EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCOC(=O)/C=C/O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)OC)CC#C
InChI: InChI=1S/C28H32O7/c1-4-12-23-25(32-18-17-24(29)31-5-2)26(33-19-21-13-8-6-9-14-21)27(28(30-3)35-23)34-20-22-15-10-7-11-16-22/h1,6-11,13-18,23,25-28H,5,12,19-20H2,2-3H3/b18-17+/t23-,25-,26+,27-,28+/m1/s1
SMILES: CC([C@H]([C@@H]1CCC[C@@]1(C(=O)OC)N2CCCC2)C3=CC=CC=C3)[N+](=O)[O-]
InChI: InChI=1S/C20H28N2O4/c1-15(22(24)25)18(16-9-4-3-5-10-16)17-11-8-12-20(17,19(23)26-2)21-13-6-7-14-21/h3-5,9-10,15,17-18H,6-8,11-14H2,1-2H3/t15?,17-,18-,20+/m0/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)[C@]23C[C@@H]4[C@H]5[C@@H]([C@H]2ON([C@H]3C(=O)O4)CC6=CC=C(C=C6)C=CC(=O)N(C)C)OC(O5)(C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C48H56N4O11/c1-46(2,3)60-38(55)25-23-34(29-53)49-43(56)35-17-12-26-51(35)45(58)47-27-36-39-40(62-48(61-39,32-13-8-6-9-14-32)33-15-10-7-11-16-33)42(47)63-52(41(47)44(57)59-36)28-31-20-18-30(19-21-31)22-24-37(54)50(4)5/h6-11,13-16,18-22,24,34-36,39-42,53H,12,17,23,25-29H2,1-5H3,(H,49,56)/t34-,35+,36+,39-,40-,41-,42+,47-/m0/s1
SMILES: CC(C)(C)OC(=O)N1C[C@H]([C@](C1=O)(CC2=CC=CC=C2)[Se]C3=CC=CC=C3)C4=CN=CN4C
InChI: InChI=1S/C26H29N3O3Se/c1-25(2,3)32-24(31)29-17-21(22-16-27-18-28(22)4)26(23(29)30,15-19-11-7-5-8-12-19)33-20-13-9-6-10-14-20/h5-14,16,18,21H,15,17H2,1-4H3/t21-,26-/m0/s1
SMILES: CC(C)(C)OC(=O)NCCC[C@H]1[C@@H]2CCN([C@@H]2C3=C(N1)C=CC(=C3)C(=O)OC)C(=O)OC(C)(C)C
InChI: InChI=1S/C26H39N3O6/c1-25(2,3)34-23(31)27-13-8-9-19-17-12-14-29(24(32)35-26(4,5)6)21(17)18-15-16(22(30)33-7)10-11-20(18)28-19/h10-11,15,17,19,21,28H,8-9,12-14H2,1-7H3,(H,27,31)/t17-,19-,21-/m0/s1
SMILES: CC(C)(C)C(=O)[C@@H]1[C@@H]2[C@H]([C@H]3N1N=CC=C3)C(=O)N(C2=O)C4=CC=C(C=C4)OC
InChI: InChI=1S/C21H23N3O4/c1-21(2,3)18(25)17-16-15(14-6-5-11-22-24(14)17)19(26)23(20(16)27)12-7-9-13(28-4)10-8-12/h5-11,14-17H,1-4H3/t14-,15-,16-,17-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@]([C@@H]1CC(=O)[C@](O2)(C)[C@H]4CO4)(C[C@@H](C(=O)C3(C)C)O)C
InChI: InChI=1S/C20H30O5/c1-17(2)12-6-7-19(4)13(18(12,3)9-11(21)16(17)23)8-14(22)20(5,25-19)15-10-24-15/h11-13,15,21H,6-10H2,1-5H3/t11-,12+,13-,15+,18+,19-,20+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(C(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)OC(=O)C)O)O)C5=CC(=C(C=C5)O)O)O)OC)O)O)O
InChI: InChI=1S/C30H34O17/c1-9-18(34)21(37)23(39)29(42-9)46-16-8-15-17(19(35)27(16)41-4)20(36)28(26(45-15)12-5-6-13(32)14(33)7-12)47-30-24(40)22(38)25(10(2)43-30)44-11(3)31/h5-10,18,21-25,29-30,32-35,37-40H,1-4H3/t9-,10-,18-,21+,22-,23+,24+,25-,29-,30-/m0/s1
SMILES: C[Si](C)(C)O[C@@]12CC=CC[C@]3([C@@H]1CC[C@@H]2C3)O
InChI: InChI=1S/C14H24O2Si/c1-17(2,3)16-14-9-5-4-8-13(15)10-11(14)6-7-12(13)14/h4-5,11-12,15H,6-10H2,1-3H3/t11-,12+,13+,14-/m1/s1
SMILES: CC1=C[C@]2(CC3([C@@H]1[C@@H]4[C@H]2C=CC4=O)OCCO3)C
InChI: InChI=1S/C15H18O3/c1-9-7-14(2)8-15(17-5-6-18-15)13(9)12-10(14)3-4-11(12)16/h3-4,7,10,12-13H,5-6,8H2,1-2H3/t10-,12-,13+,14+/m1/s1
SMILES: C1CC[C@H]2CN(CC[C@H]2C1)C(=O)COC(=O)C3=CC=C(C=C3)N4CCCC4=O
InChI: InChI=1S/C22H28N2O4/c25-20-6-3-12-24(20)19-9-7-17(8-10-19)22(27)28-15-21(26)23-13-11-16-4-1-2-5-18(16)14-23/h7-10,16,18H,1-6,11-15H2/t16-,18+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]([C@@H]([C@H]([C@H]2[C@@H]([C@@H]([C@H](CO)OCOC)OCOC)OCOC)OCOC)OCOC)COCOC
InChI: InChI=1S/C28H49NO15S/c1-20-8-10-21(11-9-20)45(31,32)29-22(13-39-14-33-2)25(41-16-35-4)27(43-18-37-6)24(29)28(44-19-38-7)26(42-17-36-5)23(12-30)40-15-34-3/h8-11,22-28,30H,12-19H2,1-7H3/t22-,23-,24-,25-,26+,27-,28-/m0/s1
SMILES: CC1=CC=C(C=C1)N([C@H]2CS(=O)(=O)C[C@H]2OC(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C25H23NO5S/c1-18-12-14-21(15-13-18)26(24(27)19-8-4-2-5-9-19)22-16-32(29,30)17-23(22)31-25(28)20-10-6-3-7-11-20/h2-15,22-23H,16-17H2,1H3/t22-,23+/m0/s1
SMILES: CN1C(=O)C2=C(N[C@@H]3[C@H](N2)[C@H]([C@@H](CO3)O)O)N=C1OC
InChI: InChI=1S/C11H16N4O5/c1-15-10(18)6-8(14-11(15)19-2)13-9-5(12-6)7(17)4(16)3-20-9/h4-5,7,9,12-13,16-17H,3H2,1-2H3/t4-,5-,7+,9+/m1/s1
SMILES: C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O
InChI: InChI=1S/C20H23N3O6S/c24-18(13-23-19(25)16-3-1-2-4-17(16)20(23)26)21-14-5-7-15(8-6-14)30(27,28)22-9-11-29-12-10-22/h1-2,5-8,16-17H,3-4,9-13H2,(H,21,24)/t16-,17-/m1/s1
SMILES: CC1=CC(=NN1)NC(=O)[C@H]2[C@@H]3C4=CC=CC=C4CCN3C(=O)CC2=O
InChI: InChI=1S/C18H18N4O3/c1-10-8-14(21-20-10)19-18(25)16-13(23)9-15(24)22-7-6-11-4-2-3-5-12(11)17(16)22/h2-5,8,16-17H,6-7,9H2,1H3,(H2,19,20,21,25)/t16-,17+/m1/s1
SMILES: C1C[NH+](CC[NH+]1[C@H]2CS(=O)(=O)C[C@@H]2O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C21H26N2O3S/c24-20-16-27(25,26)15-19(20)22-11-13-23(14-12-22)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-21,24H,11-16H2/p+2/t19-,20-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)COC2=CC=CC=C2[N+](=O)[O-]
InChI: InChI=1S/C18H23N3O7/c1-12-6-2-3-7-13(12)19-18(24)20-16(22)10-28-17(23)11-27-15-9-5-4-8-14(15)21(25)26/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H2,19,20,22,24)/t12-,13-/m1/s1
SMILES: CCCCC(=O)O[C@H]1CC[C@@]2(C3CC[C@@]4([C@H](CC[C@@]4(C3CC[C@@]2(C1)O)O)C5=CC(=O)OC5)C)C=O
InChI: InChI=1S/C28H40O7/c1-3-4-5-23(30)35-19-6-11-26(17-29)21-7-10-25(2)20(18-14-24(31)34-16-18)9-13-28(25,33)22(21)8-12-27(26,32)15-19/h14,17,19-22,32-33H,3-13,15-16H2,1-2H3/t19-,20+,21?,22?,25+,26-,27-,28-/m0/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@@H](C(=O)C[C@@]([C@@H]2C(=O)OCC3=CC=CC=C3)(C)O)C(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C30H30O6/c1-20-13-15-23(16-14-20)25-26(28(32)35-18-21-9-5-3-6-10-21)24(31)17-30(2,34)27(25)29(33)36-19-22-11-7-4-8-12-22/h3-16,25-27,34H,17-19H2,1-2H3/t25-,26+,27-,30+/m0/s1
SMILES: CC1=CC=C(C=C1)N(C)C(=O)[C@H]([C@H]2[C@@H]3N(C2=O)[C@H](C(S3)(C)C)C(=O)OCC4=CC=CC=C4)O
InChI: InChI=1S/C25H28N2O5S/c1-15-10-12-17(13-11-15)26(4)22(30)19(28)18-21(29)27-20(25(2,3)33-23(18)27)24(31)32-14-16-8-6-5-7-9-16/h5-13,18-20,23,28H,14H2,1-4H3/t18-,19+,20+,23-/m1/s1
SMILES: COC1=C(C=C(C=C1)CCNC(=O)CCCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)OC
InChI: InChI=1S/C22H28N2O5/c1-28-18-10-9-15(14-19(18)29-2)11-12-23-20(25)8-5-13-24-21(26)16-6-3-4-7-17(16)22(24)27/h3-4,9-10,14,16-17H,5-8,11-13H2,1-2H3,(H,23,25)/t16-,17+
SMILES: CCOC(=O)N1CC[C@]2(CCCC[C@H]2[C@@H]1C3=C(C=C(C=C3)OC)OC)O
InChI: InChI=1S/C20H29NO5/c1-4-26-19(22)21-12-11-20(23)10-6-5-7-16(20)18(21)15-9-8-14(24-2)13-17(15)25-3/h8-9,13,16,18,23H,4-7,10-12H2,1-3H3/t16-,18-,20-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O[C@H]2[C@@H](CC(=O)O2)CC3=CC=CC=C3)C(C)C
InChI: InChI=1S/C21H30O3/c1-14(2)18-10-9-15(3)11-19(18)23-21-17(13-20(22)24-21)12-16-7-5-4-6-8-16/h4-8,14-15,17-19,21H,9-13H2,1-3H3/t15-,17-,18+,19-,21-/m1/s1
SMILES: C[C@]12CCCC(=C)[C@@H]1C[C@H]3[C@@H](C2)OC(=O)[C@H]3CNCCC4=CC=CC=C4
InChI: InChI=1S/C23H31NO2/c1-16-7-6-11-23(2)14-21-18(13-20(16)23)19(22(25)26-21)15-24-12-10-17-8-4-3-5-9-17/h3-5,8-9,18-21,24H,1,6-7,10-15H2,2H3/t18-,19+,20+,21-,23-/m1/s1
SMILES: C1CN(CCN1C2=NC=CC=N2)C(=O)[C@@H]3[C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]([C@]35C6=C(C=CC(=C6)C#CCNC(=O)N)N(C5=O)C(=O)OCC7=CC=C(C=C7)[N+](=O)[O-])C8=CC=C(C=C8)O)C9=CC=CC=C9)C1=CC=CC=C1
InChI: InChI=1S/C53H45N9O10/c54-50(67)55-24-7-9-33-16-23-41-40(31-33)53(49(66)60(41)52(68)71-32-34-14-19-38(20-15-34)62(69)70)42(47(64)58-27-29-59(30-28-58)51-56-25-8-26-57-51)44-48(65)72-45(36-12-5-2-6-13-36)43(35-10-3-1-4-11-35)61(44)46(53)37-17-21-39(63)22-18-37/h1-6,8,10-23,25-26,31,42-46,63H,24,27-30,32H2,(H3,54,55,67)/t42-,43-,44-,45+,46+,53-/m0/s1
SMILES: COC(=O)NC[C@@H]1[C@H]([C@H](C(O1)N2C=NC3=C(N=CN=C32)N[C@@H]4CCOC4)O)O
InChI: InChI=1S/C16H22N6O6/c1-26-16(25)17-4-9-11(23)12(24)15(28-9)22-7-20-10-13(18-6-19-14(10)22)21-8-2-3-27-5-8/h6-9,11-12,15,23-24H,2-5H2,1H3,(H,17,25)(H,18,19,21)/t8-,9-,11-,12-,15?/m1/s1
SMILES: C1CC[C@H]2[C@@H](CC3=C(N2CC1)C=CC(=C3)[N+](=O)[O-])C(=O)O
InChI: InChI=1S/C15H18N2O4/c18-15(19)12-9-10-8-11(17(20)21)5-6-13(10)16-7-3-1-2-4-14(12)16/h5-6,8,12,14H,1-4,7,9H2,(H,18,19)/t12-,14+/m1/s1
SMILES: CC1=C2[C@@H]3[C@@H]([C@@]4(CCC[C@H]([C@H]4[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)C5=CC=CC=C5)OC)C)OC(O3)(C)C
InChI: InChI=1S/C30H42O7/c1-17-19(31)16-30(33)24(35-26(32)18-12-9-8-10-13-18)22-20(34-7)14-11-15-29(22,6)25-23(21(17)27(30,2)3)36-28(4,5)37-25/h8-10,12-13,19-20,22-25,31,33H,11,14-16H2,1-7H3/t19-,20+,22-,23+,24-,25-,29+,30+/m0/s1
SMILES: CCN1C(=NN=C1SCC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)C3=CC=NC=C3
InChI: InChI=1S/C19H26N6O2S/c1-3-25-17(14-8-10-20-11-9-14)23-24-19(25)28-12-16(26)22-18(27)21-15-7-5-4-6-13(15)2/h8-11,13,15H,3-7,12H2,1-2H3,(H2,21,22,26,27)/t13-,15+/m0/s1
SMILES: CC[C@@H]1C[C@H]2CC[C@H](O2)[C@@H](C(=O)O[C@H](C[C@@H]3CC[C@@H](O3)[C@H](C(=O)O[C@@H](C[C@H]4CC[C@H](O4)[C@@H](C(=O)O[C@H](C[C@@H]5CC[C@@H](O5)[C@H](C(=O)O1)C)C)C)CC)C)C)C
InChI: InChI=1S/C42H68O12/c1-9-29-21-33-13-17-35(51-33)25(5)39(43)47-24(4)20-32-12-16-38(50-32)28(8)42(46)54-30(10-2)22-34-14-18-36(52-34)26(6)40(44)48-23(3)19-31-11-15-37(49-31)27(7)41(45)53-29/h23-38H,9-22H2,1-8H3/t23-,24-,25-,26-,27+,28+,29+,30+,31-,32-,33+,34+,35-,36-,37+,38+/m0/s1
SMILES: CC1=C(SC(=C1C#N)NC(=O)[C@@H]2C[C@@H]2C3=CC=CC=C3)C
InChI: InChI=1S/C17H16N2OS/c1-10-11(2)21-17(15(10)9-18)19-16(20)14-8-13(14)12-6-4-3-5-7-12/h3-7,13-14H,8H2,1-2H3,(H,19,20)/t13-,14-/m1/s1
SMILES: CCCCCCCCC#CC#CCCCC(=O)O[C@@H]1[C@H]([C@H](O[C@H]2[C@H]1O[C@@H](OC2)C3=CC=CC=C3)OC)O
InChI: InChI=1S/C30H40O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-25(31)36-28-26(32)30(33-2)35-24-22-34-29(37-27(24)28)23-19-16-15-17-20-23/h15-17,19-20,24,26-30,32H,3-9,14,18,21-22H2,1-2H3/t24-,26-,27-,28-,29-,30+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OP(=O)(N(CN2C(=O)C3=CC=CC=C3C2=O)C(C)(C)C)OC)C(C)C
InChI: InChI=1S/C24H37N2O5P/c1-16(2)18-13-12-17(3)14-21(18)31-32(29,30-7)26(24(4,5)6)15-25-22(27)19-10-8-9-11-20(19)23(25)28/h8-11,16-18,21H,12-15H2,1-7H3/t17-,18+,21-,32?/m1/s1
SMILES: C1COCCN1C2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@H]6C(=O)C(=CC(=O)[C@]6([C@H]5C7=C(C=CC8=CC=CC=C87)O)C9=CC=CC=C9)C1=CC=CC=C1
InChI: InChI=1S/C48H40N2O6/c51-40-22-15-30-11-7-8-14-34(30)43(40)44-35-20-21-36-42(47(55)50(46(36)54)33-18-16-32(17-19-33)49-23-25-56-26-24-49)38(35)27-39-45(53)37(29-9-3-1-4-10-29)28-41(52)48(39,44)31-12-5-2-6-13-31/h1-20,22,28,36,38-39,42,44,51H,21,23-27H2/t36-,38+,39-,42-,44+,48-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]3[C@]2(C[C@@H]4[C@](C3)(O4)C(C)C)C
InChI: InChI=1S/C17H23NO3S/c1-11(2)17-9-14-16(4,10-15(17)21-17)18(14)22(19,20)13-7-5-12(3)6-8-13/h5-8,11,14-15H,9-10H2,1-4H3/t14-,15+,16+,17+,18?/m0/s1
SMILES: C[C@]12CC[C@@H]([C@@]([C@@H]1CCCC2=C)(C)CC3=C(C(=O)C=C(C3=O)OC)O)COC(=O)CCCCCNC(=O)OC(C)(C)C
InChI: InChI=1S/C33H49NO8/c1-21-12-11-13-26-32(21,5)16-15-22(33(26,6)19-23-28(37)24(35)18-25(40-7)29(23)38)20-41-27(36)14-9-8-10-17-34-30(39)42-31(2,3)4/h18,22,26,37H,1,8-17,19-20H2,2-7H3,(H,34,39)/t22-,26-,32-,33-/m1/s1
SMILES: C1CCC(CC1)C(C(=O)O)N2C[C@@H]([C@H](C2)C3=CC(=CC=C3)F)CN4CCC(CC4)(CCCC5=CC(=C(C=C5)F)F)O
InChI: InChI=1S/C33H43F3N2O3/c34-27-10-4-9-25(19-27)28-22-38(31(32(39)40)24-7-2-1-3-8-24)21-26(28)20-37-16-14-33(41,15-17-37)13-5-6-23-11-12-29(35)30(36)18-23/h4,9-12,18-19,24,26,28,31,41H,1-3,5-8,13-17,20-22H2,(H,39,40)/t26-,28+,31?/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)N2C3=CC=CC=C3)CCP(=O)(C4=CC=CC=C4)O
InChI: InChI=1S/C24H24NO4P/c1-29-20-14-12-18(13-15-20)23-22(24(26)25(23)19-8-4-2-5-9-19)16-17-30(27,28)21-10-6-3-7-11-21/h2-15,22-23H,16-17H2,1H3,(H,27,28)/t22-,23-/m1/s1
SMILES: CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CC[C@@]4(CCCC[C@H]4C3)O
InChI: InChI=1S/C23H29NO5/c1-2-5-16-12-22(26)29-20-13-18(7-8-19(16)20)28-15-21(25)24-11-10-23(27)9-4-3-6-17(23)14-24/h7-8,12-13,17,27H,2-6,9-11,14-15H2,1H3/t17-,23+/m0/s1
SMILES: COC1=CC=CC(=C1)N2CCN(CC2)C[C@@H]3C[C@@H]4C[C@@H]3C=C4
InChI: InChI=1S/C19H26N2O/c1-22-19-4-2-3-18(13-19)21-9-7-20(8-10-21)14-17-12-15-5-6-16(17)11-15/h2-6,13,15-17H,7-12,14H2,1H3/t15-,16-,17-/m0/s1
SMILES: CC1=CC[C@@H]([C@H](C1)C(=O)NC2=CC=C(C=C2)OC)C(=O)O
InChI: InChI=1S/C16H19NO4/c1-10-3-8-13(16(19)20)14(9-10)15(18)17-11-4-6-12(21-2)7-5-11/h3-7,13-14H,8-9H2,1-2H3,(H,17,18)(H,19,20)/t13-,14-/m0/s1
SMILES: CN1C2CCC1[C@@H]([C@H](C2)C3=CC(=CC=C3)Cl)COC4=C(C(=CC=C4)Cl)Cl
InChI: InChI=1S/C21H22Cl3NO/c1-25-15-8-9-19(25)17(12-26-20-7-3-6-18(23)21(20)24)16(11-15)13-4-2-5-14(22)10-13/h2-7,10,15-17,19H,8-9,11-12H2,1H3/t15?,16-,17-,19?/m1/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)C=CC(=C8)CC(=S)N
InChI: InChI=1S/C28H29N3O3S/c29-22(35)10-15-3-5-19-17(9-15)18-12-28(33)21-11-16-4-6-20(32)25-23(16)27(28,26(34-25)24(18)30-19)7-8-31(21)13-14-1-2-14/h3-6,9,14,21,26,30,32-33H,1-2,7-8,10-13H2,(H2,29,35)/t21-,26+,27+,28-/m1/s1
SMILES: C1OC2=C(O1)C=C(C=C2)CN3[C@H]([C@H](C3=O)OC4=CC=C(C=C4)Cl)C5=CC=CS5
InChI: InChI=1S/C21H16ClNO4S/c22-14-4-6-15(7-5-14)27-20-19(18-2-1-9-28-18)23(21(20)24)11-13-3-8-16-17(10-13)26-12-25-16/h1-10,19-20H,11-12H2/t19-,20+/m0/s1
SMILES: CC[Si](CC)(CC)O[C@H]1CC=C[C@@H]([C@@]12C3C(CCC2=O)C(=O)N(C3=O)CC4=CC=CC=C4)CCCO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C
InChI: InChI=1S/C45H59NO5Si2/c1-7-52(8-2,9-3)51-40-29-19-23-35(24-20-32-50-53(44(4,5)6,36-25-15-11-16-26-36)37-27-17-12-18-28-37)45(40)39(47)31-30-38-41(45)43(49)46(42(38)48)33-34-21-13-10-14-22-34/h10-19,21-23,25-28,35,38,40-41H,7-9,20,24,29-33H2,1-6H3/t35-,38?,40+,41?,45+/m1/s1
SMILES: CCO[C@@H]1C[C@@H]2C[Si](O[C@@H]2[C@H](O1)C/C=C/CSC3=CC=CC=C3)(C)C
InChI: InChI=1S/C20H30O3SSi/c1-4-21-19-14-16-15-25(2,3)23-20(16)18(22-19)12-8-9-13-24-17-10-6-5-7-11-17/h5-11,16,18-20H,4,12-15H2,1-3H3/b9-8+/t16-,18-,19+,20+/m1/s1
SMILES: CCCCCC1=CC(=C2[C@@H]3C=C(CC[C@H]3C(OC2=C1)(C)C)C)O
InChI: InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
SMILES: CCC(=O)N(CC1=CC2=C(C=C1)OCO2)[C@@H]3C=C([C@H]4[C@@H]([C@H]3O)OC5=C4C=C(C=C5OC)CO)C(=O)NCCO
InChI: InChI=1S/C28H32N2O9/c1-3-23(33)30(12-15-4-5-20-21(9-15)38-14-37-20)19-11-18(28(35)29-6-7-31)24-17-8-16(13-32)10-22(36-2)26(17)39-27(24)25(19)34/h4-5,8-11,19,24-25,27,31-32,34H,3,6-7,12-14H2,1-2H3,(H,29,35)/t19-,24+,25+,27+/m1/s1
SMILES: CC1(N([C@H]([C@H](O1)CN(C[C@@H]2[C@@H](N(C(O2)(C)C)C(=O)OC(C)(C)C)CC3=CC=C(C=C3)OCCOC)C(=O)OCC[Si](C)(C)C)CC4=CC=CC=C4)C(=O)OC(C)(C)C)C
InChI: InChI=1S/C45H71N3O10Si/c1-42(2,3)57-40(50)47-35(28-32-18-16-15-17-19-32)37(55-44(47,7)8)30-46(39(49)54-26-27-59(12,13)14)31-38-36(29-33-20-22-34(23-21-33)53-25-24-52-11)48(45(9,10)56-38)41(51)58-43(4,5)6/h15-23,35-38H,24-31H2,1-14H3/t35-,36-,37+,38+/m0/s1
SMILES: CC1([C@@H]2CC[C@]1([C@]([C@@H]2OCOC)(/C=C\[C@]3(COC(O3)(C)C)[C@@H](C=C)OCC4=CC=C(C=C4)OC)O)C=C)C
InChI: InChI=1S/C31H44O7/c1-9-25(35-19-22-11-13-23(34-8)14-12-22)29(20-37-28(5,6)38-29)17-18-31(32)26(36-21-33-7)24-15-16-30(31,10-2)27(24,3)4/h9-14,17-18,24-26,32H,1-2,15-16,19-21H2,3-8H3/b18-17-/t24-,25-,26-,29+,30-,31-/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OC(O1)(C)C
InChI: InChI=1S/C12H20O5/c1-6-7-8(15-11(2,3)14-6)9-10(13-7)17-12(4,5)16-9/h6-10H,1-5H3/t6-,7-,8+,9-,10-/m1/s1
SMILES: C[Si](C)(C)C#C[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C39H44O5Si/c1-45(2,3)25-24-35-37(41-27-32-18-10-5-11-19-32)39(43-29-34-22-14-7-15-23-34)38(42-28-33-20-12-6-13-21-33)36(44-35)30-40-26-31-16-8-4-9-17-31/h4-23,35-39H,26-30H2,1-3H3/t35-,36-,37+,38+,39-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H](C(O2)(COS(=O)(=O)C)COS(=O)(=O)C)N=[N+]=[N-])OS(=O)(=O)C
InChI: InChI=1S/C14H21N5O12S3/c1-8-5-19(13(21)16-11(8)20)12-9(31-34(4,26)27)10(17-18-15)14(30-12,6-28-32(2,22)23)7-29-33(3,24)25/h5,9-10,12H,6-7H2,1-4H3,(H,16,20,21)/t9-,10+,12-/m1/s1
SMILES: CC(=O)[C@H]1CC[C@]2([C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)O
InChI: InChI=1S/C21H34O3/c1-13(22)16-8-11-21(24)18-5-4-14-12-15(23)6-9-19(14,2)17(18)7-10-20(16,21)3/h14-18,23-24H,4-12H2,1-3H3/t14-,15-,16+,17-,18+,19-,20+,21-/m0/s1
SMILES: CCOC(=O)C[C@@H]([C@@H]1[C@@H](C(=O)N1C2=CC=C(C=C2)OC)N=[N+]=[N-])O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C21H32N4O5Si/c1-8-29-17(26)13-16(30-31(6,7)21(2,3)4)19-18(23-24-22)20(27)25(19)14-9-11-15(28-5)12-10-14/h9-12,16,18-19H,8,13H2,1-7H3/t16-,18-,19+/m0/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=CC(=C(C=C7)O)C)C(=O)N(C5=O)C8=CC=C(C=C8)N=NC9=CC=C(C=C9)N(C)C
InChI: InChI=1S/C48H44N6O5/c1-28-10-13-34(14-11-28)51-54-45(57)40-27-39-37(43(30-12-25-41(55)29(2)26-30)48(40,47(54)59)31-8-6-5-7-9-31)23-24-38-42(39)46(58)53(44(38)56)36-21-17-33(18-22-36)50-49-32-15-19-35(20-16-32)52(3)4/h5-23,25-26,38-40,42-43,51,55H,24,27H2,1-4H3/t38-,39+,40-,42-,43-,48+/m0/s1
SMILES: C/C/1=C\CC/C(=C\C[C@@]2([C@H](CCC2=C)C/C=C(/C(=O)CC1)\C)C)/C
InChI: InChI=1S/C23H34O/c1-17-7-6-8-18(2)15-16-23(5)20(4)11-13-21(23)12-10-19(3)22(24)14-9-17/h7,10,15,21H,4,6,8-9,11-14,16H2,1-3,5H3/b17-7+,18-15-,19-10+/t21-,23-/m0/s1
SMILES: CC1(CC(=O)C2([C@@H]3[C@H](C(=O)N(C3=O)C4=CC=CC=C4)ON2)C(=O)C1)C
InChI: InChI=1S/C18H18N2O5/c1-17(2)8-11(21)18(12(22)9-17)13-14(25-19-18)16(24)20(15(13)23)10-6-4-3-5-7-10/h3-7,13-14,19H,8-9H2,1-2H3/t13-,14-/m1/s1
SMILES: COC(=O)[C@@H]1CC2=C([C@H](N1)[C@@H]3[C@@H]([C@@H]4[C@H](O3)OC5(O4)CCCCC5)O)NC6=CC=CC=C26
InChI: InChI=1S/C23H28N2O6/c1-28-21(27)15-11-13-12-7-3-4-8-14(12)24-16(13)17(25-15)19-18(26)20-22(29-19)31-23(30-20)9-5-2-6-10-23/h3-4,7-8,15,17-20,22,24-26H,2,5-6,9-11H2,1H3/t15-,17-,18-,19+,20+,22+/m0/s1
SMILES: CC(=O)[C@H]1CCC2[C@@]1(CCC3C2CCC4=C/C(=N\NC(=O)C[N+](C)(C)C)/CC[C@]34C)C
InChI: InChI=1S/C26H41N3O2/c1-17(30)21-9-10-22-20-8-7-18-15-19(27-28-24(31)16-29(4,5)6)11-13-25(18,2)23(20)12-14-26(21,22)3/h15,20-23H,7-14,16H2,1-6H3/p+1/b27-19-/t20?,21-,22?,23?,25+,26-/m1/s1
SMILES: C[C@]12CCC(=O)C(=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C=CC[C@]4(C(F)(F)F)O)C)Cl
InChI: InChI=1S/C21H26ClF3O2/c1-18-10-8-16(26)17(22)15(18)6-5-12-13(18)7-11-19(2)14(12)4-3-9-20(19,27)21(23,24)25/h3-4,12-14,27H,5-11H2,1-2H3/t12-,13+,14+,18-,19+,20+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@H]2[C@H](O2)[C@H](C1COCC3=CC=CC=C3)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C25H44O4Si2/c1-24(2,3)30(7,8)28-20-19(17-26-16-18-14-12-11-13-15-18)21(23-22(20)27-23)29-31(9,10)25(4,5)6/h11-15,19-23H,16-17H2,1-10H3/t19?,20-,21+,22+,23-
SMILES: CN1CC[C@]23C=C(CC[C@]2([C@H]1CC4=C3C(=C(C=C4)OC)OC)OC)C(=O)N
InChI: InChI=1S/C21H28N2O4/c1-23-10-9-20-12-14(19(22)24)7-8-21(20,27-4)16(23)11-13-5-6-15(25-2)18(26-3)17(13)20/h5-6,12,16H,7-11H2,1-4H3,(H2,22,24)/t16-,20-,21-/m1/s1
SMILES: CCO[C@@H]1[C@@H](CC2=C([C@H]1C3CC(=O)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5O2)C(=O)C
InChI: InChI=1S/C26H25NO5/c1-3-31-25-18(15(2)28)13-21-23(17-11-7-8-12-20(17)32-21)24(25)19-14-22(29)27(26(19)30)16-9-5-4-6-10-16/h4-12,18-19,24-25H,3,13-14H2,1-2H3/t18-,19?,24+,25+/m0/s1
SMILES: CC(=O)N(CCN1C(=O)[C@@H]2[C@@H](C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35)C6=CC=CC7=CC=CC=C76
InChI: InChI=1S/C32H26N2O3/c1-19(35)33(26-16-8-10-20-9-2-3-11-21(20)26)17-18-34-31(36)29-27-22-12-4-5-13-23(22)28(30(29)32(34)37)25-15-7-6-14-24(25)27/h2-16,27-30H,17-18H2,1H3/t27?,28?,29-,30-/m0/s1
SMILES: CC1=C(C(=O)N(C(=N1)SC)[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)Br
InChI: InChI=1S/C20H25BrN2O10S/c1-8-14(21)18(28)23(20(22-8)34-6)19-17(32-12(5)27)16(31-11(4)26)15(30-10(3)25)13(33-19)7-29-9(2)24/h13,15-17,19H,7H2,1-6H3/t13-,15+,16+,17-,19-/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC[C@@H]3[C@@H]([C@H](O[C@H]3N4C=CC(=O)NC4=O)COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=C(C=C7)OC)O
InChI: InChI=1S/C47H50N2O7Si/c1-46(2,3)57(38-21-13-7-14-22-38,39-23-15-8-16-24-39)55-32-30-40-43(51)41(56-44(40)49-31-29-42(50)48-45(49)52)33-54-47(34-17-9-5-10-18-34,35-19-11-6-12-20-35)36-25-27-37(53-4)28-26-36/h5-29,31,40-41,43-44,51H,30,32-33H2,1-4H3,(H,48,50,52)/t40-,41-,43+,44-/m1/s1
SMILES: CC1O[C@@H]2[C@H]([C@@H](O[C@@H]2O1)C(CC(=O)NC(CC(=O)OC)[C@H]3[C@@H]([C@@H]4[C@H](O3)OC(O4)(C)C)OC)N)OC
InChI: InChI=1S/C22H36N2O11/c1-9-30-18-16(28-5)14(32-20(18)31-9)10(23)7-12(25)24-11(8-13(26)27-4)15-17(29-6)19-21(33-15)35-22(2,3)34-19/h9-11,14-21H,7-8,23H2,1-6H3,(H,24,25)/t9?,10?,11?,14-,15-,16-,17-,18+,19+,20-,21+/m0/s1
SMILES: C[C@@H](C(=O)N[C@H]1[C@H](SC2=C(C=C(C=C2)Cl)NC1=O)C3=CC=CC=C3)NC(=O)CC4=CC(=CC(=C4)F)F
InChI: InChI=1S/C26H22ClF2N3O3S/c1-14(30-22(33)11-15-9-18(28)13-19(29)10-15)25(34)32-23-24(16-5-3-2-4-6-16)36-21-8-7-17(27)12-20(21)31-26(23)35/h2-10,12-14,23-24H,11H2,1H3,(H,30,33)(H,31,35)(H,32,34)/t14-,23-,24+/m0/s1
SMILES: CCCC1=CC=C(C=C1)C2=C(SC(=N2)N3C(=O)[C@@H]4[C@H]5CC[C@@H]([C@@H]4C3=O)C5=C(C)C)C
InChI: InChI=1S/C25H28N2O2S/c1-5-6-15-7-9-16(10-8-15)22-14(4)30-25(26-22)27-23(28)20-17-11-12-18(19(17)13(2)3)21(20)24(27)29/h7-10,17-18,20-21H,5-6,11-12H2,1-4H3/t17-,18+,20+,21-
SMILES: C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@H]2[C@@]1(CCCC2=O)C
InChI: InChI=1S/C18H32O2/c1-13(7-5-11-17(2,3)20)14-9-10-15-16(19)8-6-12-18(14,15)4/h13-15,20H,5-12H2,1-4H3/t13-,14+,15-,18-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)OCC(=O)NC3=C(C=CS3)C#N
InChI: InChI=1S/C20H25N3O4S/c1-12-4-3-5-16(13(12)2)23-10-15(8-18(23)25)20(26)27-11-17(24)22-19-14(9-21)6-7-28-19/h6-7,12-13,15-16H,3-5,8,10-11H2,1-2H3,(H,22,24)/t12-,13-,15-,16+/m1/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC)CCOCCOCCO
InChI: InChI=1S/C29H37NO8/c1-3-37-29-24(13-15-35-17-18-36-16-14-31)25(22-9-11-23(12-10-22)28(33)34-2)19-26(38-29)27(32)30-20-21-7-5-4-6-8-21/h4-12,19,24-25,29,31H,3,13-18,20H2,1-2H3,(H,30,32)/t24-,25-,29-/m0/s1
SMILES: C1C[C@H]2[C@@H]3CCC[NH+]4[C@@H]3[C@@H](CCC4)CN2C(=O)C1
InChI: InChI=1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/p+1/t11-,12-,13-,15+/m0/s1
SMILES: COC1=C(C=CC(=C1)[C@@H]2[C@@H]3CCCC[C@]3(CC[NH+]2CC4=CC=C(C=C4)Cl)O)O
InChI: InChI=1S/C23H28ClNO3/c1-28-21-14-17(7-10-20(21)26)22-19-4-2-3-11-23(19,27)12-13-25(22)15-16-5-8-18(24)9-6-16/h5-10,14,19,22,26-27H,2-4,11-13,15H2,1H3/p+1/t19-,22+,23+/m0/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=C(C=C(C=C7OC)O)OC)C(=O)NC5=O
InChI: InChI=1S/C35H33N3O7/c1-18-9-11-20(12-10-18)37-38-33(42)25-17-24-22(13-14-23-28(24)32(41)36-31(23)40)30(29-26(44-2)15-21(39)16-27(29)45-3)35(25,34(38)43)19-7-5-4-6-8-19/h4-13,15-16,23-25,28,30,37,39H,14,17H2,1-3H3,(H,36,40,41)/t23-,24+,25-,28-,30+,35+/m0/s1
SMILES: CCC1=CC=CC(=C1NC(=O)C[NH+]2CCC[C@@H]3[C@@H]2CCCC3)C
InChI: InChI=1S/C20H30N2O/c1-3-16-10-6-8-15(2)20(16)21-19(23)14-22-13-7-11-17-9-4-5-12-18(17)22/h6,8,10,17-18H,3-5,7,9,11-14H2,1-2H3,(H,21,23)/p+1/t17-,18+/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)OC(=O)C)OC)O)O)O)O)O)O
InChI: InChI=1S/C31H36O16/c1-12-22(34)24(36)26(38)30(43-12)42-11-20-23(35)25(37)27(39)31(47-20)46-19-10-18-21(29(28(19)41-4)44-13(2)32)16(33)9-17(45-18)14-5-7-15(40-3)8-6-14/h5-10,12,20,22-27,30-31,34-39H,11H2,1-4H3/t12-,20+,22-,23+,24+,25-,26+,27+,30+,31+/m0/s1
SMILES: C[C@H]1[C@@H]2CCC3[C@@]4(CCC(C4(CCC35C2(C5)CCC1OC(=O)C)C)C(C)CCC(C)C(C)C)C
InChI: InChI=1S/C32H54O2/c1-20(2)21(3)9-10-22(4)25-13-15-30(8)28-12-11-26-23(5)27(34-24(6)33)14-16-31(26)19-32(28,31)18-17-29(25,30)7/h20-23,25-28H,9-19H2,1-8H3/t21?,22?,23-,25?,26-,27?,28?,29?,30-,31?,32?/m0/s1
SMILES: C1=COC2=CC(=C(C=C21)/C=C\C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C17H18O9/c18-7-12-14(21)15(22)16(23)17(26-12)25-11-6-10-9(3-4-24-10)5-8(11)1-2-13(19)20/h1-6,12,14-18,21-23H,7H2,(H,19,20)/b2-1-/t12-,14-,15+,16-,17-/m1/s1
SMILES: CC(=O)N(CN1C(=O)[C@@H]2[C@@H](C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35)C6=CC=CC=C6
InChI: InChI=1S/C27H22N2O3/c1-16(30)28(17-9-3-2-4-10-17)15-29-26(31)24-22-18-11-5-6-12-19(18)23(25(24)27(29)32)21-14-8-7-13-20(21)22/h2-14,22-25H,15H2,1H3/t22?,23?,24-,25-/m0/s1
SMILES: C1=CC(=CC=C1C2=NO[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)Cl)[N+](=O)[O-]
InChI: InChI=1S/C17H10ClN3O5/c18-10-3-7-11(8-4-10)20-16(22)13-14(19-26-15(13)17(20)23)9-1-5-12(6-2-9)21(24)25/h1-8,13,15H/t13-,15+/m0/s1
SMILES: CCC1=CN=C(N1CC(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)C)C(=O)O)[N+](=O)[O-]
InChI: InChI=1S/C18H19N7O6S3/c1-3-10-4-19-17(25(30)31)23(10)5-11(26)20-12-14(27)24-13(16(28)29)9(6-32-15(12)24)7-33-18-22-21-8(2)34-18/h4,12,15H,3,5-7H2,1-2H3,(H,20,26)(H,28,29)/t12-,15-/m1/s1
SMILES: CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)OS(=O)(=O)O)OCC=C)OS(=O)(=O)O.[Na+]
InChI: InChI=1S/C10H18O12S2.Na/c1-3-4-19-8-7(21-23(12,13)14)6(5-11)20-10(18-2)9(8)22-24(15,16)17;/h3,6-11H,1,4-5H2,2H3,(H,12,13,14)(H,15,16,17);/q;+1/t6-,7-,8+,9+,10+;/m1./s1
SMILES: C[C@@H]1CC2=CC=CC=C2N1C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C(=O)[O-]
InChI: InChI=1S/C18H21NO3/c1-10-8-11-4-2-3-5-14(11)19(10)17(20)15-12-6-7-13(9-12)16(15)18(21)22/h2-5,10,12-13,15-16H,6-9H2,1H3,(H,21,22)/p-1/t10-,12-,13+,15+,16+/m1/s1
SMILES: CC(C)C(=O)N=C1N([C@@H]2CS(=O)(=O)C[C@H]2S1)C3=C(C=CC(=C3)Cl)Cl
InChI: InChI=1S/C15H16Cl2N2O3S2/c1-8(2)14(20)18-15-19(11-5-9(16)3-4-10(11)17)12-6-24(21,22)7-13(12)23-15/h3-5,8,12-13H,6-7H2,1-2H3/t12-,13-/m1/s1