EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=CNC(=C1C(=O)O[C@H](C)C2=CC[C@@]34[C@@]2(C[C@H]([C@@]56C3=CC[C@H]7[C@@]5(CC[C@@](C7)(O6)O)C)O)CN(CCO4)C)C
InChI: InChI=1S/C31H42N2O6/c1-18-16-32-19(2)25(18)26(35)38-20(3)22-8-9-30-23-7-6-21-14-29(36)11-10-27(21,4)31(23,39-29)24(34)15-28(22,30)17-33(5)12-13-37-30/h7-8,16,20-21,24,32,34,36H,6,9-15,17H2,1-5H3/t20-,21-,24-,27+,28+,29+,30+,31+/m1/s1
SMILES: CC1([C@@H](NC(S1)CN)C(=O)NCCN2C[C@@H]3CCCC[C@@H]3CC2CO)C
InChI: InChI=1S/C19H36N4O2S/c1-19(2)17(22-16(10-20)26-19)18(25)21-7-8-23-11-14-6-4-3-5-13(14)9-15(23)12-24/h13-17,22,24H,3-12,20H2,1-2H3,(H,21,25)/t13-,14+,15?,16?,17+/m1/s1
SMILES: CC(=O)C12C3=C([C@@](C(=N3)CC4=C(C(=C(N4)CC5=C([C@](C(=N5)/C=C(\N1)/[C@H]([C@]2(C)CC(=O)O)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)(C)CCC(=O)O)CC(=O)O
InChI: InChI=1S/C44H52N4O17/c1-20(49)44-40-25(14-37(60)61)41(2,12-11-35(56)57)30(47-40)16-27-21(5-8-32(50)51)22(13-36(58)59)26(45-27)15-28-23(6-9-33(52)53)42(3,18-38(62)63)31(46-28)17-29(48-44)24(7-10-34(54)55)43(44,4)19-39(64)65/h17,24,45,48H,5-16,18-19H2,1-4H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65)/b29-17-/t24-,41-,42+,43+,44?/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]
InChI: InChI=1S/C14H17ClN2O3/c1-9-4-2-3-5-12(9)16-14(18)11-7-6-10(15)8-13(11)17(19)20/h6-9,12H,2-5H2,1H3,(H,16,18)/t9-,12-/m1/s1
SMILES: C1C[C@H]2[C@@H](C=C1)OC(=O)C2=C(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C21H18O2/c22-21-20(17-13-7-8-14-18(17)23-21)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,8-12,14,17-18H,7,13H2/t17-,18+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C=C(N=N2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C24H28N4O13S/c1-12(29)36-11-19-20(38-13(2)30)21(39-14(3)31)22(40-15(4)32)23(41-19)28-9-17(26-27-28)10-37-24(33)16-5-7-18(8-6-16)42(25,34)35/h5-9,19-23H,10-11H2,1-4H3,(H2,25,34,35)/t19-,20-,21+,22-,23-/m1/s1
SMILES: C[C@@H]1C[C@@]2(CC(=O)O[C@@H]3CCN4[C@@H]3C(=CC4)COC(=O)[C@@]1(O2)C)C
InChI: InChI=1S/C18H25NO5/c1-11-8-17(2)9-14(20)23-13-5-7-19-6-4-12(15(13)19)10-22-16(21)18(11,3)24-17/h4,11,13,15H,5-10H2,1-3H3/t11-,13-,15-,17-,18-/m1/s1
SMILES: C1CN(CC[NH+]1CCN2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H]3C2=O)C=C4)C(=O)C5=C(C6=CC=CC=C6S5)Cl
InChI: InChI=1S/C24H24ClN3O3S/c25-20-16-3-1-2-4-17(16)32-21(20)24(31)27-10-7-26(8-11-27)9-12-28-22(29)18-14-5-6-15(13-14)19(18)23(28)30/h1-6,14-15,18-19H,7-13H2/p+1/t14-,15+,18-,19-/m0/s1
SMILES: COC1=CC=CC=C1[C@H]2[C@H](C(=C)NC(=O)N2)C(=O)NC3=CC=CC=C3OC
InChI: InChI=1S/C20H21N3O4/c1-12-17(19(24)22-14-9-5-7-11-16(14)27-3)18(23-20(25)21-12)13-8-4-6-10-15(13)26-2/h4-11,17-18H,1H2,2-3H3,(H,22,24)(H2,21,23,25)/t17-,18-/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@@H](O2)N3C=NC4=C3N=C(N=C4Cl)N)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C31H30ClN5O4/c32-28-25-29(36-31(33)35-28)37(20-34-25)30-27(40-18-23-14-8-3-9-15-23)26(39-17-22-12-6-2-7-13-22)24(41-30)19-38-16-21-10-4-1-5-11-21/h1-15,20,24,26-27,30H,16-19H2,(H2,33,35,36)/t24-,26-,27+,30-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H]3CCCC[C@@]3(CCN2C(=O)C4=CC(=CC=C4)F)O
InChI: InChI=1S/C23H26FNO3/c1-28-19-10-8-16(9-11-19)21-20-7-2-3-12-23(20,27)13-14-25(21)22(26)17-5-4-6-18(24)15-17/h4-6,8-11,15,20-21,27H,2-3,7,12-14H2,1H3/t20-,21-,23+/m1/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)O
InChI: InChI=1S/C36H31NO6/c1-19-15-22(16-20(2)32(19)39)31-24-13-14-25-30(35(42)37(43)34(25)41)27(24)17-28-33(40)26(21-9-5-3-6-10-21)18-29(38)36(28,31)23-11-7-4-8-12-23/h3-13,15-16,18,25,27-28,30-31,39,43H,14,17H2,1-2H3/t25-,27+,28-,30-,31-,36-/m0/s1
SMILES: C/C(=C\[Sn](C)(C)C)/[C@@H]1C=C[C@@H]([C@H](O1)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C21H41O3Si2.3CH3.Sn/c1-16(2)17-13-14-18(24-26(11,12)21(6,7)8)19(23-17)15-22-25(9,10)20(3,4)5;;;;/h1,13-14,17-19H,15H2,2-12H3;3*1H3;/t17-,18-,19+;;;;/m0..../s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)NC(=O)COC(=O)C2=NN3C(=CC(=NC3=N2)C)C
InChI: InChI=1S/C18H25N5O3/c1-10-6-5-7-14(13(10)4)20-15(24)9-26-17(25)16-21-18-19-11(2)8-12(3)23(18)22-16/h8,10,13-14H,5-7,9H2,1-4H3,(H,20,24)/t10-,13-,14-/m0/s1
SMILES: C[C@@H](C(=O)OCC(=O)NC(=O)NC1=CC=CC=C1F)N2C(=O)[C@@H]3CCCC[C@H]3C2=O
InChI: InChI=1S/C20H22FN3O6/c1-11(24-17(26)12-6-2-3-7-13(12)18(24)27)19(28)30-10-16(25)23-20(29)22-15-9-5-4-8-14(15)21/h4-5,8-9,11-13H,2-3,6-7,10H2,1H3,(H2,22,23,25,29)/t11-,12+,13+/m0/s1
SMILES: C[C@]12CCC[C@@]([C@@H]1C[C@@H](CC2)C(C)(C)O)(C)OC3=C(C=C(C=C3)CC=C)C4=C(C=CC(=C4)CC=C)O
InChI: InChI=1S/C33H44O3/c1-7-10-23-12-14-28(34)26(20-23)27-21-24(11-8-2)13-15-29(27)36-33(6)18-9-17-32(5)19-16-25(22-30(32)33)31(3,4)35/h7-8,12-15,20-21,25,30,34-35H,1-2,9-11,16-19,22H2,3-6H3/t25-,30-,32-,33-/m1/s1
SMILES: COC(=O)[C@@H]([C@@H]1[C@H]([C@@H](C(=O)O1)O)O)OC(=O)C2=CC(=C(C(=C2)O)O)O
InChI: InChI=1S/C14H14O11/c1-23-14(22)11(10-8(18)9(19)13(21)24-10)25-12(20)4-2-5(15)7(17)6(16)3-4/h2-3,8-11,15-19H,1H3/t8-,9-,10-,11+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=C(C=C(C=C2)SC)OC
InChI: InChI=1S/C19H27NO4S/c1-12-7-5-6-8-16(12)20-18(21)13(2)24-19(22)15-10-9-14(25-4)11-17(15)23-3/h9-13,16H,5-8H2,1-4H3,(H,20,21)/t12-,13+,16+/m0/s1
SMILES: CCCCCC1CCC(NCC1)C(=O)NC([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)C(C)Cl
InChI: InChI=1S/C21H39ClN2O5S/c1-4-5-6-7-13-8-9-14(23-11-10-13)20(28)24-15(12(2)22)19-17(26)16(25)18(27)21(29-19)30-3/h12-19,21,23,25-27H,4-11H2,1-3H3,(H,24,28)/t12?,13?,14?,15?,16-,17+,18+,19+,21+/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@H](C(O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)C#CC5=CC(=CC=C5)C#CC6[C@@H]([C@@H]7CC[C@H]([C@H]8[C@]79[C@H](O6)O[C@@](CC8)(OO9)C)C)C)C
InChI: InChI=1S/C40H50O8/c1-23-10-14-31-25(3)33(41-35-39(31)29(23)18-20-37(5,43-35)45-47-39)16-12-27-8-7-9-28(22-27)13-17-34-26(4)32-15-11-24(2)30-19-21-38(6)44-36(42-34)40(30,32)48-46-38/h7-9,22-26,29-36H,10-11,14-15,18-21H2,1-6H3/t23-,24-,25-,26-,29+,30+,31+,32+,33?,34?,35-,36-,37-,38-,39-,40-/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)[C@](N[C@@H]3C4=CC=C(C=C4)O)(C)C(=O)OC
InChI: InChI=1S/C22H22N2O5/c1-12-4-8-14(9-5-12)24-19(26)16-17(20(24)27)22(2,21(28)29-3)23-18(16)13-6-10-15(25)11-7-13/h4-11,16-18,23,25H,1-3H3/t16-,17+,18-,22-/m1/s1
SMILES: C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)OC(=O)C
InChI: InChI=1S/C25H40O4/c1-15(28-16(2)26)21-8-9-22-20-7-6-18-14-19(29-17(3)27)10-12-24(18,4)23(20)11-13-25(21,22)5/h15,18-23H,6-14H2,1-5H3/t15-,18+,19+,20+,21-,22+,23+,24+,25-/m1/s1
SMILES: C1C=C[C@H]2[C@H]1[C@H](NC3=C2C(=CC(=C3)Cl)Cl)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C18H14Cl2N2O2/c19-11-8-15(20)17-13-2-1-3-14(13)18(21-16(17)9-11)10-4-6-12(7-5-10)22(23)24/h1-2,4-9,13-14,18,21H,3H2/t13-,14-,18+/m0/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)NCC2=CC=C(C=C2)I)C3=CC=CC=C3)CCCO
InChI: InChI=1S/C24H28INO4/c1-2-29-24-20(9-6-14-27)21(18-7-4-3-5-8-18)15-22(30-24)23(28)26-16-17-10-12-19(25)13-11-17/h3-5,7-8,10-13,15,20-21,24,27H,2,6,9,14,16H2,1H3,(H,26,28)/t20-,21+,24+/m1/s1
SMILES: CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O.C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O
InChI: InChI=1S/C17H21NO3.C6H10O8/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17;7-1(3(9)5(11)12)2(8)4(10)6(13)14/h3-6,12,14,19H,7-10H2,1-2H3;1-4,7-10H,(H,11,12)(H,13,14)/t12-,14-,17-;/m0./s1
SMILES: C1=CSC(=C1)C(=O)[C@@H]2[C@@H](NC(=S)N[C@@]2(C(F)(F)F)O)C3=CC=C(C=C3)O
InChI: InChI=1S/C16H13F3N2O3S2/c17-16(18,19)15(24)11(13(23)10-2-1-7-26-10)12(20-14(25)21-15)8-3-5-9(22)6-4-8/h1-7,11-12,22,24H,(H2,20,21,25)/t11-,12-,15+/m0/s1
SMILES: COC1=CC=C(C=C1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)CC4=CC=CC=C4)C/C=C/C5=CC=CC=C5
InChI: InChI=1S/C32H30N2O5S/c1-38-26-17-15-24(16-18-26)20-39-32(37)29-25(14-8-13-22-9-4-2-5-10-22)21-40-31-28(30(36)34(29)31)33-27(35)19-23-11-6-3-7-12-23/h2-13,15-18,28,31H,14,19-21H2,1H3,(H,33,35)/b13-8+/t28-,31-/m1/s1
SMILES: C1C[C@H]2C[C@H]1C[C@H]2NC(=S)NC(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C21H24N2S/c24-21(22-19-14-15-11-12-18(19)13-15)23-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,18-20H,11-14H2,(H2,22,23,24)/t15-,18-,19+/m0/s1
SMILES: C[C@H]1CN(CCN1)C(=N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)NC4=CC5=C(C=C4)C(=O)N(C5=O)[C@@H](CC6=C(C=C(C=C6)Cl)Cl)CO
InChI: InChI=1S/C33H41Cl2N5O3/c1-18-16-39(10-9-36-18)32(38-29-13-21-12-27(19(29)2)33(21,3)4)37-23-7-8-25-26(15-23)31(43)40(30(25)42)24(17-41)11-20-5-6-22(34)14-28(20)35/h5-8,14-15,18-19,21,24,27,29,36,41H,9-13,16-17H2,1-4H3,(H,37,38)/t18-,19-,21+,24-,27-,29-/m0/s1
SMILES: COC1=CC(=C(C=C1)NC(=O)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOCC5=CC=C(C=C5)[N+](=O)[O-])C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)N(CCOCCO)C(=O)CCC7CCCC7)OCC=C)OC
InChI: InChI=1S/C55H72N4O14/c1-4-29-70-55-50(58(25-30-69-31-28-62)51(63)24-17-37-11-5-6-12-37)35-47(57-71-36-38-15-18-40(19-16-38)59(65)66)44-32-39(13-7-9-26-60)43(14-8-10-27-61)52(53(44)55)45-33-42(21-23-48(45)73-55)72-54(64)56-46-22-20-41(67-2)34-49(46)68-3/h4,15-16,18-23,32-34,37,39,43,50,52-53,60-62H,1,5-14,17,24-31,35-36H2,2-3H3,(H,56,64)/t39-,43+,50-,52+,53+,55+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C
InChI: InChI=1S/C21H34N2O2S/c1-17-7-5-6-8-20(17)22-13-15-23(16-14-22)26(24,25)19-11-9-18(10-12-19)21(2,3)4/h9-12,17,20H,5-8,13-16H2,1-4H3/t17-,20+/m1/s1
SMILES: C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)C3=CC=CC=C3OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C21H16N2O6/c24-19-15-5-1-2-6-16(15)20(25)22(19)17-7-3-4-8-18(17)29-21(26)13-9-11-14(12-10-13)23(27)28/h1-4,7-12,15-16H,5-6H2/t15-,16-/m1/s1
SMILES: CCC[C@H]1[C@H](N[C@@H]([C@@H]([C@@]1(C2=CC=C(C=C2)F)O)C)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C27H30FNO/c1-3-10-24-26(21-13-8-5-9-14-21)29-25(20-11-6-4-7-12-20)19(2)27(24,30)22-15-17-23(28)18-16-22/h4-9,11-19,24-26,29-30H,3,10H2,1-2H3/t19-,24-,25-,26+,27-/m0/s1
SMILES: C[C@H]1C/C=C/[C@H]2[C@@H](C(=C([C@@H]3[C@]2([C@@H](/C=C/[C@@](C1=O)(C)O)O)C(=O)N[C@H]3CC4=CC=CC=C4)C)C)O
InChI: InChI=1S/C28H35NO5/c1-16-9-8-12-20-24(31)18(3)17(2)23-21(15-19-10-6-5-7-11-19)29-26(33)28(20,23)22(30)13-14-27(4,34)25(16)32/h5-8,10-14,16,20-24,30-31,34H,9,15H2,1-4H3,(H,29,33)/b12-8+,14-13+/t16-,20-,21-,22+,23-,24+,27+,28-/m0/s1
SMILES: CC(=O)OC[C@@]1([C@H](CC[C@]2([C@H]1C[C@@H]([C@@]3([C@@H]2[C@H](C4=C(O3)C=C(OC4=O)C5=CN=CC=C5)O)C)OC(=O)CCC=C)C)OC(=O)C)C
InChI: InChI=1S/C34H41NO10/c1-7-8-11-27(38)44-26-16-24-32(4,13-12-25(42-20(3)37)33(24,5)18-41-19(2)36)30-29(39)28-23(45-34(26,30)6)15-22(43-31(28)40)21-10-9-14-35-17-21/h7,9-10,14-15,17,24-26,29-30,39H,1,8,11-13,16,18H2,2-6H3/t24-,25+,26+,29+,30-,32+,33+,34-/m1/s1
SMILES: CC1=CN(C(=O)N(C1=O)CCCCCCCCBr)[C@H]2[C@@H]([C@]3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C32H58BrN3O8SSi2/c1-23-20-36(29(38)35(27(23)37)19-17-15-13-12-14-16-18-33)28-26(43-47(10,11)31(5,6)7)32(24(34)22-45(39,40)44-32)25(42-28)21-41-46(8,9)30(2,3)4/h20,22,25-26,28H,12-19,21,34H2,1-11H3/t25-,26+,28-,32-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@@H]([C@](O1)(C#C[Si](C)(C)C)N2C=CC(=O)NC2=O)Br)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C26H47BrN2O5Si3/c1-24(2,3)36(10,11)32-18-19-21(34-37(12,13)25(4,5)6)22(27)26(33-19,15-17-35(7,8)9)29-16-14-20(30)28-23(29)31/h14,16,19,21-22H,18H2,1-13H3,(H,28,30,31)/t19-,21-,22+,26-/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=CC=C5OC)O)C(=O)N(C4=O)C6=CC(=CC=C6)[N+](=O)[O-])C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C34H29N3O8/c1-34-24(31(40)36(33(34)42)18-8-4-3-5-9-18)17-23-21(29(34)28-25(38)12-7-13-26(28)45-2)14-15-22-27(23)32(41)35(30(22)39)19-10-6-11-20(16-19)37(43)44/h3-14,16,22-24,27,29,38H,15,17H2,1-2H3/t22-,23+,24-,27-,29+,34+/m0/s1
SMILES: C[C@H]([C@@H]1[C@H]2[C@H]3CCC4=C(C3=C(N2C1=O)C(=O)O)C=C(C=C4)C5=CC=CC=C5)O.[K]
InChI: InChI=1S/C23H21NO4.K/c1-12(25)18-20-16-10-9-14-7-8-15(13-5-3-2-4-6-13)11-17(14)19(16)21(23(27)28)24(20)22(18)26;/h2-8,11-12,16,18,20,25H,9-10H2,1H3,(H,27,28);/t12-,16+,18-,20-;/m1./s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@H]3CC=C[C@H]3CCC#C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChI: InChI=1S/C25H30OSi.6CO.2Co/c1-5-6-14-21-15-13-20-24(21)26-27(25(2,3)4,22-16-9-7-10-17-22)23-18-11-8-12-19-23;6*1-2;;/h1,7-13,15-19,21,24H,6,14,20H2,2-4H3;;;;;;;;/t21-,24+;;;;;;;;/m1......../s1
SMILES: CCCCCCC(C)CCCCCCCCCOC[C@@H](COC1[C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)O
InChI: InChI=1S/C25H50O7/c1-3-4-5-11-14-19(2)15-12-9-7-6-8-10-13-16-31-17-20(26)18-32-25-23(29)21(27)22(28)24(25)30/h19-30H,3-18H2,1-2H3/t19?,20-,21+,22+,23-,24-/m0/s1
SMILES: CCCC(C(=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)C3=NC=CN=C3)C(=O)N4CCCC4
InChI: InChI=1S/C40H54N8O9/c1-6-12-27(33(49)37(53)44-28(40(56)57)21-25-13-8-7-9-14-25)43-36(52)32-26(38(54)47-18-10-11-19-47)15-20-48(32)39(55)31(24(4)5)46-35(51)30(23(2)3)45-34(50)29-22-41-16-17-42-29/h7-9,13-14,16-17,22-24,26-28,30-32H,6,10-12,15,18-21H2,1-5H3,(H,43,52)(H,44,53)(H,45,50)(H,46,51)(H,56,57)/t26-,27?,28-,30-,31-,32-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=C(C=C5OC)O)OC)C(=O)N(C4=O)C6=CC=CC(=C6)C(=O)O)C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C36H32N2O9/c1-36-25(32(41)38(35(36)45)19-9-5-4-6-10-19)17-24-22(30(36)29-26(46-2)15-21(39)16-27(29)47-3)12-13-23-28(24)33(42)37(31(23)40)20-11-7-8-18(14-20)34(43)44/h4-12,14-16,23-25,28,30,39H,13,17H2,1-3H3,(H,43,44)/t23-,24+,25-,28-,30+,36+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1C[C@H]([C@@H]([C@H]1CCCCCCC(=O)OC)CCC(C2=CC3=CC=CC=C3S2)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C36H62O5SSi2/c1-35(2,3)43(8,9)40-30-25-31(41-44(10,11)36(4,5)6)28(27(30)19-14-12-13-15-21-34(38)39-7)22-23-29(37)33-24-26-18-16-17-20-32(26)42-33/h16-18,20,24,27-31,37H,12-15,19,21-23,25H2,1-11H3/t27-,28-,29?,30+,31-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1CC(=C)C(=O)[C@H]2[C@@H]1O2
InChI: InChI=1S/C13H22O3Si/c1-8-7-9(11-12(15-11)10(8)14)16-17(5,6)13(2,3)4/h9,11-12H,1,7H2,2-6H3/t9-,11+,12-/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2=CC=C(C=C2)/C=C/C(=O)NCCCNCCCCNC(C)C)N=C(N)N)O)NC(=O)N[C@@H]3[C@@H]([C@H]([C@@H](CO3)OC4[C@@H]5[C@@H]([C@H](CO4)O)NC(=O)N5C(=O)N)O)NC(=O)N
InChI: InChI=1S/C40H65N13O13/c1-19(2)46-15-5-4-13-45-14-6-16-47-25(55)12-9-21-7-10-22(11-8-21)65-34-29(48-36(41)42)32(57)26(20(3)64-34)50-39(60)52-33-28(49-37(43)58)31(56)24(18-62-33)66-35-30-27(23(54)17-63-35)51-40(61)53(30)38(44)59/h7-12,19-20,23-24,26-35,45-46,54,56-57H,4-6,13-18H2,1-3H3,(H2,44,59)(H,47,55)(H,51,61)(H4,41,42,48)(H3,43,49,58)(H2,50,52,60)/b12-9+/t20-,23+,24-,26-,27-,28-,29-,30+,31+,32+,33+,34-,35?/m1/s1
SMILES: C[C@H]1[C@H]2[C@@H](CN1S(=O)(=O)C3=CC=C(C=C3)C)C(=O)CCN2CC4=CC=CC=C4
InChI: InChI=1S/C22H26N2O3S/c1-16-8-10-19(11-9-16)28(26,27)24-15-20-21(25)12-13-23(22(20)17(24)2)14-18-6-4-3-5-7-18/h3-11,17,20,22H,12-15H2,1-2H3/t17-,20-,22-/m0/s1
SMILES: COCCN([C@@H]1CC(=C[C@@H]([C@H]1O)OC2=CC=CC=C2I)C(=O)NCCO)C(=O)C3CCOC3
InChI: InChI=1S/C23H31IN2O7/c1-31-11-8-26(23(30)15-6-10-32-14-15)18-12-16(22(29)25-7-9-27)13-20(21(18)28)33-19-5-3-2-4-17(19)24/h2-5,13,15,18,20-21,27-28H,6-12,14H2,1H3,(H,25,29)/t15?,18-,20+,21+/m1/s1
SMILES: CCCCN1C[C@@H]2C=CC=C[C@]23[C@]1(C(=O)N(C3)CC4=CC=C(C=C4)OC)C(=O)OCC
InChI: InChI=1S/C25H32N2O4/c1-4-6-15-27-17-20-9-7-8-14-24(20)18-26(16-19-10-12-21(30-3)13-11-19)22(28)25(24,27)23(29)31-5-2/h7-14,20H,4-6,15-18H2,1-3H3/t20-,24+,25-/m0/s1
SMILES: CCC[C@H]1[C@H](O[C@H]([C@@H]2[C@H]([C@H]3CC2[C@H]([C@@H]3Br)O1)C)OC)CCC
InChI: InChI=1S/C18H31BrO3/c1-5-7-13-14(8-6-2)22-18(20-4)15-10(3)11-9-12(15)17(21-13)16(11)19/h10-18H,5-9H2,1-4H3/t10-,11+,12?,13-,14+,15+,16+,17+,18+/m0/s1
SMILES: COC1=CC=C(C2=CC=CC=C21)[C@H]3[C@@H]4CN(CC=C4C(=C(C3(C#N)C#N)N)C#N)CC5=CC=CC=C5
InChI: InChI=1S/C30H25N5O/c1-36-27-12-11-24(21-9-5-6-10-23(21)27)28-26-17-35(16-20-7-3-2-4-8-20)14-13-22(26)25(15-31)29(34)30(28,18-32)19-33/h2-13,26,28H,14,16-17,34H2,1H3/t26-,28+/m1/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)N2CCOCC2)C3=CC=CC4=C3CC5=CC=CC=C54)CCCO
InChI: InChI=1S/C28H33NO5/c1-2-33-28-23(11-6-14-30)25(18-26(34-28)27(31)29-12-15-32-16-13-29)22-10-5-9-21-20-8-4-3-7-19(20)17-24(21)22/h3-5,7-10,18,23,25,28,30H,2,6,11-17H2,1H3/t23-,25+,28+/m1/s1
SMILES: CCCCC[C@@H](/C=C/C1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)NCCCCCNC(=O)CCCC[C@@H]2[C@@H]3[C@H](CS2)NC(=O)N3)O
InChI: InChI=1S/C35H56N4O5S/c1-2-3-7-14-27(40)21-19-26-20-22-30(41)28(26)15-8-4-5-9-17-32(42)36-23-12-6-13-24-37-33(43)18-11-10-16-31-34-29(25-45-31)38-35(44)39-34/h4,8,19-22,26-29,31,34,40H,2-3,5-7,9-18,23-25H2,1H3,(H,36,42)(H,37,43)(H2,38,39,44)/b8-4-,21-19+/t26?,27-,28+,29-,31+,34-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C)[C@H]2[C@H]3CN4[C@@H]2[C@@H](O3)CC4
InChI: InChI=1S/C15H20N2O3S/c1-10-3-5-11(6-4-10)21(18,19)16(2)14-13-9-17-8-7-12(20-13)15(14)17/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14-,15+/m0/s1
SMILES: COC1=CC=CC=C1[P@](=O)(C2=CC=CC=C2)O[C@H]3[C@H](O[C@H]4[C@@H]3OC5(O4)CCCCC5)[C@@H]6COC7(O6)CCCCC7
InChI: InChI=1S/C31H39O8P/c1-33-23-15-7-8-16-25(23)40(32,22-13-5-2-6-14-22)39-27-26(24-21-34-30(36-24)17-9-3-10-18-30)35-29-28(27)37-31(38-29)19-11-4-12-20-31/h2,5-8,13-16,24,26-29H,3-4,9-12,17-21H2,1H3/t24-,26+,27-,28+,29+,40-/m0/s1
SMILES: C[C@H](CCCOS(=O)(=O)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)C)C)C
InChI: InChI=1S/C26H46O6S2/c1-18(7-6-16-31-33(4,27)28)22-10-11-23-21-9-8-19-17-20(32-34(5,29)30)12-14-25(19,2)24(21)13-15-26(22,23)3/h18-24H,6-17H2,1-5H3/t18-,19-,20-,21+,22-,23+,24+,25+,26-/m1/s1
SMILES: CC(C)(C)N1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)CC4=C([C@H]3C5=C(C6=CC=CC=C6C=C5)O)C(=O)C=C(C4=O)Br
InChI: InChI=1S/C30H26BrNO5/c1-30(2,3)32-28(36)18-11-10-16-19(24(18)29(32)37)12-20-25(22(33)13-21(31)27(20)35)23(16)17-9-8-14-6-4-5-7-15(14)26(17)34/h4-10,13,18-19,23-24,34H,11-12H2,1-3H3/t18-,19+,23+,24-/m0/s1
SMILES: C[C@]1(CC[C@@H]2[C@H](O1)C3=CC=CC=C3OC2(C)C)C#CCN4CCN(CC4)C
InChI: InChI=1S/C23H32N2O2/c1-22(2)19-10-12-23(3,11-7-13-25-16-14-24(4)15-17-25)27-21(19)18-8-5-6-9-20(18)26-22/h5-6,8-9,19,21H,10,12-17H2,1-4H3/t19-,21-,23-/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CNS(=O)(=O)N)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1
SMILES: CC1=C(C=C(C=C1)C(=O)COC(=O)[C@H]2[C@@H]3C[C@H]([C@H]2C(=O)OCC(=O)C4=CC(=C(C=C4)C)C)C=C3)C
InChI: InChI=1S/C29H30O6/c1-16-5-7-20(11-18(16)3)24(30)14-34-28(32)26-22-9-10-23(13-22)27(26)29(33)35-15-25(31)21-8-6-17(2)19(4)12-21/h5-12,22-23,26-27H,13-15H2,1-4H3/t22-,23+,26-,27+
SMILES: CC1=CC=CC=C1[C@@H]2[C@@H](C(=NC3=C2C(=O)CCC3)C)C(=O)OC
InChI: InChI=1S/C19H21NO3/c1-11-7-4-5-8-13(11)17-16(19(22)23-3)12(2)20-14-9-6-10-15(21)18(14)17/h4-5,7-8,16-17H,6,9-10H2,1-3H3/t16-,17-/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)NS(=O)(=O)C2=CC=C(C=C2)OC
InChI: InChI=1S/C15H23NO3S/c1-11-5-4-6-15(12(11)2)16-20(17,18)14-9-7-13(19-3)8-10-14/h7-12,15-16H,4-6H2,1-3H3/t11-,12-,15-/m0/s1
SMILES: C[C@H]1C[C@H]2[C@H](O2)[C@@H](C1(F)F)OCC3=CC=CC=C3
InChI: InChI=1S/C14H16F2O2/c1-9-7-11-12(18-11)13(14(9,15)16)17-8-10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3/t9-,11-,12-,13-/m0/s1
SMILES: CCCCCC[C@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O
InChI: InChI=1S/C15H24N2O5/c1-2-3-4-5-6-10-13(20)11(9-18)22-14(10)17-8-7-12(19)16-15(17)21/h7-8,10-11,13-14,18,20H,2-6,9H2,1H3,(H,16,19,21)/t10-,11+,13-,14+/m0/s1
SMILES: CC(C)[C@@H](C(=O)N1CC[C@@H]([C@H]1C2(CCC2)C=O)NC(=O)C3CC3)NC(=O)NC4CCCC4
InChI: InChI=1S/C24H38N4O4/c1-15(2)19(27-23(32)25-17-6-3-4-7-17)22(31)28-13-10-18(26-21(30)16-8-9-16)20(28)24(14-29)11-5-12-24/h14-20H,3-13H2,1-2H3,(H,26,30)(H2,25,27,32)/t18-,19-,20-/m0/s1
SMILES: C1[C@H]2C=C[C@@H]1[C@@H]([C@@H]2C(=O)NC3=CC4=CC=CC=C4C=C3)C(=O)[O-]
InChI: InChI=1S/C19H17NO3/c21-18(16-13-5-6-14(9-13)17(16)19(22)23)20-15-8-7-11-3-1-2-4-12(11)10-15/h1-8,10,13-14,16-17H,9H2,(H,20,21)(H,22,23)/p-1/t13-,14+,16-,17+/m1/s1
SMILES: C1[C@H]([C@@H]1C(=O)NC2=NC(=CS2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5
InChI: InChI=1S/C23H18N2OS/c26-22(20-13-19(20)16-7-2-1-3-8-16)25-23-24-21(14-27-23)18-11-10-15-6-4-5-9-17(15)12-18/h1-12,14,19-20H,13H2,(H,24,25,26)/t19-,20+/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)NC3=NC4=CC=CC=C4S3
InChI: InChI=1S/C17H17N3O3S/c21-14(19-17-18-12-7-3-4-8-13(12)24-17)9-20-15(22)10-5-1-2-6-11(10)16(20)23/h3-4,7-8,10-11H,1-2,5-6,9H2,(H,18,19,21)/t10-,11-/m1/s1
SMILES: CC(C)COC(=O)NC1=NC(=O)N(C=C1)C2[C@@H]([C@@H]([C@](O2)(CO)N=[N+]=[N-])O)O
InChI: InChI=1S/C14H20N6O7/c1-7(2)5-26-13(25)17-8-3-4-20(12(24)16-8)11-9(22)10(23)14(6-21,27-11)18-19-15/h3-4,7,9-11,21-23H,5-6H2,1-2H3,(H,16,17,24,25)/t9-,10+,11?,14-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)CCN[C@H]2C(=O)N3CC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C=O
InChI: InChI=1S/C20H34N6O3/c21-20(22)24-9-3-5-14(12-27)25-18(28)16-8-11-26(16)19(29)17-15-6-2-1-4-13(15)7-10-23-17/h12-17,23H,1-11H2,(H,25,28)(H4,21,22,24)/t13-,14-,15-,16-,17+/m0/s1
SMILES: CC1=C(OC(=O)O1)COC2=NC(=NC3=C2N(C(=O)N3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)CC=C)N
InChI: InChI=1S/C18H21N5O9/c1-3-4-22-10-13(23(17(22)27)15-12(26)11(25)8(5-24)31-15)20-16(19)21-14(10)29-6-9-7(2)30-18(28)32-9/h3,8,11-12,15,24-26H,1,4-6H2,2H3,(H2,19,20,21)/t8-,11-,12-,15-/m1/s1
SMILES: CCCCCC#CC1=CC=C(C2=CC=CC=C12)[C@@H]3[C@H](NC(=O)[C@@H]3C(C)C)CO
InChI: InChI=1S/C25H31NO2/c1-4-5-6-7-8-11-18-14-15-21(20-13-10-9-12-19(18)20)24-22(16-27)26-25(28)23(24)17(2)3/h9-10,12-15,17,22-24,27H,4-7,16H2,1-3H3,(H,26,28)/t22-,23-,24-/m1/s1
SMILES: C/C(=N\NC(=O)[C@@H]1C[C@H]1C2=CC=C(C=C2)C(C)(C)C)/C3=CC4=C(CCCC4)C=C3
InChI: InChI=1S/C26H32N2O/c1-17(20-10-9-18-7-5-6-8-21(18)15-20)27-28-25(29)24-16-23(24)19-11-13-22(14-12-19)26(2,3)4/h9-15,23-24H,5-8,16H2,1-4H3,(H,28,29)/b27-17+/t23-,24+/m0/s1
SMILES: CC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@@H]3[C@@]2(CCC(=O)C3(C)C)C)[C@]4([C@]1([C@H](CC4=O)C(C)(CCC(=O)O)O)C)C
InChI: InChI=1S/C29H38O9/c1-14(30)38-24-23(36)22-21(15(31)12-16-25(2,3)18(32)8-10-26(16,22)4)29(7)19(33)13-17(28(24,29)6)27(5,37)11-9-20(34)35/h16-17,24,37H,8-13H2,1-7H3,(H,34,35)/t16-,17+,24+,26-,27?,28-,29-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@@H]([C@@H]3C4=CC=CC=C4C=NN3[C@@H]2C(=O)C5=CC=C(C=C5)OC)[N+](=O)[O-]
InChI: InChI=1S/C26H23N3O5/c1-33-19-11-7-16(8-12-19)22-24(29(31)32)23-21-6-4-3-5-18(21)15-27-28(23)25(22)26(30)17-9-13-20(34-2)14-10-17/h3-15,22-25H,1-2H3/t22-,23-,24-,25-/m0/s1
SMILES: C[C@@H]([C@H]1CC=C2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)C)OC(=O)C)C)[C@@H]([C@H](C(=O)OC)O)O
InChI: InChI=1S/C43H60O7Si/c1-27(38(45)39(46)40(47)48-8)33-19-20-34-37-35(22-24-43(33,34)7)42(6)23-21-30(25-29(42)26-36(37)49-28(2)44)50-51(41(3,4)5,31-15-11-9-12-16-31)32-17-13-10-14-18-32/h9-18,20,27,29-30,33,35-39,45-46H,19,21-26H2,1-8H3/t27-,29-,30+,33+,35-,36+,37-,38-,39+,42-,43+/m0/s1
SMILES: C[C@H]1CCC[C@H]1OC(=O)C2=C(NC(=O)N[C@@H]2C3=CC=CC=C3)C
InChI: InChI=1S/C18H22N2O3/c1-11-7-6-10-14(11)23-17(21)15-12(2)19-18(22)20-16(15)13-8-4-3-5-9-13/h3-5,8-9,11,14,16H,6-7,10H2,1-2H3,(H2,19,20,22)/t11-,14+,16+/m0/s1
SMILES: C1=CC=C(C=C1)CN2[C@H]3[C@@H]([C@@H](N2)C4=CC=CC=C4O)C(=O)NC3=O
InChI: InChI=1S/C18H17N3O3/c22-13-9-5-4-8-12(13)15-14-16(18(24)19-17(14)23)21(20-15)10-11-6-2-1-3-7-11/h1-9,14-16,20,22H,10H2,(H,19,23,24)/t14-,15+,16+/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)C(CC=C(C)C)O
InChI: InChI=1S/C30H50O2/c1-19(2)9-11-24(31)20(3)21-13-17-30(8)23-10-12-25-27(4,5)26(32)15-16-28(25,6)22(23)14-18-29(21,30)7/h9,20-21,24-26,31-32H,10-18H2,1-8H3/t20-,21+,24?,25-,26-,28+,29+,30-/m0/s1
SMILES: C[C@@]12CC[C@]3(C1)[C@]4(CCCC([C@@H]4CC[C@]3([C@@H]2O)C)(C)C)C
InChI: InChI=1S/C20H34O/c1-16(2)8-6-9-18(4)14(16)7-10-19(5)15(21)17(3)11-12-20(18,19)13-17/h14-15,21H,6-13H2,1-5H3/t14-,15+,17+,18-,19-,20-/m0/s1
SMILES: CC[C@H](C)N1C(=O)[C@@H]2[C@H](N[C@@]3([C@@H]2C1=O)C4=C(C=CC(=C4)F)NC3=O)CC5=CC=CC=C5
InChI: InChI=1S/C24H24FN3O3/c1-3-13(2)28-21(29)19-18(11-14-7-5-4-6-8-14)27-24(20(19)22(28)30)16-12-15(25)9-10-17(16)26-23(24)31/h4-10,12-13,18-20,27H,3,11H2,1-2H3,(H,26,31)/t13-,18+,19+,20-,24+/m0/s1
SMILES: COC1=CC(=C(C=C1)[C@H]2[C@H]3CCCC[C@]3(CCN2C(=O)CCC4=CC=CC=C4)O)OC
InChI: InChI=1S/C26H33NO4/c1-30-20-12-13-21(23(18-20)31-2)25-22-10-6-7-15-26(22,29)16-17-27(25)24(28)14-11-19-8-4-3-5-9-19/h3-5,8-9,12-13,18,22,25,29H,6-7,10-11,14-17H2,1-2H3/t22-,25+,26-/m1/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)OO2)OO
InChI: InChI=1S/C20H32O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h4,7,12-13,15-19,23H,2-3,5-6,8-11,14H2,1H3,(H,21,22)/b7-4-,13-12+/t15-,16+,17+,18-,19-/m0/s1