,14+,16+,17+/m1/s1
SMILES: CC1=CC([C@H]2CC(=C3C[C@@H]([C@@H]([C@H]3[C@]2([C@@]1(CC=C)O)C)C(=C)C)OC)O[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C28H46O4Si/c1-12-13-28(30)18(4)14-21(29)20-16-22(32-33(10,11)26(5,6)7)19-15-23(31-9)24(17(2)3)25(19)27(20,28)8/h12,14,20-21,23-25,29-30H,1-2,13,15-16H2,3-11H3/t20-,21?,23+,24+,25+,27+,28+/m1/s1
SMILES: CC1=C(C=CC=C1Cl)N2C(=O)[C@@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)CC(C)C
InChI: InChI=1S/C22H23ClN2O3/c1-13(2)12-18-19-20(28-25(18)15-8-5-4-6-9-15)22(27)24(21(19)26)17-11-7-10-16(23)14(17)3/h4-11,13,18-20H,12H2,1-3H3/t18-,19+,20-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)OC2=CC=CC(=C2)C#N
InChI: InChI=1S/C18H24N2O2/c1-12-6-4-9-17(13(12)2)20-18(21)14(3)22-16-8-5-7-15(10-16)11-19/h5,7-8,10,12-14,17H,4,6,9H2,1-3H3,(H,20,21)/t12-,13+,14+,17+/m0/s1
SMILES: C[C@]12CCCC([C@]13[C@@H](O3)C[C@]([C@@H]2C(=O)O)(C)O)(C)C
InChI: InChI=1S/C15H24O4/c1-12(2)6-5-7-13(3)10(11(16)17)14(4,18)8-9-15(12,13)19-9/h9-10,18H,5-8H2,1-4H3,(H,16,17)/t9-,10+,13+,14-,15+/m0/s1
SMILES: CC(C)C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)N3CC[C@@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C21H29N5O/c1-15(2)16-7-9-18(10-8-16)21-22-24-26(23-21)14-20(27)25-12-11-17-5-3-4-6-19(17)13-25/h7-10,15,17,19H,3-6,11-14H2,1-2H3/t17-,19+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@H]3CCC4=CC=CC=C4C3=NN2C(=O)C5=CC=CS5
InChI: InChI=1S/C23H20N2O2S/c1-27-17-11-8-16(9-12-17)22-19-13-10-15-5-2-3-6-18(15)21(19)24-25(22)23(26)20-7-4-14-28-20/h2-9,11-12,14,19,22H,10,13H2,1H3/t19-,22-/m0/s1
SMILES: COC1=CC=C(C=C1)N2[C@H]([C@H](C2=O)OCC3=CC=CC=C3)[C@@H](C4=CC=CC=C4)O
InChI: InChI=1S/C24H23NO4/c1-28-20-14-12-19(13-15-20)25-21(22(26)18-10-6-3-7-11-18)23(24(25)27)29-16-17-8-4-2-5-9-17/h2-15,21-23,26H,16H2,1H3/t21-,22+,23+/m0/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC5=CC=CC=C5C=C4
InChI: InChI=1S/C24H19NO3/c26-23-21-7-3-4-8-22(21)24(27)25(23)18-10-13-19(14-11-18)28-20-12-9-16-5-1-2-6-17(16)15-20/h1-6,9-15,21-22H,7-8H2/t21-,22+
SMILES: CCOC1=N[C@]2([C@](C[C@]2(C1=O)C(=O)OCC)(C)OC(=O)C)C3=CC=CC=C3
InChI: InChI=1S/C20H23NO6/c1-5-25-16-15(23)19(17(24)26-6-2)12-18(4,27-13(3)22)20(19,21-16)14-10-8-7-9-11-14/h7-11H,5-6,12H2,1-4H3/t18-,19+,20+/m1/s1
SMILES: C1CC[C@@H]([C@@H](C1)CNC(=O)C2=CC(=C(N=C2)OCC3=NC=CC=N3)C4=CC=C(C=C4)Cl)O
InChI: InChI=1S/C24H25ClN4O3/c25-19-8-6-16(7-9-19)20-12-18(23(31)28-13-17-4-1-2-5-21(17)30)14-29-24(20)32-15-22-26-10-3-11-27-22/h3,6-12,14,17,21,30H,1-2,4-5,13,15H2,(H,28,31)/t17-,21-/m0/s1
SMILES: C[C@@H]1C[C@H]([C@@H](C(=C)C1)CC2=CC(=C(C=C2O)Br)OC)C
InChI: InChI=1S/C17H23BrO2/c1-10-5-11(2)14(12(3)6-10)7-13-8-17(20-4)15(18)9-16(13)19/h8-10,12,14,19H,2,5-7H2,1,3-4H3/t10-,12+,14+/m0/s1
SMILES: CC(C)C(=O)O[C@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C(C)C)OC(=O)C(C)C)OC(=N)C(Cl)(Cl)Cl
InChI: InChI=1S/C19H28Cl3NO8/c1-8(2)14(24)28-11-7-27-17(31-18(23)19(20,21)22)13(30-16(26)10(5)6)12(11)29-15(25)9(3)4/h8-13,17,23H,7H2,1-6H3/t11-,12-,13+,17-/m0/s1
SMILES: CCCCCCCCCCCC(=O)N(CCC1=C(C=CC(=C1)OC)OC)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)C=O)OC)C(=O)NCCO
InChI: InChI=1S/C39H55IN2O9/c1-5-6-7-8-9-10-11-12-13-14-36(45)42(19-17-28-23-30(48-2)15-16-33(28)49-3)32-24-29(39(47)41-18-20-43)25-34(37(32)46)51-38-31(40)21-27(26-44)22-35(38)50-4/h15-16,21-23,25-26,32,34,37,43,46H,5-14,17-20,24H2,1-4H3,(H,41,47)/t32-,34+,37+/m1/s1
SMILES: C[C@@H]1C[C@@H]1C(=O)OCC(=O)NC[C@@H](C2=CC=C(C=C2)OC)C3=CNC4=CC=CC=C43
InChI: InChI=1S/C24H26N2O4/c1-15-11-19(15)24(28)30-14-23(27)26-12-20(16-7-9-17(29-2)10-8-16)21-13-25-22-6-4-3-5-18(21)22/h3-10,13,15,19-20,25H,11-12,14H2,1-2H3,(H,26,27)/t15-,19+,20+/m1/s1
SMILES: C1CCN2CCC[C@H]([C@H]2C1)CO[C@@H](C(Cl)(Cl)Cl)NC(=O)C3=CC=CC=C3
InChI: InChI=1S/C19H25Cl3N2O2/c20-19(21,22)18(23-17(25)14-7-2-1-3-8-14)26-13-15-9-6-12-24-11-5-4-10-16(15)24/h1-3,7-8,15-16,18H,4-6,9-13H2,(H,23,25)/t15-,16+,18-/m0/s1
SMILES: C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](S3)CO)O)O)Cl)N
InChI: InChI=1S/C10H12ClN5O3S/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
SMILES: C1=CC=C(C=C1)S(=O)(=O)N[C@H]2[C@@H](C3=CC=CC4=C3C2=CC=C4)SC5=NN=C(S5)N
InChI: InChI=1S/C20H16N4O2S3/c21-19-22-23-20(28-19)27-18-15-11-5-7-12-6-4-10-14(16(12)15)17(18)24-29(25,26)13-8-2-1-3-9-13/h1-11,17-18,24H,(H2,21,22)/t17-,18-/m1/s1
SMILES: C1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CC(=O)N[C@H](C(=O)N1)CCCN=C(N)N)C[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC=CC=C3)CC(=O)O
InChI: InChI=1S/C30H44N8O12/c31-30(32)33-8-4-7-16-27(47)34-11-21(40)36-17(10-23(42)43)28(48)37-18(9-15-5-2-1-3-6-15)29(49)38(13-22(41)35-16)12-19-24(44)26(46)25(45)20(14-39)50-19/h1-3,5-6,16-20,24-26,39,44-46H,4,7-14H2,(H,34,47)(H,35,41)(H,36,40)(H,37,48)(H,42,43)(H4,31,32,33)/t16-,17-,18+,19-,20+,24-,25+,26+/m0/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@@H]4C(=CCN5N4C(=O)N(C5=O)CCC6=NC7=CC(=C(C=C7N(C6=O)C)OC)OC)[C@@H]([C@@]3(C2=O)C8=CC=CC=C8)C9=CC(=C(C=C9)O)F
InChI: InChI=1S/C44H40FN7O8/c1-24-10-13-27(14-11-24)47-51-39(54)29-21-33-28(38(25-12-15-35(53)30(45)20-25)44(29,41(51)56)26-8-6-5-7-9-26)16-19-50-42(57)49(43(58)52(33)50)18-17-31-40(55)48(2)34-23-37(60-4)36(59-3)22-32(34)46-31/h5-16,20,22-23,29,33,38,47,53H,17-19,21H2,1-4H3/t29-,33+,38-,44+/m0/s1
SMILES: COC(=O)[C@@]1(CN(N2[C@@H]1C3=CC=CC=C3C=C2)C4=CC=CC=N4)Cl
InChI: InChI=1S/C18H16ClN3O2/c1-24-17(23)18(19)12-22(15-8-4-5-10-20-15)21-11-9-13-6-2-3-7-14(13)16(18)21/h2-11,16H,12H2,1H3/t16-,18+/m1/s1
SMILES: C1CN(CCN1C[C@@H]2C[C@H]3C[C@@H]2C=C3)CC4=CC=C(C=C4)Br
InChI: InChI=1S/C19H25BrN2/c20-19-5-2-15(3-6-19)13-21-7-9-22(10-8-21)14-18-12-16-1-4-17(18)11-16/h1-6,16-18H,7-14H2/t16-,17+,18+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](C[C@H](O1)N2C=NC3=C(N=C(N=C32)F)N)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C22H40FN5O3Si2/c1-21(2,3)32(7,8)29-12-15-14(31-33(9,10)22(4,5)6)11-16(30-15)28-13-25-17-18(24)26-20(23)27-19(17)28/h13-16H,11-12H2,1-10H3,(H2,24,26,27)/t14-,15+,16-/m0/s1
SMILES: C=CCOCC#CCO[C@H]1[C@@H]2C[C@H]([C@H]1OCC#CCOCC=C)C=C2
InChI: InChI=1S/C21H26O4/c1-3-11-22-13-5-7-15-24-20-18-9-10-19(17-18)21(20)25-16-8-6-14-23-12-4-2/h3-4,9-10,18-21H,1-2,11-17H2/t18-,19+,20-,21+
SMILES: C1CC1C(=O)[C@H]2[C@H](C([C@H]3N2C4=CC=CC=C4C=C3)(C#N)C#N)C5=CC=CO5
InChI: InChI=1S/C22H17N3O2/c23-12-22(13-24)18-10-9-14-4-1-2-5-16(14)25(18)20(21(26)15-7-8-15)19(22)17-6-3-11-27-17/h1-6,9-11,15,18-20H,7-8H2/t18-,19+,20+/m0/s1
SMILES: CC1=CC(=C(C=C1C)C(=O)COC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C
InChI: InChI=1S/C22H25NO5/c1-13-10-15(3)18(11-14(13)2)19(24)12-28-20(25)8-9-23-21(26)16-6-4-5-7-17(16)22(23)27/h4-5,10-11,16-17H,6-9,12H2,1-3H3/t16-,17+
SMILES: CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)C3=CC=C(C=C3)OC)O[C@@H]1OCC4=CC=CC=C4)O
InChI: InChI=1S/C49H77NO9/c1-4-6-8-10-12-14-15-17-19-21-26-30-44(52)57-41(29-25-20-18-16-13-11-9-7-5-2)35-43(51)50-45-46(53)47-42(58-49(45)55-36-38-27-23-22-24-28-38)37-56-48(59-47)39-31-33-40(54-3)34-32-39/h22-24,27-28,31-34,41-42,45-49,53H,4-21,25-26,29-30,35-37H2,1-3H3,(H,50,51)/t41-,42-,45-,46-,47+,48?,49+/m1/s1
SMILES: C1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)ON=C3C4=CC(=CC=C4)[N+](=O)[O-]
InChI: InChI=1S/C17H11N3O5/c21-16-13-14(10-5-4-8-12(9-10)20(23)24)18-25-15(13)17(22)19(16)11-6-2-1-3-7-11/h1-9,13,15H/t13-,15+/m0/s1
SMILES: COC(=O)C1=C(SC(=C2S[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3S2=O)S1)C(=O)OC
InChI: InChI=1S/C15H16O5S4/c1-19-12(16)9-10(13(17)20-2)22-14(21-9)15-23-8-6-3-4-7(5-6)11(8)24(15)18/h6-8,11H,3-5H2,1-2H3/t6-,7+,8+,11-,24?/m1/s1
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)C[C@H]2C(=O)N[C@@H]3CCCC[C@H]3N2
InChI: InChI=1S/C18H23N3O3/c1-11(22)12-6-8-13(9-7-12)19-17(23)10-16-18(24)21-15-5-3-2-4-14(15)20-16/h6-9,14-16,20H,2-5,10H2,1H3,(H,19,23)(H,21,24)/t14-,15-,16+/m1/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](C[C@@H]([C@H]2O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N)N)O)O)O)O
InChI: InChI=1S/C18H36N4O10/c1-4-9(23)13(27)14(28)18(29-4)32-16-10(24)5(20)2-6(21)15(16)31-17-8(22)12(26)11(25)7(3-19)30-17/h4-18,23-28H,2-3,19-22H2,1H3/t4-,5-,6+,7-,8-,9-,10+,11-,12-,13+,14-,15-,16-,17-,18+/m1/s1
SMILES: CCC1=CC=C(C=C1)CN2[C@@H]3[C@H](C(=O)N(C3=O)C4=CC=C(C=C4)F)N=N2
InChI: InChI=1S/C19H17FN4O2/c1-2-12-3-5-13(6-4-12)11-23-17-16(21-22-23)18(25)24(19(17)26)15-9-7-14(20)8-10-15/h3-10,16-17H,2,11H2,1H3/t16-,17-/m1/s1
SMILES: CCCCCCCCCCCCO[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1OCCCCCCCCCCCC)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC)OP(=O)(O)O)OCC[C@@H](CCCCCCC)OC)NC(=O)CCCCCCC/C=C/CCCCCCCC)CCOP(=O)(O)O
InChI: InChI=1S/C68H133NO18P2/c1-7-11-15-19-22-25-28-29-30-31-32-33-36-40-44-48-61(70)69-62-66(82-53-49-57(79-6)47-43-39-18-14-10-4)65(87-89(75,76)77)60(55-78-5)86-68(62)83-56-59-63(71)67(81-52-46-42-38-35-27-24-21-17-13-9-3)64(58(85-59)50-54-84-88(72,73)74)80-51-45-41-37-34-26-23-20-16-12-8-2/h29-30,57-60,62-68,71H,7-28,31-56H2,1-6H3,(H,69,70)(H2,72,73,74)(H2,75,76,77)/b30-29+/t57-,58-,59-,60-,62-,63-,64+,65-,66-,67+,68-/m1/s1
SMILES: CC1([C@@H]2CC[C@@]13[C@@H](C2)N(N(C3=O)C4=CC=CC=C4)C(=O)C=O)C
InChI: InChI=1S/C18H20N2O3/c1-17(2)12-8-9-18(17)14(10-12)20(15(22)11-21)19(16(18)23)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3/t12-,14-,18+/m1/s1
SMILES: CC[C@@H]1[C@@](/C=C(/C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)OC(=O)C3=CC=CC=C3)(C)OC)C)\C)(C)OC(=O)N4C=CN=C4
InChI: InChI=1S/C41H57N3O11/c1-12-31-40(7,55-39(49)44-19-18-42-23-44)21-24(2)32(45)25(3)22-41(8,50-11)35(27(5)33(46)28(6)36(47)52-31)54-38-34(30(43(9)10)20-26(4)51-38)53-37(48)29-16-14-13-15-17-29/h13-19,21,23,25-28,30-31,34-35,38H,12,20,22H2,1-11H3/b24-21+/t25-,26-,27+,28-,30+,31-,34-,35-,38+,40+,41-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)OC(=O)C)[Se]C2=CC=CC=C2)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)O[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C
InChI: InChI=1S/C46H54O5SeSi2/c1-34-41(50-53(45(3,4)5,37-26-16-10-17-27-37)38-28-18-11-19-29-38)42(43(44(48-34)49-35(2)47)52-36-24-14-9-15-25-36)51-54(46(6,7)8,39-30-20-12-21-31-39)40-32-22-13-23-33-40/h9-34,41-44H,1-8H3/t34-,41-,42+,43-,44+/m0/s1
SMILES: CCOC1=C(C=CC(=C1)OC)C2=N[C@@H]([C@@H](N2C(=O)N3CCNCC3)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)Br
InChI: InChI=1S/C29H30Br2N4O3/c1-3-38-25-18-23(37-2)12-13-24(25)28-33-26(19-4-8-21(30)9-5-19)27(20-6-10-22(31)11-7-20)35(28)29(36)34-16-14-32-15-17-34/h4-13,18,26-27,32H,3,14-17H2,1-2H3/t26-,27+/m1/s1
SMILES: C[C@H]([C@@H]1[C@H](N(C1=O)C(=O)C(=O)OC)[C@H]2CCC[C@@H](C2=O)OC)OC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C23H26N2O11/c1-12(36-23(30)35-11-13-7-9-14(10-8-13)25(31)32)17-18(15-5-4-6-16(33-2)19(15)26)24(20(17)27)21(28)22(29)34-3/h7-10,12,15-18H,4-6,11H2,1-3H3/t12-,15-,16+,17-,18-/m1/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)NC3=C(C=CC(=C3)C)OC
InChI: InChI=1S/C21H27N3O6/c1-13-7-8-16(29-3)15(10-13)22-17(25)12-30-18(26)11-24-19(27)21(23-20(24)28)9-5-4-6-14(21)2/h7-8,10,14H,4-6,9,11-12H2,1-3H3,(H,22,25)(H,23,28)/t14-,21+/m1/s1
SMILES: CC[C@@]12CCCN3[C@@H]1N4C5=CC=CC=C5C(=C4[C@@](C2)(O3)C(=O)OC)CC=O
InChI: InChI=1S/C21H24N2O4/c1-3-20-10-6-11-22-18(20)23-16-8-5-4-7-14(16)15(9-12-24)17(23)21(13-20,27-22)19(25)26-2/h4-5,7-8,12,18H,3,6,9-11,13H2,1-2H3/t18-,20+,21-/m1/s1
SMILES: CN1C(=O)C(C(=O)N(C1=O)C)([C@@H]2CC[C@@H]3OC[C@H]2O3)[C@@H]4CC[C@@H]5OC[C@H]4O5
InChI: InChI=1S/C18H24N2O7/c1-19-15(21)18(16(22)20(2)17(19)23,9-3-5-13-24-7-11(9)26-13)10-4-6-14-25-8-12(10)27-14/h9-14H,3-8H2,1-2H3/t9-,10-,11-,12-,13-,14-/m1/s1
SMILES: CN(CC1=CC=CC=C1)CC2=CN(N=N2)C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)NC5=NC=CS5
InChI: InChI=1S/C23H29N7OS/c1-28(12-17-5-3-2-4-6-17)13-19-14-30(27-26-19)15-20-11-18-7-9-29(20)16-21(18)22(31)25-23-24-8-10-32-23/h2-6,8,10,14,18,20-21H,7,9,11-13,15-16H2,1H3,(H,24,25,31)/t18-,20+,21-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34
InChI: InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18+,19-,20-/m0/s1
SMILES: C1CN(C[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4)C(=O)OCC5=CC=CC=C5
InChI: InChI=1S/C27H26FNO5/c28-22-8-6-20(7-9-22)24-12-13-29(27(30)32-16-19-4-2-1-3-5-19)15-21(24)17-31-23-10-11-25-26(14-23)34-18-33-25/h1-11,14,21,24H,12-13,15-18H2/t21-,24-/m0/s1
SMILES: CCOC(=O)[C@H](C1=CC=CC=C1)NC(=O)C2=CC=CC(=C2)C(=O)C3[C@@H]([C@H]3C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C33H29NO4/c1-2-38-33(37)30(24-17-10-5-11-18-24)34-32(36)26-20-12-19-25(21-26)31(35)29-27(22-13-6-3-7-14-22)28(29)23-15-8-4-9-16-23/h3-21,27-30H,2H2,1H3,(H,34,36)/t27-,28-,30+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@H]([C@H]2C=C[C@@]1(C(=O)O2)C(=O)OC)CCCCF
InChI: InChI=1S/C19H31FO5Si/c1-18(2,3)26(5,6)25-15-13(9-7-8-12-20)14-10-11-19(15,16(21)23-4)17(22)24-14/h10-11,13-15H,7-9,12H2,1-6H3/t13-,14+,15-,19-/m0/s1
SMILES: CC(=NCC1=CC2=C(C=C1)NC3=C2C[C@]4([C@H]5CC6=C7[C@]4([C@H]3OC7=C(C=C6)O)CCN5CC8CC8)O)N
InChI: InChI=1S/C29H32N4O3/c1-15(30)31-13-17-4-6-21-19(10-17)20-12-29(35)23-11-18-5-7-22(34)26-24(18)28(29,27(36-26)25(20)32-21)8-9-33(23)14-16-2-3-16/h4-7,10,16,23,27,32,34-35H,2-3,8-9,11-14H2,1H3,(H2,30,31)/t23-,27+,28+,29-/m1/s1
SMILES: CC1(COC2([C@H]3[C@@H]2[C@H]4C(=C5[C@@H]3C(=O)C6=CC=CC=C65)OCCO4)OC1)C
InChI: InChI=1S/C21H22O5/c1-20(2)9-25-21(26-10-20)15-14-13(11-5-3-4-6-12(11)17(14)22)18-19(16(15)21)24-8-7-23-18/h3-6,14-16,19H,7-10H2,1-2H3/t14-,15+,16+,19-/m0/s1
SMILES: C1=C[C@H]2[C@H]([C@H]([C@@H]1O2)C(=O)NC3=CC(=C(C=C3)Cl)Cl)C(=O)O
InChI: InChI=1S/C14H11Cl2NO4/c15-7-2-1-6(5-8(7)16)17-13(18)11-9-3-4-10(21-9)12(11)14(19)20/h1-5,9-12H,(H,17,18)(H,19,20)/t9-,10+,11+,12-/m1/s1
SMILES: C1=CC=C(C=C1)C2=CN(C3=NC=NC(=C23)NC4=CC=CC=C4)[C@H]5[C@@H]([C@@H]([C@H](O5)CN)O)O
InChI: InChI=1S/C23H23N5O3/c24-11-17-19(29)20(30)23(31-17)28-12-16(14-7-3-1-4-8-14)18-21(25-13-26-22(18)28)27-15-9-5-2-6-10-15/h1-10,12-13,17,19-20,23,29-30H,11,24H2,(H,25,26,27)/t17-,19-,20-,23-/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F
InChI: InChI=1S/C20H29FN2O5S/c1-13-6-5-7-18(14(13)2)22-20(25)15(3)28-19(24)12-23(4)29(26,27)17-10-8-16(21)9-11-17/h8-11,13-15,18H,5-7,12H2,1-4H3,(H,22,25)/t13-,14+,15+,18-/m0/s1
SMILES: CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)N3[C@H]4CCN(C[C@H]4C5=C3C=CC(=C5)C)C
InChI: InChI=1S/C30H35N3O5S/c1-5-37-23-11-13-25(14-12-23)39(35,36)32(4)22-7-9-24(10-8-22)38-20-30(34)33-28-15-6-21(2)18-26(28)27-19-31(3)17-16-29(27)33/h6-15,18,27,29H,5,16-17,19-20H2,1-4H3/t27-,29-/m0/s1
SMILES: CC[C@@]1(CC2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O
InChI: InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28?,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4N3CC[C@@H](C4)O
InChI: InChI=1S/C22H38N2O2/c1-21(2,3)23-20(26)18-8-7-17-16-6-5-14-13-15(25)10-12-24(14)19(16)9-11-22(17,18)4/h14-19,25H,5-13H2,1-4H3,(H,23,26)/t14-,15-,16-,17-,18+,19-,22-/m0/s1
SMILES: COC1=C(C=CC(=C1)C=C[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=C(C=C8)C=C)O
InChI: InChI=1S/C43H33Cl2F3N4O6/c1-3-22-4-12-27(13-5-22)51-38(54)29-15-14-28-30(36(29)40(51)56)20-32-39(55)52(50-37-33(45)19-25(21-49-37)43(46,47)48)41(57)42(32,24-8-10-26(44)11-9-24)31(28)16-6-23-7-17-34(53)35(18-23)58-2/h3-14,16-19,21,29-32,36,53H,1,15,20H2,2H3,(H,49,50)/t29-,30+,31-,32-,36-,42-/m0/s1
SMILES: CCCCCCCCCCCCCCCCCC(=O)O[C@H]1C[C@@H]2[C@](CC[C@@H]([C@@]2(C)COC(=O)C)OC(=O)C)([C@@H]3[C@@]1(OC4=C([C@@H]3O)C(=O)OC(=C4)C5=CN=CC=C5)C)C
InChI: InChI=1S/C47H69NO10/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-40(51)57-39-29-37-45(4,26-25-38(55-33(3)50)46(37,5)31-54-32(2)49)43-42(52)41-36(58-47(39,43)6)28-35(56-44(41)53)34-23-22-27-48-30-34/h22-23,27-28,30,37-39,42-43,52H,7-21,24-26,29,31H2,1-6H3/t37-,38+,39+,42+,43-,45+,46+,47-/m1/s1
SMILES: CC1(O[C@H]2[C@@H](O1)[C@@H](O[C@@H]2[C@@H](C(=O)OC)O)OC)C
InChI: InChI=1S/C11H18O7/c1-11(2)17-7-6(5(12)9(13)14-3)16-10(15-4)8(7)18-11/h5-8,10,12H,1-4H3/t5-,6+,7+,8+,10+/m0/s1
SMILES: CO[C@@H]1C[C@H]2[C@@H]([C@H]([C@H]1OC)OC)[C@@H](OC2=O)C(=O)O
InChI: InChI=1S/C12H18O7/c1-16-6-4-5-7(9(18-3)8(6)17-2)10(11(13)14)19-12(5)15/h5-10H,4H2,1-3H3,(H,13,14)/t5-,6+,7-,8-,9+,10+/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@@]23CN(C(=O)O3)C[C@@H]4CC[C@H]5C[C@@H]4C5(C)C)C6=C(C=C(C[C@H](CC1)O)C=C6)C(=O)C7=CC=C(O7)C8=C(C=CC(=C8)C(F)(F)F)Cl)C
InChI: InChI=1S/C45H51ClF3NO5/c1-26-6-5-18-43(4)35(17-19-44(43)25-50(41(53)55-44)24-28-9-10-29-23-36(28)42(29,2)3)32-13-8-27(20-31(51)12-7-26)21-33(32)40(52)39-16-15-38(54-39)34-22-30(45(47,48)49)11-14-37(34)46/h6,8,11,13-16,21-22,28-29,31,35-36,51H,5,7,9-10,12,17-20,23-25H2,1-4H3/t28-,29-,31-,35-,36-,43-,44+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)CNC6=CC(=O)CC[C@]36C
InChI: InChI=1S/C32H36F2N2O2/c1-31-16-14-26-24(18-35-28-17-23(37)13-15-32(26,28)2)25(31)11-12-27(31)30(38)36-29(19-3-7-21(33)8-4-19)20-5-9-22(34)10-6-20/h3-10,17,24-27,29,35H,11-16,18H2,1-2H3,(H,36,38)/t24-,25-,26-,27+,31-,32+/m0/s1
SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOC(=O)[C@@H]3C[C@H]4CC[C@H]3C4
InChI: InChI=1S/C20H27N4O2S/c1-12-18(5-6-26-20(25)17-8-14-3-4-15(17)7-14)27-11-24(12)10-16-9-22-13(2)23-19(16)21/h9,11,14-15,17H,3-8,10H2,1-2H3,(H2,21,22,23)/q+1/t14-,15-,17+/m0/s1
SMILES: C1[C@@]2([C@H]([C@@H]([C@@H](N3[C@]2(C4=CC=CC=C4C3=O)O)/C=N/OCC5=CC=CC=C5)OCC6=CC=CC=C6)O[C@@H](O1)C7=CC=CC=C7)O
InChI: InChI=1S/C35H32N2O7/c38-32-27-18-10-11-19-28(27)35(40)34(39)23-42-33(26-16-8-3-9-17-26)44-31(34)30(41-21-24-12-4-1-5-13-24)29(37(32)35)20-36-43-22-25-14-6-2-7-15-25/h1-20,29-31,33,39-40H,21-23H2/b36-20+/t29-,30+,31-,33+,34-,35+/m0/s1
SMILES: CC(C)(C)C(=O)OCN1C(=O)C(=CN(C1=O)[C@H]2C[C@@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)COC
InChI: InChI=1S/C29H54N2O8Si2/c1-27(2,3)25(33)36-19-31-24(32)20(17-35-10)16-30(26(31)34)23-15-21(39-41(13,14)29(7,8)9)22(38-23)18-37-40(11,12)28(4,5)6/h16,21-23H,15,17-19H2,1-14H3/t21-,22+,23+/m0/s1
SMILES: CC1=CC(=C(C(=C1COC2=CC=C(C=C2)Cl)C)[C@H]3[C@H]4CCCC=C4C(=C(C3(C#N)C#N)N)C#N)C
InChI: InChI=1S/C29H27ClN4O/c1-17-12-18(2)26(19(3)25(17)14-35-21-10-8-20(30)9-11-21)27-23-7-5-4-6-22(23)24(13-31)28(34)29(27,15-32)16-33/h6,8-12,23,27H,4-5,7,14,34H2,1-3H3/t23-,27+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3
InChI: InChI=1S/C22H26N2O5/c1-14-7-5-10-17(15(14)2)23-20(25)13-29-22(27)16-8-3-4-9-18(16)24-21(26)19-11-6-12-28-19/h3-4,6,8-9,11-12,14-15,17H,5,7,10,13H2,1-2H3,(H,23,25)(H,24,26)/t14-,15-,17+/m1/s1
SMILES: C1CCCN(CCC1)C(=O)[C@@H]2[C@H]3C(=O)O[C@@H]([C@@H](N3[C@@H]([C@]24C5=C(C=CC(=C5)C#CC6(CCCCCC6)O)NC4=O)C7=CC=C(C=C7)OCCO)C8=CC=CC=C8)C9=CC=CC=C9
InChI: InChI=1S/C51H55N3O7/c55-32-33-60-39-23-21-38(22-24-39)46-51(40-34-35(20-25-41(40)52-49(51)58)26-29-50(59)27-12-2-3-13-28-50)42(47(56)53-30-14-4-1-5-15-31-53)44-48(57)61-45(37-18-10-7-11-19-37)43(54(44)46)36-16-8-6-9-17-36/h6-11,16-25,34,42-46,55,59H,1-5,12-15,27-28,30-33H2,(H,52,58)/t42-,43-,44-,45+,46+,51-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=CC=C(C=C2)C=O)CO)O)O
InChI: InChI=1S/C15H19NO7/c1-8(19)16-12-14(21)13(20)11(7-18)23-15(12)22-10-4-2-9(6-17)3-5-10/h2-6,11-15,18,20-21H,7H2,1H3,(H,16,19)/t11-,12-,13-,14-,15-/m1/s1
SMILES: CSCC[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)C3CCCC3)[C@@]4(N1)C5=C(C=CC(=C5)F)NC4=O
InChI: InChI=1S/C21H24FN3O3S/c1-29-9-8-15-16-17(19(27)25(18(16)26)12-4-2-3-5-12)21(24-15)13-10-11(22)6-7-14(13)23-20(21)28/h6-7,10,12,15-17,24H,2-5,8-9H2,1H3,(H,23,28)/t15-,16+,17-,21-/m0/s1
SMILES: CC(C)[Si]1(O[C@H]([C@@H](O1)C(C)(C)C=C)CNC(=O)OCC2=CC=CC=C2)C(C)C
InChI: InChI=1S/C22H35NO4Si/c1-8-22(6,7)20-19(26-28(27-20,16(2)3)17(4)5)14-23-21(24)25-15-18-12-10-9-11-13-18/h8-13,16-17,19-20H,1,14-15H2,2-7H3,(H,23,24)/t19-,20+/m0/s1
SMILES: C1[C@H]2[C@H]3[C@@H]([C@H]1[C@@H]4[C@@H]2C(=O)N(C4=O)C5=CC=C(C=C5)Cl)SC6=C([C@@H]3C7=CC=CO7)SC(=O)N6
InChI: InChI=1S/C23H17ClN2O4S2/c24-9-3-5-10(6-4-9)26-21(27)15-11-8-12(16(15)22(26)28)18-14(11)17(13-2-1-7-30-13)19-20(31-18)25-23(29)32-19/h1-7,11-12,14-18H,8H2,(H,25,29)/t11-,12+,14+,15+,16+,17+,18+/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@@H]([C@H]2C(=O)O)C(=O)NNC(=O)CC3=CC=C(C=C3)Cl
InChI: InChI=1S/C17H19ClN2O4/c18-12-5-1-9(2-6-12)7-13(21)19-20-16(22)14-10-3-4-11(8-10)15(14)17(23)24/h1-2,5-6,10-11,14-15H,3-4,7-8H2,(H,19,21)(H,20,22)(H,23,24)/t10-,11+,14+,15+/m1/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)NCC(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC=C6)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O
InChI: InChI=1S/C37H37NO18/c1-10-6-15-22(29(48)19(10)35(52)38-8-18(41)42)21-13(7-14-23(30(21)49)25(44)12-4-3-5-16(39)20(12)26(14)45)27(46)33(15)55-37-32(51)34(24(43)11(2)54-37)56-36-31(50)28(47)17(40)9-53-36/h3-7,11,17,24,27-28,31-34,36-37,39-40,43,46-51H,8-9H2,1-2H3,(H,38,52)(H,41,42)/t11-,17-,24+,27+,28+,31-,32-,33+,34+,36+,37+/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)NN2C(=O)[C@@H]3[C@@H](C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI: InChI=1S/C25H18N2O3/c28-23(14-8-2-1-3-9-14)26-27-24(29)21-19-15-10-4-5-11-16(15)20(22(21)25(27)30)18-13-7-6-12-17(18)19/h1-13,19-22H,(H,26,28)/t19?,20?,21-,22-/m0/s1
SMILES: C1[C@H]([C@@H]([C@H](C=C1C(=O)NCCO)OC2=CC=CC=C2I)O)N(CC3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)C(F)(F)F
InChI: InChI=1S/C30H27ClF3IN2O5/c31-22-11-5-18(6-12-22)17-37(29(41)19-7-9-21(10-8-19)30(32,33)34)24-15-20(28(40)36-13-14-38)16-26(27(24)39)42-25-4-2-1-3-23(25)35/h1-12,16,24,26-27,38-39H,13-15,17H2,(H,36,40)/t24-,26+,27+/m1/s1
SMILES: C1C=C[C@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3Cl)Cl)C4=C(C(=CC=C4)Cl)Cl
InChI: InChI=1S/C18H13Cl4N/c19-9-7-13-10-3-1-4-11(10)17(23-18(13)15(21)8-9)12-5-2-6-14(20)16(12)22/h1-3,5-8,10-11,17,23H,4H2/t10-,11-,17+/m0/s1
SMILES: CC(=O)[C@H]1[C@H](C(=C(C[C@]1(C)O)O)C(=O)C)C2=CC(=C(C=C2)OC)OC
InChI: InChI=1S/C19H24O6/c1-10(20)16-13(22)9-19(3,23)18(11(2)21)17(16)12-6-7-14(24-4)15(8-12)25-5/h6-8,17-18,22-23H,9H2,1-5H3/t17-,18-,19-/m0/s1
SMILES: CC(CCCC(C)[C@H]1CCC2[C@@]1(CCC3C2CCC4=CC(=O)CC[C@]34C)C)CO
InChI: InChI=1S/C27H44O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h16,18-19,22-25,28H,5-15,17H2,1-4H3/t18?,19?,22?,23-,24?,25?,26+,27-/m1/s1