EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1C=C[C@@H]2[C@@H]1[C@H](NC3=C2C=CC=C3Cl)C4=CC=CC=C4[N+](=O)[O-]
InChI: InChI=1S/C18H15ClN2O2/c19-15-9-4-8-13-11-6-3-7-12(11)17(20-18(13)15)14-5-1-2-10-16(14)21(22)23/h1-6,8-12,17,20H,7H2/t11-,12-,17+/m1/s1
SMILES: CCN1C2=C(C=C(C=C2)N3C(=O)[C@H]4[C@@H]5C[C@H]([C@@H]4C3=O)C=C5)C6=CC=CC=C61
InChI: InChI=1S/C23H20N2O2/c1-2-24-18-6-4-3-5-16(18)17-12-15(9-10-19(17)24)25-22(26)20-13-7-8-14(11-13)21(20)23(25)27/h3-10,12-14,20-21H,2,11H2,1H3/t13-,14+,20-,21-/m0/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOC3CCCCO3)C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)OC6=CC=C(C=C6)C7=CC=CC=C7)CCCCO)CCCCO)N(CC8=CC=C(C=C8)F)C(=O)OCCCl
InChI: InChI=1S/C54H62ClFN2O9/c1-2-30-64-54-49(58(53(61)63-32-27-55)36-37-17-21-41(56)22-18-37)35-47(57-67-50-16-8-11-31-62-50)45-33-40(14-6-9-28-59)44(15-7-10-29-60)51(52(45)54)46-34-43(25-26-48(46)66-54)65-42-23-19-39(20-24-42)38-12-4-3-5-13-38/h2-5,12-13,17-26,33-34,40,44,49-52,59-60H,1,6-11,14-16,27-32,35-36H2/t40-,44+,49-,50?,51+,52+,54+/m0/s1
SMILES: C[C@@H]1C[C@H]1C2=CC=C(O2)/C=N\N3C(=NNC3=S)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C17H15ClN4OS/c1-10-7-14(10)15-6-5-13(23-15)9-19-22-16(20-21-17(22)24)11-3-2-4-12(18)8-11/h2-6,8-10,14H,7H2,1H3,(H,21,24)/b19-9-/t10-,14-/m1/s1
SMILES: C[C@H]1C[C@@H]1C(=O)O[C@@H](C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC
InChI: InChI=1S/C15H18N2O6/c1-8-6-11(8)15(19)23-9(2)14(18)16-12-5-4-10(17(20)21)7-13(12)22-3/h4-5,7-9,11H,6H2,1-3H3,(H,16,18)/t8-,9-,11-/m0/s1
SMILES: CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N[C@@H]3CC[C@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C22H29N5O2S/c1-27-14-23-26-22(27)30-13-20(28)24-18-9-7-16(8-10-18)21(29)25-19-11-6-15-4-2-3-5-17(15)12-19/h7-10,14-15,17,19H,2-6,11-13H2,1H3,(H,24,28)(H,25,29)/t15-,17-,19-/m1/s1
SMILES: CC(CC=C(C)C)C(=O)/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CCCCCCC(=O)OC)OC(=O)C2=CC=CC=C2)OC3CCCCO3
InChI: InChI=1S/C35H50O7/c1-25(2)19-20-26(3)30(36)22-21-29-28(16-10-5-6-11-17-33(37)39-4)32(42-35(38)27-14-8-7-9-15-27)24-31(29)41-34-18-12-13-23-40-34/h7-9,14-15,19,21-22,26,28-29,31-32,34H,5-6,10-13,16-18,20,23-24H2,1-4H3/b22-21+/t26?,28-,29-,31-,32+,34?/m1/s1
SMILES: CSC1=CC=CC(=C1)NC(=O)NC[C@H]2C[C@@H]3CC[NH+]2C[C@@H]3C#C
InChI: InChI=1S/C18H23N3OS/c1-3-13-12-21-8-7-14(13)9-16(21)11-19-18(22)20-15-5-4-6-17(10-15)23-2/h1,4-6,10,13-14,16H,7-9,11-12H2,2H3,(H2,19,20,22)/p+1/t13-,14-,16+/m0/s1
SMILES: C[C@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)[C@@H](CCCCC(C)(C)O)O
InChI: InChI=1S/C29H48O4/c1-19-22(17-23(30)18-27(19)32)12-11-21-9-8-16-29(5)24(13-14-25(21)29)20(2)26(31)10-6-7-15-28(3,4)33/h11-12,20,23-27,30-33H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23-,24-,25+,26-,27+,29-/m1/s1
SMILES: CN([C@H]1CC(=NOCC2=CC=C(C=C2)[N+](=O)[O-])C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OCCN6CC6)OCC=C)CCCCO)CCCCO)C(=O)OCCOCC7=CC=CC=C7
InChI: InChI=1S/C49H62N4O11/c1-3-26-62-49-45(51(2)48(56)61-29-28-59-33-35-11-5-4-6-12-35)32-43(50-63-34-36-15-17-38(18-16-36)53(57)58)41-30-37(13-7-9-24-54)40(14-8-10-25-55)46(47(41)49)42-31-39(19-20-44(42)64-49)60-27-23-52-21-22-52/h3-6,11-12,15-20,30-31,37,40,45-47,54-55H,1,7-10,13-14,21-29,32-34H2,2H3/t37-,40+,45-,46+,47+,49+/m0/s1
SMILES: CC(=O)OC[C@@]1([C@H]([C@@H]([C@H]([C@@H](O1)Cl)OC(=O)C)OC(=O)C)OC(=O)C)Cl
InChI: InChI=1S/C14H18Cl2O9/c1-6(17)21-5-14(16)12(24-9(4)20)10(22-7(2)18)11(13(15)25-14)23-8(3)19/h10-13H,5H2,1-4H3/t10-,11-,12+,13-,14-/m1/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)NCC3=CC=C(C=C3)C(=O)OC
InChI: InChI=1S/C20H25N3O5/c1-13-5-3-4-10-20(13)18(26)23(19(27)22-20)12-16(24)21-11-14-6-8-15(9-7-14)17(25)28-2/h6-9,13H,3-5,10-12H2,1-2H3,(H,21,24)(H,22,27)/t13-,20+/m1/s1
SMILES: CC/C=C/C(CC)C/C(=C/[C@@]1(C[C@H]([C@@H](OO1)CC(=O)O)CC)CC)/C
InChI: InChI=1S/C21H36O4/c1-6-10-11-17(7-2)12-16(5)14-21(9-4)15-18(8-3)19(24-25-21)13-20(22)23/h10-11,14,17-19H,6-9,12-13,15H2,1-5H3,(H,22,23)/b11-10+,16-14+/t17?,18-,19+,21-/m1/s1
SMILES: C[C@H]1CC2C3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)OC)OC(=O)C5=CC=CO5)C)O)Cl)C)F
InChI: InChI=1S/C27H30ClFO7/c1-14-10-16-17-12-19(29)18-11-15(30)7-8-24(18,2)26(17,28)21(31)13-25(16,3)27(14,23(33)34-4)36-22(32)20-6-5-9-35-20/h5-9,11,14,16-17,19,21,31H,10,12-13H2,1-4H3/t14-,16?,17?,19-,21-,24-,25-,26-,27-/m0/s1
SMILES: COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)Cl
InChI: InChI=1S/C20H23ClN2O/c1-3-13-12-23-9-7-14(13)10-19(23)20(21)16-6-8-22-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1
SMILES: CCN(CC1=CC=CC=C1)C(=O)CN2C(=O)[C@@]3(CCCC[C@H]3C)NC2=O
InChI: InChI=1S/C20H27N3O3/c1-3-22(13-16-10-5-4-6-11-16)17(24)14-23-18(25)20(21-19(23)26)12-8-7-9-15(20)2/h4-6,10-11,15H,3,7-9,12-14H2,1-2H3,(H,21,26)/t15-,20+/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@@H]([C@H](OS(=O)(=O)O1)C)OC(O2)(C)C
InChI: InChI=1S/C9H16O6S/c1-5-7-8(13-9(3,4)12-7)6(2)15-16(10,11)14-5/h5-8H,1-4H3/t5-,6-,7-,8-/m1/s1
SMILES: CCOC(=O)N1C=C(N=C1)[C@H]2C[C@@H]([C@H](O2)CN3C(=O)C4=CC=CC=C4C3=O)O
InChI: InChI=1S/C19H19N3O6/c1-2-27-19(26)21-8-13(20-10-21)15-7-14(23)16(28-15)9-22-17(24)11-5-3-4-6-12(11)18(22)25/h3-6,8,10,14-16,23H,2,7,9H2,1H3/t14-,15+,16+/m0/s1
SMILES: CCOC1=CC=C(C=C1)OCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCC[C@@H]([C@@H]2C)C
InChI: InChI=1S/C21H31NO5/c1-5-25-17-9-11-18(12-10-17)26-13-20(23)27-16(4)21(24)22-19-8-6-7-14(2)15(19)3/h9-12,14-16,19H,5-8,13H2,1-4H3,(H,22,24)/t14-,15-,16-,19+/m0/s1
SMILES: C1CCC(C1)N2C(=O)[C@@H]3[C@@H](N[C@]4([C@@H]3C2=O)C5=CC=CC=C5NC4=O)CC6=CC=C(C=C6)O
InChI: InChI=1S/C25H25N3O4/c29-16-11-9-14(10-12-16)13-19-20-21(23(31)28(22(20)30)15-5-1-2-6-15)25(27-19)17-7-3-4-8-18(17)26-24(25)32/h3-4,7-12,15,19-21,27,29H,1-2,5-6,13H2,(H,26,32)/t19-,20+,21-,25-/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)CCCN2C(=O)COC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C25H27NO4/c27-23(26-16-6-10-18-7-4-5-11-22(18)26)17-30-25(29)21-14-12-20(13-15-21)24(28)19-8-2-1-3-9-19/h1-3,8-9,12-15,18,22H,4-7,10-11,16-17H2/t18-,22+/m1/s1
SMILES: C1[C@@H]([C@H](CN1)CN(CC2=CC=CC=C2)C3=CC=C(C=C3)Cl)CCC4=CC=CC=C4
InChI: InChI=1S/C26H29ClN2/c27-25-13-15-26(16-14-25)29(19-22-9-5-2-6-10-22)20-24-18-28-17-23(24)12-11-21-7-3-1-4-8-21/h1-10,13-16,23-24,28H,11-12,17-20H2/t23-,24+/m0/s1
SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)OP(=O)(O)O)O
InChI: InChI=1S/C18H26N6O15P2/c19-9-1-3-23(17(28)21-9)15-11(26)13(7(5-25)36-15)39-41(33,34)35-6-8-14(38-40(30,31)32)12(27)16(37-8)24-4-2-10(20)22-18(24)29/h1-4,7-8,11-16,25-27H,5-6H2,(H,33,34)(H2,19,21,28)(H2,20,22,29)(H2,30,31,32)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@@H](C(OC2=C1C(=C3C(=C2)OC4=C(C3=O)C=CC=C4OC)OC)(C)C)OC(=O)C
InChI: InChI=1S/C24H24O9/c1-11(25)30-22-18-16(33-24(3,4)23(22)31-12(2)26)10-15-17(21(18)29-6)19(27)13-8-7-9-14(28-5)20(13)32-15/h7-10,22-23H,1-6H3/t22-,23-/m0/s1
SMILES: CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)O[13C](=O)[13C@H](CO)C4=CC=CC=C4
InChI: InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11?,12-,13-,14+,15-,16+/m1/s1/i12+1,17+1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@@H]3C=C(C([C@@H]4[C@H]3O4)(OC)OC)NC(=O)OCC=C
InChI: InChI=1S/C28H35NO6Si/c1-7-18-33-26(30)29-23-19-22(24-25(34-24)28(23,31-5)32-6)35-36(27(2,3)4,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h7-17,19,22,24-25H,1,18H2,2-6H3,(H,29,30)/t22-,24+,25+/m1/s1
SMILES: CC1=CN(C(=O)N(C1=O)C(=O)C)[C@H]2C[C@]3([C@H](O2)COC(=O)C)OP(=O)([C@]4(C[C@@H](O[C@@H]4COC(=O)C)N5C=C(C(=O)N(C5=O)C(=O)C)C)OP3(=O)O)O
InChI: InChI=1S/C28H34N4O18P2/c1-13-9-29(25(39)31(15(3)33)23(13)37)21-7-27(19(47-21)11-45-17(5)35)49-52(43,44)28(50-51(27,41)42)8-22(48-20(28)12-46-18(6)36)30-10-14(2)24(38)32(16(4)34)26(30)40/h9-10,19-22H,7-8,11-12H2,1-6H3,(H,41,42)(H,43,44)/t19-,20-,21-,22-,27+,28+/m1/s1
SMILES: CN1C(=O)[C@@]2(CC3=CC=CC=C3N4[C@@H]2CN(CC4)C5=CC=CC=C5)C(=O)NC1=O
InChI: InChI=1S/C22H22N4O3/c1-24-20(28)22(19(27)23-21(24)29)13-15-7-5-6-10-17(15)26-12-11-25(14-18(22)26)16-8-3-2-4-9-16/h2-10,18H,11-14H2,1H3,(H,23,27,29)/t18-,22-/m1/s1
SMILES: CC(=O)O[C@]12[C@H]3[C@H]([C@@](C[C@@]3(C45[C@H](C[C@H]([C@@]6([C@H]4[C@H](C1C5N(C6)C)OC)COC)O)OC)O)([C@H]([C@@H]2O)OC)O)OC(=O)C7=CC=CC=C7
InChI: InChI=1S/C33H45NO12/c1-16(35)46-33-20-21(43-5)22-29(15-41-3)14-34(2)24(20)32(22,19(42-4)12-18(29)36)31(40)13-30(39,27(44-6)25(33)37)26(23(31)33)45-28(38)17-10-8-7-9-11-17/h7-11,18-27,36-37,39-40H,12-15H2,1-6H3/t18-,19+,20?,21+,22-,23+,24?,25+,26-,27+,29+,30+,31-,32?,33+/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@@H]([C@H]2C3=CC(=C(C=C3)Cl)Cl)C[NH3+].[Cl-]
InChI: InChI=1S/C14H17Cl2N.ClH/c15-12-4-3-10(6-13(12)16)14-9-2-1-8(5-9)11(14)7-17;/h3-4,6,8-9,11,14H,1-2,5,7,17H2;1H/t8-,9+,11+,14-;/m1./s1
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)O.CCCCCCCC(=O)O.C/C=C/C/C=C/CCC(=O)[C@@H]1[C@@H](O1)C(=O)N
InChI: InChI=1S/C18H34O2.C12H17NO3.C8H16O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15;1-2-3-4-5-6-7-8(9)10/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15);2-7H2,1H3,(H,9,10)/b10-9+;3-2+,6-5+;/t;10-,11-;/m.1./s1
SMILES: C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)N)NC(=O)[C@H](CCN)O)N)N
InChI: InChI=1S/C22H45N7O9/c23-4-3-12(31)20(34)29-11-5-10(26)18(37-21-9(25)2-1-8(6-24)35-21)17(33)19(11)38-22-15(28)14(27)16(32)13(7-30)36-22/h8-19,21-22,30-33H,1-7,23-28H2,(H,29,34)/t8-,9+,10-,11+,12-,13+,14+,15+,16+,17-,18+,19-,21+,22+/m0/s1
SMILES: [Li+].C[C@@H]1CC[C@H]([C@@H](C1)OC#[C-])C(C)(C)C2=CC=CC=C2
InChI: InChI=1S/C18H23O.Li/c1-5-19-17-13-14(2)11-12-16(17)18(3,4)15-9-7-6-8-10-15;/h6-10,14,16-17H,11-13H2,2-4H3;/q-1;+1/t14-,16-,17-;/m1./s1
SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)NC[C@@]23C=C[C@@H](O2)[C@@H]4[C@@H]3C(=O)N(C4=O)C5=CC=C(C=C5)Cl)C
InChI: InChI=1S/C24H23ClN2O5S/c1-13-10-14(2)21(15(3)11-13)33(30,31)26-12-24-9-8-18(32-24)19-20(24)23(29)27(22(19)28)17-6-4-16(25)5-7-17/h4-11,18-20,26H,12H2,1-3H3/t18-,19-,20-,24-/m1/s1
SMILES: C[C@H](CCC(=O)[O-])[C@@H]1CC[C@H]2[C@@]1(C(=O)C[C@@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CCC(=O)C4)C)C
InChI: InChI=1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/p-1/t13-,14+,16+,17-,18-,22+,23+,24-/m1/s1
SMILES: C[NH+]1CC[NH+](CC1)CC(=O)N2[C@H]([C@@H]3CCC4=CC=CC=C4C3=N2)C5=CC=C(C=C5)OC
InChI: InChI=1S/C25H30N4O2/c1-27-13-15-28(16-14-27)17-23(30)29-25(19-7-10-20(31-2)11-8-19)22-12-9-18-5-3-4-6-21(18)24(22)26-29/h3-8,10-11,22,25H,9,12-17H2,1-2H3/p+2/t22-,25+/m1/s1
SMILES: CCC1=NN(N=C1)[C@H]2C[C@H]([C@@H]([C@@H]2O)O)N3C=NC4=C(N=C(N=C43)N5CC[C@@H](C5)NC(=O)NC6=CC=NC=C6)NCC(C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C38H42N12O3/c1-2-26-20-42-50(47-26)31-19-30(33(51)34(31)52)49-23-41-32-35(40-21-29(24-9-5-3-6-10-24)25-11-7-4-8-12-25)45-37(46-36(32)49)48-18-15-28(22-48)44-38(53)43-27-13-16-39-17-14-27/h3-14,16-17,20,23,28-31,33-34,51-52H,2,15,18-19,21-22H2,1H3,(H,40,45,46)(H2,39,43,44,53)/t28-,30+,31-,33-,34+/m0/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H]([C@@H]3C=CC4=CC=CC=C4N3[C@H]2C(=O)C5=CC=CC=C5)[N+](=O)[O-]
InChI: InChI=1S/C25H20N2O3/c28-25(19-12-5-2-6-13-19)24-22(18-10-3-1-4-11-18)23(27(29)30)21-16-15-17-9-7-8-14-20(17)26(21)24/h1-16,21-24H/t21-,22+,23-,24+/m0/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@@H]([C@@H](C3=CC=CC=C3O2)O)[N+](=O)[O-]
InChI: InChI=1S/C15H13NO4/c17-14-11-8-4-5-9-12(11)20-15(13(14)16(18)19)10-6-2-1-3-7-10/h1-9,13-15,17H/t13-,14-,15+/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)NNC(=O)C3=CC(=CC=C3)Cl
InChI: InChI=1S/C18H20ClN3O4/c19-12-5-3-4-11(10-12)16(24)21-20-15(23)8-9-22-17(25)13-6-1-2-7-14(13)18(22)26/h3-5,10,13-14H,1-2,6-9H2,(H,20,23)(H,21,24)/t13-,14-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)[S@](=O)CCC#N)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C17H23NO10S/c1-9(19)24-8-13-14(25-10(2)20)15(26-11(3)21)16(27-12(4)22)17(28-13)29(23)7-5-6-18/h13-17H,5,7-8H2,1-4H3/t13-,14-,15+,16-,17-,29-/m1/s1
SMILES: COC1=CC=CC(=C1)NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O
InChI: InChI=1S/C18H22N2O4/c1-24-13-6-4-5-12(11-13)19-16(21)9-10-20-17(22)14-7-2-3-8-15(14)18(20)23/h4-6,11,14-15H,2-3,7-10H2,1H3,(H,19,21)/t14-,15-/m1/s1
SMILES: CC(C)CCCC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2CC[C@@H]4[C@@]3(C[C@@H]5[C@H](C4)O5)C)C
InChI: InChI=1S/C27H46O/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-24-25(28-24)16-27(19,5)23(20)13-14-26(21,22)4/h17-25H,6-16H2,1-5H3/t18?,19-,20?,21+,22-,23-,24-,25+,26+,27-/m0/s1
SMILES: COC1[C@@H]([C@H](C([C@@H]([C@@H]1O)O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)N=[N+]=[N-])O)O
InChI: InChI=1S/C34H41N3O10/c1-42-32-26(38)28(40)33(29(41)27(32)39)47-34-25(36-37-35)31(45-19-23-15-9-4-10-16-23)30(44-18-22-13-7-3-8-14-22)24(46-34)20-43-17-21-11-5-2-6-12-21/h2-16,24-34,38-41H,17-20H2,1H3/t24-,25-,26-,27+,28-,29-,30+,31-,32?,33?,34-/m1/s1
SMILES: C[C@@]1(CC[C@@H]2[C@@H]1[C@H]3[C@H](C3(C)C)CCC2=C)O
InChI: InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h10-13,16H,1,5-8H2,2-4H3/t10-,11+,12+,13+,15-/m0/s1
SMILES: CCCCC(=O)N1[C@@H]([C@@H]2C(=O)CC(C=C2NC3=CC=CC=C31)(C)C)C4=CC=CS4
InChI: InChI=1S/C24H28N2O2S/c1-4-5-12-21(28)26-18-10-7-6-9-16(18)25-17-14-24(2,3)15-19(27)22(17)23(26)20-11-8-13-29-20/h6-11,13-14,22-23,25H,4-5,12,15H2,1-3H3/t22-,23+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1[C@@H]2C(=O)C=C[C@H](O1)O2
InChI: InChI=1S/C13H22O4Si/c1-13(2,3)18(4,5)15-8-10-12-9(14)6-7-11(16-10)17-12/h6-7,10-12H,8H2,1-5H3/t10-,11+,12-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CN2[Si](CC[Si]2(C)C)(C)C)C(C)C
InChI: InChI=1S/C18H37NO2Si2/c1-14(2)16-9-8-15(3)12-17(16)21-18(20)13-19-22(4,5)10-11-23(19,6)7/h14-17H,8-13H2,1-7H3/t15-,16+,17-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]2CCC[C@@H]2C3=CC=CN3C
InChI: InChI=1S/C18H29N3O/c1-14-7-3-4-8-15(14)19-18(22)13-21-12-6-10-17(21)16-9-5-11-20(16)2/h5,9,11,14-15,17H,3-4,6-8,10,12-13H2,1-2H3,(H,19,22)/p+1/t14-,15+,17-/m1/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@@H](NC3=C2C4=CC=CC=C4C=C3)C5=C(C=CC=C5Cl)Cl
InChI: InChI=1S/C22H17Cl2N/c23-17-9-4-10-18(24)21(17)22-16-8-3-7-15(16)20-14-6-2-1-5-13(14)11-12-19(20)25-22/h1-7,9-12,15-16,22,25H,8H2/t15-,16+,22+/m0/s1
SMILES: CC[C@]1([C@]2([C@@]1(C(N=C2N)(OCC)OCC)C#N)C#N)C3=CC=CC=C3
InChI: InChI=1S/C19H22N4O2/c1-4-16(14-10-8-7-9-11-14)17(12-20)15(22)23-19(24-5-2,25-6-3)18(16,17)13-21/h7-11H,4-6H2,1-3H3,(H2,22,23)/t16-,17+,18-/m1/s1
SMILES: C1=CC=C2C(=C1)C3[C@H]4[C@H](C2(C5=CC=CC=C35)Br)C(=O)N(C4=O)C6=CC=C(C=C6)CC7=CC=NC=C7
InChI: InChI=1S/C30H21BrN2O2/c31-30-23-7-3-1-5-21(23)25(22-6-2-4-8-24(22)30)26-27(30)29(35)33(28(26)34)20-11-9-18(10-12-20)17-19-13-15-32-16-14-19/h1-16,25-27H,17H2/t25?,26-,27-,30?/m0/s1
SMILES: COC(=O)/C=C\CC[C@@H]1CCCC[C@H]1OC(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C25H28Cl2O3/c1-29-24(28)9-5-3-7-18-6-2-4-8-23(18)30-25(19-10-14-21(26)15-11-19)20-12-16-22(27)17-13-20/h5,9-18,23,25H,2-4,6-8H2,1H3/b9-5-/t18-,23+/m0/s1
SMILES: C[C@@H]1CO[C@@]23[C@H]1[C@H]([C@@H]4[C@H](CO[C@]4(O2)CC3)COCC5=CC=CC=C5)C
InChI: InChI=1S/C21H28O4/c1-14-10-23-20-8-9-21(25-20)19(15(2)18(14)20)17(13-24-21)12-22-11-16-6-4-3-5-7-16/h3-7,14-15,17-19H,8-13H2,1-2H3/t14-,15-,17+,18-,19-,20-,21+/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4OC(=O)C)C)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C29H48O5Si/c1-19(30)33-22-13-16-29(18-32-35(7,8)27(3,4)5)21(17-22)9-10-23-24-11-12-26(34-20(2)31)28(24,6)15-14-25(23)29/h9,22-26H,10-18H2,1-8H3/t22-,23-,24-,25-,26-,28-,29+/m0/s1
SMILES: CCCCCCCCC(CC)CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O
InChI: InChI=1S/C24H46O11/c1-3-5-6-7-8-9-10-14(4-2)12-32-23-22(31)20(29)18(27)16(35-23)13-33-24-21(30)19(28)17(26)15(11-25)34-24/h14-31H,3-13H2,1-2H3/t14?,15-,16-,17+,18-,19+,20+,21-,22-,23+,24+/m1/s1
SMILES: CCCCCCCCCCCC(=O)N(CC1=CC=C(C=C1)F)[C@H]2CC(=NOCC3=CC=CC=C3)C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]2(OC6=C5C=C(C=C6)OC7=CC=CC(=C7)C=O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C60H75FN2O8/c1-3-5-6-7-8-9-10-11-15-27-57(67)63(41-44-28-30-48(61)31-29-44)56-40-54(62-69-43-45-21-13-12-14-22-45)52-38-47(24-16-18-34-64)51(26-17-19-35-65)58-53-39-50(70-49-25-20-23-46(37-49)42-66)32-33-55(53)71-60(56,59(52)58)68-36-4-2/h4,12-14,20-23,25,28-33,37-39,42,47,51,56,58-59,64-65H,2-3,5-11,15-19,24,26-27,34-36,40-41,43H2,1H3/t47-,51+,56-,58+,59+,60+/m0/s1
SMILES: CCCCCCCCCCCCCCCC(=O)NC1=CC=CC(=C1)C2O[C@@H]([C@H]([C@@H](O2)C3=CC=C(C=C3)CO)C4=CC=CC=C4)CSC5=CC=C(C=C5)O
InChI: InChI=1S/C46H59NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-23-43(50)47-39-22-18-21-38(32-39)46-51-42(34-53-41-30-28-40(49)29-31-41)44(36-19-15-14-16-20-36)45(52-46)37-26-24-35(33-48)25-27-37/h14-16,18-22,24-32,42,44-46,48-49H,2-13,17,23,33-34H2,1H3,(H,47,50)/t42-,44-,45+,46?/m1/s1
SMILES: CC1=C2[C@@H](C[C@H]1C3=COC=C3)O[C@H]4[C@@]2([C@@H]([C@]5([C@@H](CC(=O)[C@@]6(C5[C@H]4OC6)C)OC(=O)C)C)CCOC(=O)C)C
InChI: InChI=1S/C30H38O8/c1-15-19(18-7-9-34-13-18)11-20-24(15)30(6)21(8-10-35-16(2)31)29(5)23(37-17(3)32)12-22(33)28(4)14-36-25(26(28)29)27(30)38-20/h7,9,13,19-21,23,25-27H,8,10-12,14H2,1-6H3/t19-,20-,21-,23-,25-,26?,27-,28-,29+,30-/m1/s1
SMILES: CC(C)C([C@@H]1[C@H](CC(=O)N1CC2=CC=CC=C2)OCC3=CC=CC=C3)O
InChI: InChI=1S/C22H27NO3/c1-16(2)22(25)21-19(26-15-18-11-7-4-8-12-18)13-20(24)23(21)14-17-9-5-3-6-10-17/h3-12,16,19,21-22,25H,13-15H2,1-2H3/t19-,21-,22?/m0/s1
SMILES: COC1=C(C=C(C=C1)[C@H]2[C@@H]3CCCC[C@@]3(CC[NH+]2CC(=O)N4CCCC4)O)OC
InChI: InChI=1S/C23H34N2O4/c1-28-19-9-8-17(15-20(19)29-2)22-18-7-3-4-10-23(18,27)11-14-25(22)16-21(26)24-12-5-6-13-24/h8-9,15,18,22,27H,3-7,10-14,16H2,1-2H3/p+1/t18-,22-,23-/m0/s1
SMILES: C[C@H]1C(=O)OC(C[C@@]1(C)O)[C@@](C)([C@]2(CCC3[C@@]2(CCC4C3C[C@@H]5C6([C@@]4(C(=O)C=C[C@@H]6O)C)O5)C)O)O
InChI: InChI=1S/C28H40O8/c1-14-22(31)35-21(13-24(14,3)32)26(5,33)27(34)11-9-16-15-12-20-28(36-20)19(30)7-6-18(29)25(28,4)17(15)8-10-23(16,27)2/h6-7,14-17,19-21,30,32-34H,8-13H2,1-5H3/t14-,15?,16?,17?,19-,20+,21?,23-,24+,25-,26-,27+,28?/m0/s1
SMILES: C[C@@]12CCCC(=C)[C@H]1C[C@@H]3[C@@H](C2)OC(=O)[C@H]3C[NH+]4CCC5(CC4)OCCO5
InChI: InChI=1S/C22H33NO4/c1-15-4-3-5-21(2)13-19-16(12-18(15)21)17(20(24)27-19)14-23-8-6-22(7-9-23)25-10-11-26-22/h16-19H,1,3-14H2,2H3/p+1/t16-,17-,18+,19+,21-/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@H](C2=O)Br)OCC3=CC=CC=C3)O)OCC4=CC=CC=C4
InChI: InChI=1S/C28H29BrO5/c29-24-25(30)23(19-32-16-20-10-4-1-5-11-20)27(33-17-21-12-6-2-7-13-21)26(31)28(24)34-18-22-14-8-3-9-15-22/h1-15,23-24,26-28,31H,16-19H2/t23-,24-,26-,27+,28-/m0/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@@H](C2(Cl)Cl)/C=N\NC(=O)C3=CC=CC=C3Br
InChI: InChI=1S/C17H13BrCl2N2O/c18-14-9-5-4-8-12(14)16(23)22-21-10-13-15(17(13,19)20)11-6-2-1-3-7-11/h1-10,13,15H,(H,22,23)/b21-10-/t13-,15+/m0/s1
SMILES: [B]([C@@H]1[C@H](CC[C@@H]2[C@H]1C2(C)C)C)[C@@H]3[C@H](CC[C@@H]4[C@H]3C4(C)C)C
InChI: InChI=1S/C20H34B/c1-11-7-9-13-15(19(13,3)4)17(11)21-18-12(2)8-10-14-16(18)20(14,5)6/h11-18H,7-10H2,1-6H3/t11-,12-,13+,14+,15+,16+,17+,18+/m0/s1
SMILES: CN1C[C@@H]2C3=CC=CC=C3O[C@H]([C@@]2(O1)[N+](=O)[O-])C4=CC=CC=C4
InChI: InChI=1S/C17H16N2O4/c1-18-11-14-13-9-5-6-10-15(13)22-16(12-7-3-2-4-8-12)17(14,23-18)19(20)21/h2-10,14,16H,11H2,1H3/t14-,16+,17-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=O)N(C2=O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)F
InChI: InChI=1S/C25H27FN2O13S/c1-12-6-8-17(9-7-12)42(35,36)27-10-18(26)23(33)28(25(27)34)24-22(40-16(5)32)21(39-15(4)31)20(38-14(3)30)19(41-24)11-37-13(2)29/h6-10,19-22,24H,11H2,1-5H3/t19-,20-,21+,22-,24-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OCC2=CC=CC=C2)O
InChI: InChI=1S/C18H25NO9/c1-10(21)19-14-12(22)7-18(17(25)26,27-9-11-5-3-2-4-6-11)28-16(14)15(24)13(23)8-20/h2-6,12-16,20,22-24H,7-9H2,1H3,(H,19,21)(H,25,26)/t12-,13+,14+,15+,16+,18+/m0/s1
SMILES: C1CC[C@]2([C@@H]3C[C@H]4COC[C@]4(O3)[C@@H](C1)C2=O)O
InChI: InChI=1S/C13H18O4/c14-11-9-3-1-2-4-12(11,15)10-5-8-6-16-7-13(8,9)17-10/h8-10,15H,1-7H2/t8-,9-,10-,12+,13+/m0/s1
SMILES: C[C@@]12CC[C@H]3[C@]([C@@]14[C@H](O4)C(=O)O[C@H]2C5=COC=C5)(C(=O)C[C@H]([C@@]36COC(=O)C[C@@H]6O)C(C)(C)O)C
InChI: InChI=1S/C26H32O9/c1-22(2,31)15-9-16(27)24(4)14(25(15)12-33-18(29)10-17(25)28)5-7-23(3)19(13-6-8-32-11-13)34-21(30)20-26(23,24)35-20/h6,8,11,14-15,17,19-20,28,31H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1
SMILES: C1=CC=C(C=C1)CO[C@H]2[C@@H]([C@H](O[C@@H]2OCC3=CC=CC=C3)CO)O
InChI: InChI=1S/C19H22O5/c20-11-16-17(21)18(22-12-14-7-3-1-4-8-14)19(24-16)23-13-15-9-5-2-6-10-15/h1-10,16-21H,11-13H2/t16-,17-,18+,19+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2([C@H]([C@H]2C(=O)C3=CC=CC=C3)[C@@H]([Si](C)(C)C)[Se]C4=CC=CC=C4)C(=O)O[C@@H]5C[C@@H](CC[C@H]5C(C)C)C)C(C)C
InChI: InChI=1S/C42H60O5SeSi/c1-26(2)32-22-20-28(5)24-34(32)46-40(44)42(41(45)47-35-25-29(6)21-23-33(35)27(3)4)36(38(43)30-16-12-10-13-17-30)37(42)39(49(7,8)9)48-31-18-14-11-15-19-31/h10-19,26-29,32-37,39H,20-25H2,1-9H3/t28-,29-,32+,33+,34-,35-,36+,37-,39-/m1/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)CN6CCC[C@H]6CN7CCCC7
InChI: InChI=1S/C42H44F5N3O4/c1-25-33(23-50-18-6-11-32(50)22-49-16-2-3-17-49)53-42(54-40(25)28-14-12-26(24-51)13-15-28)31-10-5-9-30(20-31)29-8-4-7-27(19-29)21-48-41(52)34-35(43)37(45)39(47)38(46)36(34)44/h4-5,7-10,12-15,19-20,25,32-33,40,42,51H,2-3,6,11,16-18,21-24H2,1H3,(H,48,52)/t25-,32-,33+,40+,42+/m0/s1
SMILES: CCOC(=O)CNC(=O)NC1=CC=C(C=C1)[C@H]2O[C@H]([C@H]([C@H](O2)C3=CC=C(C=C3)CO)C)CSC4=NN=CN4C
InChI: InChI=1S/C27H33N5O6S/c1-4-36-23(34)13-28-26(35)30-21-11-9-20(10-12-21)25-37-22(15-39-27-31-29-16-32(27)3)17(2)24(38-25)19-7-5-18(14-33)6-8-19/h5-12,16-17,22,24-25,33H,4,13-15H2,1-3H3,(H2,28,30,35)/t17-,22+,24+,25+/m1/s1
SMILES: C[C@@H]1C[C@H]([C@H](C2=C1N(C3=CC=CC=C32)COCC[Si](C)(C)C)C#N)C(=O)OC
InChI: InChI=1S/C22H30N2O3Si/c1-15-12-17(22(25)26-2)18(13-23)20-16-8-6-7-9-19(16)24(21(15)20)14-27-10-11-28(3,4)5/h6-9,15,17-18H,10-12,14H2,1-5H3/t15-,17-,18-/m1/s1
SMILES: C1CC[C@H]([C@@H](C1)N)N=C[C@H]2C(=O)NC(=O)N(C2=O)CC3=CC=CO3
InChI: InChI=1S/C16H20N4O4/c17-12-5-1-2-6-13(12)18-8-11-14(21)19-16(23)20(15(11)22)9-10-4-3-7-24-10/h3-4,7-8,11-13H,1-2,5-6,9,17H2,(H,19,21,23)/t11-,12+,13+/m0/s1
SMILES: C[C@H]([C@H]1CC[C@]2([C@@]1(C[C@H]([C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(C(=O)C[C@@H](C4)[Si](C)(C)C5=CC=CC=C5)COC(=O)C)OC(=O)C)C(=O)OC)O)OC
InChI: InChI=1S/C35H48O10Si/c1-20(42-4)26-13-14-35(41)30-27(38)16-23-15-25(46(6,7)24-11-9-8-10-12-24)17-29(39)33(23,19-44-21(2)36)31(30)28(45-22(3)37)18-34(26,35)32(40)43-5/h8-12,20,23,25-26,28,30-31,41H,13-19H2,1-7H3/t20-,23+,25-,26-,28-,30-,31+,33-,34-,35+/m1/s1
SMILES: C1CCC(CC1)C(C2CCCCC2)OC(=O)[C@H]3C[C@@H]3C4=CC=CC=C4
InChI: InChI=1S/C23H32O2/c24-23(21-16-20(21)17-10-4-1-5-11-17)25-22(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1,4-5,10-11,18-22H,2-3,6-9,12-16H2/t20-,21+/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H]3[C@H]([C@@H]([C@H](O3)C4=CC=CC=C4)O)O
InChI: InChI=1S/C27H32O4Si/c1-27(2,3)32(21-15-9-5-10-16-21,22-17-11-6-12-18-22)30-19-23-24(28)25(29)26(31-23)20-13-7-4-8-14-20/h4-18,23-26,28-29H,19H2,1-3H3/t23-,24+,25-,26+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=C(C=C34)S(=O)(=O)C)O
InChI: InChI=1S/C19H24O4S/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(10-14(11)12)24(2,22)23/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1
SMILES: CC[C@@H]1[C@H]([N+]2([C@H]3CC1C4[C@@H]2CC5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4O)CC=C)O.[Br-]
InChI: InChI=1S/C23H31N2O2.BrH/c1-4-10-25-17-11-14(13(5-2)22(25)27)19-18(25)12-23(21(19)26)15-8-6-7-9-16(15)24(3)20(17)23;/h4,6-9,13-14,17-22,26-27H,1,5,10-12H2,2-3H3;1H/q+1;/p-1/t13-,14?,17-,18-,19?,20-,21+,22+,23?,25?;/m0./s1
SMILES: CCCS(=O)(=O)N(CCN1C[C@@H]([C@H]([C@@H]1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4)CC(C)C
InChI: InChI=1S/C28H38N2O7S/c1-5-14-38(33,34)30(16-19(2)3)13-12-29-17-23(21-8-11-24-25(15-21)37-18-36-24)26(28(31)32)27(29)20-6-9-22(35-4)10-7-20/h6-11,15,19,23,26-27H,5,12-14,16-18H2,1-4H3,(H,31,32)/t23-,26-,27+/m1/s1
SMILES: CC[C@@]12C=C([C@@H]3[C@H]([C@@H](C4=CC(=O)C=C([C@]34O)N1C(=O)[C@](C2=O)(C)O)O[C@H]5CC[C@H]([C@H](O5)C)O)C)C
InChI: InChI=1S/C26H33NO8/c1-6-25-11-12(2)20-13(3)21(35-19-8-7-17(29)14(4)34-19)16-9-15(28)10-18(26(16,20)33)27(25)23(31)24(5,32)22(25)30/h9-11,13-14,17,19-21,29,32-33H,6-8H2,1-5H3/t13-,14-,17-,19+,20-,21+,24-,25+,26+/m1/s1
SMILES: C[C@]12C[C@@H]3[C@H](C[C@@H]([C@H](O3)CCCO)O)O[C@@H]1CCCO2
InChI: InChI=1S/C15H26O5/c1-15-9-13-12(20-14(15)5-3-7-18-15)8-10(17)11(19-13)4-2-6-16/h10-14,16-17H,2-9H2,1H3/t10-,11+,12-,13+,14+,15-/m0/s1