EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1[C@@H]([C@H](OC2=C(C(=C(C(=C21)O)O)O)[C@H]3[C@@H]([C@H](OC4=C3C(=C(C(=C4[C@H]5[C@@H]([C@H](OC6=C5C(=C(C(=C6)O)O)O)C7=CC=C(C=C7)O)O)O)O)O)C8=CC=C(C=C8)O)O)C9=CC=C(C=C9)O)O
InChI: InChI=1S/C45H38O18/c46-18-7-1-15(2-8-18)41-23(50)13-21-31(51)39(59)34(54)28(44(21)62-41)27-30-36(56)40(60)35(55)29(45(30)63-43(38(27)58)17-5-11-20(48)12-6-17)26-25-24(14-22(49)32(52)33(25)53)61-42(37(26)57)16-3-9-19(47)10-4-16/h1-12,14,23,26-27,37-38,41-43,46-60H,13H2/t23-,26-,27+,37-,38-,41+,42+,43+/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1OP2(=O)OCC3=CC=CC=C3CO2)OP4(=O)OCC5=CC=CC=C5CO4)COC(=O)C6=CC=CC=C6)CCCOP7(=O)OCC8=CC=CC=C8CO7
InChI: InChI=1S/C42H45O17P3/c1-29(43)56-39-37(20-11-21-49-60(45)50-22-31-14-5-6-15-32(31)23-51-60)57-38(28-48-42(44)30-12-3-2-4-13-30)40(58-61(46)52-24-33-16-7-8-17-34(33)25-53-61)41(39)59-62(47)54-26-35-18-9-10-19-36(35)27-55-62/h2-10,12-19,37-41H,11,20-28H2,1H3/t37-,38+,39-,40+,41+/m0/s1
SMILES: CCOC1=CC=CC2=C1N[C@@H]([C@@H]3[C@H]2C=CC3)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C20H20N2O3/c1-2-25-18-8-4-7-17-15-5-3-6-16(15)19(21-20(17)18)13-9-11-14(12-10-13)22(23)24/h3-5,7-12,15-16,19,21H,2,6H2,1H3/t15-,16+,19-/m1/s1
SMILES: CC[C@@H]1[C@@]([C@@H]2[C@H](CN([C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OCC(=C)CO2)C)C)CC4=CC=CC=N4)C)(C)O
InChI: InChI=1S/C39H63N3O9/c1-12-31-39(9,46)34-24(3)19-42(20-29-15-13-14-16-40-29)25(4)18-38(8,48-22-23(2)21-47-34)35(27(6)32(43)28(7)36(45)50-31)51-37-33(44)30(41(10)11)17-26(5)49-37/h13-16,24-28,30-31,33-35,37,44,46H,2,12,17-22H2,1,3-11H3/t24-,25+,26+,27-,28+,30-,31+,33+,34-,35+,37-,38+,39+/m0/s1
SMILES: COC1=NC(=NC2=C1N=CN2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N
InChI: InChI=1S/C11H18N5O13P3/c1-25-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(17)6(27-7)3-26-31(21,22)29-32(23,24)28-30(18,19)20/h4-7,17H,2-3H2,1H3,(H,21,22)(H,23,24)(H2,12,14,15)(H2,18,19,20)/t5-,6+,7+/m0/s1
SMILES: C1CNC[C@@H]2[C@H]1N3CCC4=C3C2=CC(=C4)C5=C(C=C(C=C5)Cl)F
InChI: InChI=1S/C19H18ClFN2/c20-13-1-2-14(17(21)9-13)12-7-11-4-6-23-18-3-5-22-10-16(18)15(8-12)19(11)23/h1-2,7-9,16,18,22H,3-6,10H2/t16-,18-/m0/s1
SMILES: C[C@@H]1C[C@]2([C@H](CC[C@H]3[C@H]2CC[C@]4([C@H]3CC[C@H]4O)C)C[C@]15CS5)C
InChI: InChI=1S/C21H34OS/c1-13-10-20(3)14(11-21(13)12-23-21)4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20/h13-18,22H,4-12H2,1-3H3/t13-,14-,15-,16+,17-,18-,19+,20+,21+/m1/s1
SMILES: C1CO[C@@H]2[C@H]1C3=C(C=CC(=C3C=C2[N+](=O)[O-])O)O
InChI: InChI=1S/C12H11NO5/c14-9-1-2-10(15)11-6-3-4-18-12(6)8(13(16)17)5-7(9)11/h1-2,5-6,12,14-15H,3-4H2/t6-,12-/m1/s1
SMILES: CC(=O)S[C@@H]1CC2=CC(=O)C[C@@H]([C@@]2(C3C1C4CC[C@]([C@]4(CC3)C)(C)O)C)SC(=O)C
InChI: InChI=1S/C24H34O4S2/c1-13(25)29-19-11-15-10-16(27)12-20(30-14(2)26)24(15,5)18-6-8-22(3)17(21(18)19)7-9-23(22,4)28/h10,17-21,28H,6-9,11-12H2,1-5H3/t17?,18?,19-,20+,21?,22+,23+,24+/m1/s1
SMILES: C[C@@]12CC[C@H]3[C@@H](C[C@@H]([C@H](O3)CO)O)O[C@H]1C[C@@H]4[C@@](O2)(COC(O4)(C)C)C
InChI: InChI=1S/C19H32O7/c1-17(2)22-10-19(4)16(25-17)8-15-18(3,26-19)6-5-12-13(24-15)7-11(21)14(9-20)23-12/h11-16,20-21H,5-10H2,1-4H3/t11-,12-,13+,14+,15-,16+,18+,19-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1CC2=CC(=O)C[C@@H]2[C@@H]1O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C20H38O3Si2/c1-19(2,3)24(7,8)22-17-12-14-11-15(21)13-16(14)18(17)23-25(9,10)20(4,5)6/h11,16-18H,12-13H2,1-10H3/t16-,17-,18-/m0/s1
SMILES: C[C@H]1C[C@H](C2=C([C@@H]1CCC=C)C(=C(C=C2C)OC)N)C=C(C)C
InChI: InChI=1S/C21H31NO/c1-7-8-9-17-14(4)11-16(10-13(2)3)19-15(5)12-18(23-6)21(22)20(17)19/h7,10,12,14,16-17H,1,8-9,11,22H2,2-6H3/t14-,16+,17+/m0/s1
SMILES: [2H][C@]1([C@@](OC(=O)C1([2H])[2H])([2H])C([2H])([2H])OC(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C21H20O6/c1-13-3-7-15(8-4-13)20(23)25-12-18-17(11-19(22)26-18)27-21(24)16-9-5-14(2)6-10-16/h3-10,17-18H,11-12H2,1-2H3/t17-,18+/m0/s1/i11D2,12D2,17D,18D
SMILES: CSCCCC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C12H23NO9S3/c1-23-5-3-2-4-8(13-22-25(18,19)20)24-12-11(17)10(16)9(15)7(6-14)21-12/h7,9-12,14-17H,2-6H2,1H3,(H,18,19,20)/b13-8+/t7-,9-,10+,11-,12+/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H]3[C@H](C=CC(=O)N3)OCC4=CC=CC=C4
InChI: InChI=1S/C29H33NO3Si/c1-29(2,3)34(24-15-9-5-10-16-24,25-17-11-6-12-18-25)33-22-26-27(19-20-28(31)30-26)32-21-23-13-7-4-8-14-23/h4-20,26-27H,21-22H2,1-3H3,(H,30,31)/t26-,27-/m0/s1
SMILES: C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)CC3=CN=C(O3)C4=CC=CC=C4)[C@H](C)O
InChI: InChI=1S/C22H29NO6/c1-12(13(2)24)21-18(29-21)8-15-11-27-17(20(26)19(15)25)9-16-10-23-22(28-16)14-6-4-3-5-7-14/h3-7,10,12-13,15,17-21,24-26H,8-9,11H2,1-2H3/t12-,13-,15-,17-,18-,19+,20-,21-/m0/s1
SMILES: C[C@@H]1C[C@H](C([C@H](OC(=O)C[C@H]2[C@@H]([C@H](C[C@H](O2)CC(=C)[C@@H]1O)O[Si](C(C)C)(C(C)C)C(C)C)C)C=C)(C)C)O
InChI: InChI=1S/C31H56O6Si/c1-13-28-31(11,12)27(32)15-22(9)30(34)21(8)14-24-16-26(23(10)25(35-24)17-29(33)36-28)37-38(18(2)3,19(4)5)20(6)7/h13,18-20,22-28,30,32,34H,1,8,14-17H2,2-7,9-12H3/t22-,23+,24-,25+,26+,27-,28-,30+/m1/s1
SMILES: C[C@@H](CCC[C@@H](C)[C@H]1CC[C@@]2([C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4(C)C)O)C)C)C)CO
InChI: InChI=1S/C30H52O2/c1-20(19-31)9-8-10-21(2)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h12,20-24,26,31-32H,8-11,13-19H2,1-7H3/t20-,21+,22+,23-,24+,26+,28+,29+,30-/m0/s1
SMILES: C[C@H](C1=CC=C(C=C1)N2C=CN=C2)[NH2+][C@H]3C[C@@H]4[C@@H]3C=CC4
InChI: InChI=1S/C18H21N3/c1-13(20-18-11-15-3-2-4-17(15)18)14-5-7-16(8-6-14)21-10-9-19-12-21/h2,4-10,12-13,15,17-18,20H,3,11H2,1H3/p+1/t13-,15-,17+,18+/m1/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(=CC=C7)O)C(=O)N(C5=O)C8=CC=C(C=C8)C=C
InChI: InChI=1S/C41H35N3O5/c1-3-25-14-18-29(19-15-25)43-37(46)32-21-20-31-33(35(32)39(43)48)23-34-38(47)44(42-28-16-12-24(2)13-17-28)40(49)41(34,27-9-5-4-6-10-27)36(31)26-8-7-11-30(45)22-26/h3-20,22,32-36,42,45H,1,21,23H2,2H3/t32-,33+,34-,35-,36-,41+/m0/s1
SMILES: CC(=O)O[C@]1(C[C@@H]2[C@H]([C@@H](C1)O[Si](C)(C)C(C)(C)C)OC(O2)(C)C)C(=O)OC
InChI: InChI=1S/C19H34O7Si/c1-12(20)23-19(16(21)22-7)10-13-15(25-18(5,6)24-13)14(11-19)26-27(8,9)17(2,3)4/h13-15H,10-11H2,1-9H3/t13-,14-,15-,19+/m1/s1
SMILES: C[C@H]1CC[C@@H]2[C@@]([C@H]1CO)(CC[C@@H](C2(C)C)OC)C
InChI: InChI=1S/C16H30O2/c1-11-6-7-13-15(2,3)14(18-5)8-9-16(13,4)12(11)10-17/h11-14,17H,6-10H2,1-5H3/t11-,12-,13-,14-,16+/m0/s1
SMILES: C1CCC2(CC1)O[C@H]3[C@@H](O2)[C@H](O[C@H]4[C@@H]3OC5(O4)CCCCC5)C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NC=CS7
InChI: InChI=1S/C27H33N3O8S2/c31-23(29-17-7-9-18(10-8-17)40(32,33)30-25-28-15-16-39-25)21-19-20(36-26(35-19)11-3-1-4-12-26)22-24(34-21)38-27(37-22)13-5-2-6-14-27/h7-10,15-16,19-22,24H,1-6,11-14H2,(H,28,30)(H,29,31)/t19-,20+,21+,22-,24-/m1/s1
SMILES: C[C@@H]([C@H]1[C@@H](N(C(=O)O1)[C@H](C)C2=CC=CC=C2)CC(=O)O)I
InChI: InChI=1S/C15H18INO4/c1-9(16)14-12(8-13(18)19)17(15(20)21-14)10(2)11-6-4-3-5-7-11/h3-7,9-10,12,14H,8H2,1-2H3,(H,18,19)/t9-,10+,12-,14-/m0/s1
SMILES: CC[Si](CC)(CC)OC(C)(C)CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@H]1CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C44H84O3Si3/c1-18-50(19-2,20-3)47-44(12,13)30-22-23-33(4)38-28-29-39-35(24-21-25-40(38)39)26-27-36-31-37(45-48(14,15)42(6,7)8)32-41(34(36)5)46-49(16,17)43(9,10)11/h26-27,33,37-41H,5,18-25,28-32H2,1-4,6-17H3/b35-26+,36-27-/t33-,37-,38-,39+,40-,41+/m1/s1
SMILES: C1CN2CCC1C3=NN[C@H]([C@@H]32)C4=CC=C(C=C4)C5=CC=CC=C5
InChI: InChI=1S/C20H21N3/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)18-20-19(22-21-18)17-10-12-23(20)13-11-17/h1-9,17-18,20-21H,10-13H2/t18-,20-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC1=C/C(=C/CCCO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)/[C@@H]4[C@H]1[C@H]5C[C@@H]4C=C5
InChI: InChI=1S/C36H50O2Si2/c1-35(2,3)39(7,8)38-32-26-27(33-28-22-23-29(25-28)34(32)33)17-15-16-24-37-40(36(4,5)6,30-18-11-9-12-19-30)31-20-13-10-14-21-31/h9-14,17-23,26,28-29,33-34H,15-16,24-25H2,1-8H3/b27-17-/t28-,29+,33-,34-/m0/s1
SMILES: C[C@]12CCCC([C@@H]1CC[C@]3([C@@H]2[C@@H](O[C@@H]3O)OC)O)(C)C
InChI: InChI=1S/C16H28O4/c1-14(2)7-5-8-15(3)10(14)6-9-16(18)11(15)12(19-4)20-13(16)17/h10-13,17-18H,5-9H2,1-4H3/t10-,11+,12+,13-,15-,16+/m0/s1
SMILES: CC1=CC[C@]2(CC[C@]([C@H]2[C@H](C1)OC(=O)C3=CC(=C(C=C3)O)OC)(C(C)C)O)C
InChI: InChI=1S/C23H32O5/c1-14(2)23(26)11-10-22(4)9-8-15(3)12-19(20(22)23)28-21(25)16-6-7-17(24)18(13-16)27-5/h6-8,13-14,19-20,24,26H,9-12H2,1-5H3/t19-,20-,22-,23+/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@@H]3[C@@H](N4CCCN4[C@H]3C2=O)C5=CC=C(C=C5)Cl)C
InChI: InChI=1S/C22H22ClN3O2/c1-13-4-9-17(12-14(13)2)26-21(27)18-19(15-5-7-16(23)8-6-15)24-10-3-11-25(24)20(18)22(26)28/h4-9,12,18-20H,3,10-11H2,1-2H3/t18-,19+,20-/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@H]([C@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O
InChI: InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15+,16+,18-/m0/s1
SMILES: COC1=CC2=C(C=CN=C2C=C1)[C@H](CN3CC[C@@H]([C@@H](C3)F)NCC4=C(C=C5C(=N4)NC(=O)CO5)Cl)O
InChI: InChI=1S/C25H27ClFN5O4/c1-35-14-2-3-19-16(8-14)15(4-6-28-19)22(33)12-32-7-5-20(18(27)11-32)29-10-21-17(26)9-23-25(30-21)31-24(34)13-36-23/h2-4,6,8-9,18,20,22,29,33H,5,7,10-13H2,1H3,(H,30,31,34)/t18-,20+,22+/m1/s1
SMILES: CC(=CC(=O)N(CC1=CC2=C(C=C1)OCO2)[C@@H]3CC(=C[C@@H]([C@H]3O)OC4=CC=CC=C4I)C(=O)NCCO)C
InChI: InChI=1S/C28H31IN2O7/c1-17(2)11-26(33)31(15-18-7-8-23-24(12-18)37-16-36-23)21-13-19(28(35)30-9-10-32)14-25(27(21)34)38-22-6-4-3-5-20(22)29/h3-8,11-12,14,21,25,27,32,34H,9-10,13,15-16H2,1-2H3,(H,30,35)/t21-,25+,27+/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)CCCCCNC(=O)C)CN(C)CCC4=CC=CC=N4
InChI: InChI=1S/C35H46N4O5/c1-25-32(23-39(3)22-19-30-9-6-8-21-37-30)43-35(44-34(25)28-13-11-27(24-40)12-14-28)29-15-17-31(18-16-29)38-33(42)10-5-4-7-20-36-26(2)41/h6,8-9,11-18,21,25,32,34-35,40H,4-5,7,10,19-20,22-24H2,1-3H3,(H,36,41)(H,38,42)/t25-,32+,34+,35+/m0/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=CC(=C(C=C5)OC)O)C(=O)N(C4=O)C6=CC=C(C=C6)[N+](=O)[O-])Cl
InChI: InChI=1S/C28H23Cl2N3O8/c1-31-25(37)27(29)12-18-16(22(28(27,30)26(31)38)13-3-10-20(41-2)19(34)11-13)8-9-17-21(18)24(36)32(23(17)35)14-4-6-15(7-5-14)33(39)40/h3-8,10-11,17-18,21-22,34H,9,12H2,1-2H3/t17-,18+,21-,22-,27+,28-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)(C)C)O[C@@H]1OCC3=CC=CC=C3)O
InChI: InChI=1S/C18H25NO6/c1-11(20)19-14-15(21)16-13(10-23-18(2,3)25-16)24-17(14)22-9-12-7-5-4-6-8-12/h4-8,13-17,21H,9-10H2,1-3H3,(H,19,20)/t13-,14-,15-,16+,17+/m1/s1
SMILES: C[C@@H]1[C@@H]2CCC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)C)C
InChI: InChI=1S/C15H18O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6,9-10,13-14H,4-5H2,1-3H3/t9-,10+,13+,14+/m1/s1
SMILES: CC([C@@H]1CC(=O)O[C@@H]1CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)[N+](=O)[O-]
InChI: InChI=1S/C23H29NO5Si/c1-17(24(26)27)20-15-22(25)29-21(20)16-28-30(23(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,20-21H,15-16H2,1-4H3/t17?,20-,21+/m0/s1
SMILES: CC(=O)O[C@@H]1CO[C@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C13H18O9/c1-6(14)19-10-5-18-13(22-9(4)17)12(21-8(3)16)11(10)20-7(2)15/h10-13H,5H2,1-4H3/t10-,11-,12+,13+/m1/s1
SMILES: CCOCCCN([C@@H]1C=C([C@H]2[C@@H]([C@H]1O)OC3=CC=CC=C23)C(=O)NCCO)C(=O)CC4CC5CCC4C5
InChI: InChI=1S/C29H40N2O6/c1-2-36-13-5-11-31(25(33)16-20-15-18-8-9-19(20)14-18)23-17-22(29(35)30-10-12-32)26-21-6-3-4-7-24(21)37-28(26)27(23)34/h3-4,6-7,17-20,23,26-28,32,34H,2,5,8-16H2,1H3,(H,30,35)/t18?,19?,20?,23-,26+,27+,28+/m1/s1
SMILES: C[C@@H]1CC[C@H]2CC(=O)O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)CC(C)C
InChI: InChI=1S/C17H26O5/c1-10(2)9-16-7-6-13-11(3)4-5-12-8-14(18)19-15(20-16)17(12,13)22-21-16/h10-13,15H,4-9H2,1-3H3/t11-,12+,13+,15-,16+,17+/m1/s1
SMILES: C1[C@@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O)CCCOC2=CC=CC=C2C(=O)O
InChI: InChI=1S/C17H22O8/c18-12-9-17(24,16(22)23)8-10(14(12)19)4-3-7-25-13-6-2-1-5-11(13)15(20)21/h1-2,5-6,10,12,14,18-19,24H,3-4,7-9H2,(H,20,21)(H,22,23)/t10-,12+,14+,17-/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C4=C(C(=O)N(C=N4)COCCOP(=O)(O)SC5=CC=CC=C5)N=C3Cl)COP(=O)(O)O)C
InChI: InChI=1S/C22H27ClN4O12P2S/c1-22(2)38-16-14(10-36-40(29,30)31)37-20(17(16)39-22)27-18-15(25-21(27)23)19(28)26(11-24-18)12-34-8-9-35-41(32,33)42-13-6-4-3-5-7-13/h3-7,11,14,16-17,20H,8-10,12H2,1-2H3,(H,32,33)(H2,29,30,31)/t14-,16-,17-,20-/m1/s1
SMILES: C1C[C@@H]([C@H](C1)C(=O)N2CCC(CC2)C3=CC=CC=C3)C(=O)NO
InChI: InChI=1S/C18H24N2O3/c21-17(19-23)15-7-4-8-16(15)18(22)20-11-9-14(10-12-20)13-5-2-1-3-6-13/h1-3,5-6,14-16,23H,4,7-12H2,(H,19,21)/t15-,16-/m0/s1
SMILES: CN(CC#CC1=CC2=C(C=C1)NC(=O)[C@]23[C@@H]([C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]3C5=CC(=CC=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NC8=NC9=CC=CC=C9S8)CC1=CC=CC=C1
InChI: InChI=1S/C53H45N5O6S/c1-57(33-35-15-5-2-6-16-35)28-14-17-34-26-27-41-40(31-34)53(51(62)54-41)44(49(60)56-52-55-42-24-11-12-25-43(42)65-52)46-50(61)64-47(37-20-9-4-10-21-37)45(36-18-7-3-8-19-36)58(46)48(53)38-22-13-23-39(32-38)63-30-29-59/h2-13,15-16,18-27,31-32,44-48,59H,28-30,33H2,1H3,(H,54,62)(H,55,56,60)/t44-,45-,46-,47+,48+,53-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)CC(=O)OC
InChI: InChI=1S/C25H35N3O6Si/c1-25(2,3)35(5,6)33-16-19-18(15-22(29)32-4)14-21(34-19)28-13-12-20(27-24(28)31)26-23(30)17-10-8-7-9-11-17/h7-13,18-19,21H,14-16H2,1-6H3,(H,26,27,30,31)/t18-,19-,21-/m1/s1
SMILES: CCCNC(=O)[C@H]([C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)O)O
InChI: InChI=1S/C24H35NO5/c1-4-11-25-21(29)20(28)24(30)10-8-17-16-6-5-14-12-15(26)7-9-22(14,2)19(16)18(27)13-23(17,24)3/h7,9,12,16-20,27-28,30H,4-6,8,10-11,13H2,1-3H3,(H,25,29)/t16-,17-,18-,19+,20+,22-,23-,24-/m0/s1
SMILES: CN([C@H]1CC(=NOC2CCCCO2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC6=CC=CC(=C6)C=O)OCC=C)CCCCO)CCCCO)C(=O)CCC7CCCC7
InChI: InChI=1S/C48H64N2O9/c1-3-26-56-48-43(50(2)44(54)23-20-33-13-4-5-14-33)31-41(49-59-45-19-8-11-27-55-45)39-29-35(16-6-9-24-51)38(18-7-10-25-52)46(47(39)48)40-30-37(21-22-42(40)58-48)57-36-17-12-15-34(28-36)32-53/h3,12,15,17,21-22,28-30,32-33,35,38,43,45-47,51-52H,1,4-11,13-14,16,18-20,23-27,31H2,2H3/t35-,38+,43-,45?,46+,47+,48+/m0/s1
SMILES: CN1C(=NN(C1=S)[C@@H]2CC(=O)[C@H]3OC[C@@H]2O3)CN4C[C@H](CC4=O)C5=CC=CC=C5
InChI: InChI=1S/C20H22N4O4S/c1-22-17(10-23-9-13(7-18(23)26)12-5-3-2-4-6-12)21-24(20(22)29)14-8-15(25)19-27-11-16(14)28-19/h2-6,13-14,16,19H,7-11H2,1H3/t13-,14+,16-,19-/m0/s1
SMILES: C1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-]
InChI: InChI=1S/C20H26N2O4/c23-18(16-9-2-3-10-17(16)20(25)26)21-15-8-6-7-14(13-15)19(24)22-11-4-1-5-12-22/h6-8,13,16-17H,1-5,9-12H2,(H,21,23)(H,25,26)/p-1/t16-,17-/m0/s1
SMILES: CN1C[C@H]2[C@H](N(N=C2/C(=C/C3=CC=C(C=C3)OC)/C1)C(=S)N)C4=CC=C(C=C4)OC
InChI: InChI=1S/C23H26N4O2S/c1-26-13-17(12-15-4-8-18(28-2)9-5-15)21-20(14-26)22(27(25-21)23(24)30)16-6-10-19(29-3)11-7-16/h4-12,20,22H,13-14H2,1-3H3,(H2,24,30)/b17-12+/t20-,22-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C[C@@H]3C[C@@H]4C[C@@H]3C=C4
InChI: InChI=1S/C19H26N2O2S/c1-15-2-6-19(7-3-15)24(22,23)21-10-8-20(9-11-21)14-18-13-16-4-5-17(18)12-16/h2-7,16-18H,8-14H2,1H3/t16-,17-,18-/m0/s1
SMILES: CN([C@@H]1[C@H](C2=CC=CC3=C2C1=CC=C3)NS(=O)(=O)C)C4=CC=CC=C4
InChI: InChI=1S/C20H20N2O2S/c1-22(15-10-4-3-5-11-15)20-17-13-7-9-14-8-6-12-16(18(14)17)19(20)21-25(2,23)24/h3-13,19-21H,1-2H3/t19-,20-/m0/s1
SMILES: C[C@@]12CCCC(=C)[C@H]1C[C@@H]3[C@@H](C2)OC(=O)[C@H]3C[NH+](C)CC4=CC=CC=C4
InChI: InChI=1S/C23H31NO2/c1-16-8-7-11-23(2)13-21-18(12-20(16)23)19(22(25)26-21)15-24(3)14-17-9-5-4-6-10-17/h4-6,9-10,18-21H,1,7-8,11-15H2,2-3H3/p+1/t18-,19-,20+,21+,23-/m0/s1
SMILES: CCCN([C@H]1CC(=NOCC2=CC=CC=C2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OCC6=CC=CC(=N6)C)OCC=C)CCCCO)CCCCO)C(=O)OC7=CC=C(C=C7)[N+](=O)[O-]
InChI: InChI=1S/C51H60N4O10/c1-4-26-54(50(58)64-40-22-20-39(21-23-40)55(59)60)47-32-45(53-63-33-36-15-7-6-8-16-36)43-30-37(17-9-11-27-56)42(19-10-12-28-57)48-44-31-41(61-34-38-18-13-14-35(3)52-38)24-25-46(44)65-51(47,49(43)48)62-29-5-2/h5-8,13-16,18,20-25,30-31,37,42,47-49,56-57H,2,4,9-12,17,19,26-29,32-34H2,1,3H3/t37-,42+,47-,48+,49+,51+/m0/s1
SMILES: CCOP(=O)(C[C@@H]1[C@@H]([C@H]([C@@H](O1)O[Si](C)(C)C(C)(C)C)OS(=O)(=O)C2=CC=C(C=C2)C)N=[N+]=[N-])OCC
InChI: InChI=1S/C22H38N3O8PSSi/c1-9-29-34(26,30-10-2)15-18-19(24-25-23)20(21(31-18)33-36(7,8)22(4,5)6)32-35(27,28)17-13-11-16(3)12-14-17/h11-14,18-21H,9-10,15H2,1-8H3/t18-,19+,20-,21+/m1/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](CC[C@@]4([C@@H]3CC[C@@]2([C@@]1(C)C(=O)C)C)C)O
InChI: InChI=1S/C23H36O2/c1-14-12-20-18-7-6-16-13-17(25)8-10-21(16,3)19(18)9-11-22(20,4)23(14,5)15(2)24/h6,14,17-20,25H,7-13H2,1-5H3/t14-,17-,18-,19-,20+,21+,22+,23-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H](O2)CCCO3)O[C@@H]4CC[C@H]5[C@@H](C[C@@H]([C@H](O5)CO[Si](C)(C)C(C)(C)C)O)O[C@H]4C1
InChI: InChI=1S/C30H52O9Si/c1-18(31)35-19-9-10-22-28(16-25-21(36-22)8-7-13-33-25)37-23-11-12-24-27(39-26(23)14-19)15-20(32)29(38-24)17-34-40(5,6)30(2,3)4/h19-29,32H,7-17H2,1-6H3/t19-,20-,21-,22+,23+,24-,25+,26-,27+,28-,29+/m0/s1
SMILES: CC1=C(C[C@H]2[C@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(C)C)C
InChI: InChI=1S/C19H23NO2/c1-11(2)14-5-7-15(8-6-14)20-18(21)16-9-12(3)13(4)10-17(16)19(20)22/h5-8,11,16-17H,9-10H2,1-4H3/t16-,17-/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=C(C=C4)O)Cl)C5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)F)[C@@H]7[C@H]1C(=O)N(C7=O)CCCCCC(=O)O
InChI: InChI=1S/C38H34Cl2FN3O7/c39-21-7-5-20(6-8-21)38-29(35(49)44(37(38)51)42-23-11-9-22(41)10-12-23)19-28-25(33(38)26-14-13-24(45)18-30(26)40)15-16-27-32(28)36(50)43(34(27)48)17-3-1-2-4-31(46)47/h5-15,18,27-29,32-33,42,45H,1-4,16-17,19H2,(H,46,47)/t27-,28+,29-,32-,33+,38+/m0/s1
SMILES: CC1=C([C@@H]([C@@H]2C(=N1)CCCC2=O)C3=C(C=CC(=C3)OC)OC)C(=O)OC4CCCCCC4
InChI: InChI=1S/C26H33NO5/c1-16-23(26(29)32-17-9-6-4-5-7-10-17)24(25-20(27-16)11-8-12-21(25)28)19-15-18(30-2)13-14-22(19)31-3/h13-15,17,24-25H,4-12H2,1-3H3/t24-,25+/m0/s1
SMILES: C[C@@]12CCC(=O)C[C@H]1/C(=C/OC)/CC[C@H]2O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C19H34O3Si/c1-18(2,3)23(6,7)22-17-9-8-14(13-21-5)16-12-15(20)10-11-19(16,17)4/h13,16-17H,8-12H2,1-7H3/b14-13+/t16-,17+,19+/m0/s1
SMILES: C[C@@]1(CC2=C([C@@H]([C@@H]1C(=O)OC)C3=CC=C(C=C3)OC)C(=O)NN2)O
InChI: InChI=1S/C17H20N2O5/c1-17(22)8-11-13(15(20)19-18-11)12(14(17)16(21)24-3)9-4-6-10(23-2)7-5-9/h4-7,12,14,22H,8H2,1-3H3,(H2,18,19,20)/t12-,14+,17-/m0/s1
SMILES: C1C=C[C@H]2[C@H]1[C@@H](NC3=CC=CC=C23)C4=CC5=C(C=C4Br)OCO5
InChI: InChI=1S/C19H16BrNO2/c20-15-9-18-17(22-10-23-18)8-14(15)19-13-6-3-5-11(13)12-4-1-2-7-16(12)21-19/h1-5,7-9,11,13,19,21H,6,10H2/t11-,13+,19-/m1/s1
SMILES: CCC[N@@+]1(CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC)C
InChI: InChI=1S/C24H34NO4/c1-7-11-25(2)12-10-18-15-23(28-5)24(29-6)16-19(18)20(25)13-17-8-9-21(26-3)22(14-17)27-4/h8-9,14-16,20H,7,10-13H2,1-6H3/q+1/t20-,25+/m0/s1
SMILES: CC(=C)[C@@H]1CC[C@@]2([C@@H]1[C@@H]3CC[C@@H]4[C@@]5(CCC(=O)C[C@@H]5CC[C@@]4([C@@]3(CC2)C)C)C)C
InChI: InChI=1S/C28H44O/c1-18(2)21-11-12-25(3)15-16-27(5)22(24(21)25)7-8-23-26(4)13-10-20(29)17-19(26)9-14-28(23,27)6/h19,21-24H,1,7-17H2,2-6H3/t19-,21-,22-,23+,24-,25-,26+,27+,28-/m0/s1
SMILES: CC1=CC=C(C=C1)[S@](=O)[C@]23[C@H](O2)[C@H](O[C@H]3C4=CN=CC=C4)CO
InChI: InChI=1S/C17H17NO4S/c1-11-4-6-13(7-5-11)23(20)17-15(12-3-2-8-18-9-12)21-14(10-19)16(17)22-17/h2-9,14-16,19H,10H2,1H3/t14-,15+,16-,17-,23+/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@H]3[C@H](C(=O)N(C3=O)C4=C(C(=CC=C4)Cl)C)C5(O2)C(=O)C6=CC=CC=C6C5=O
InChI: InChI=1S/C28H20ClNO5/c1-14-10-12-16(13-11-14)23-21-22(27(34)30(26(21)33)20-9-5-8-19(29)15(20)2)28(35-23)24(31)17-6-3-4-7-18(17)25(28)32/h3-13,21-23H,1-2H3/t21-,22-,23-/m1/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)OCC=C)C2=CC=CC3=C2CC4=CC=CC=C43)CCOCCOCCO
InChI: InChI=1S/C30H36O7/c1-3-14-36-29(32)28-20-27(24-11-7-10-23-22-9-6-5-8-21(22)19-26(23)24)25(30(37-28)35-4-2)12-15-33-17-18-34-16-13-31/h3,5-11,20,25,27,30-31H,1,4,12-19H2,2H3/t25-,27+,30+/m1/s1
SMILES: CC[C@H]\1[C@H](N[C@@H](C/C1=N/O)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C19H22N2O/c1-2-16-18(21-22)13-17(14-9-5-3-6-10-14)20-19(16)15-11-7-4-8-12-15/h3-12,16-17,19-20,22H,2,13H2,1H3/b21-18-/t16-,17+,19-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)OC(C)C)OC
InChI: InChI=1S/C23H33NO5/c1-15(2)29-20-11-9-18(13-21(20)27-5)10-12-23(26)28-14-22(25)24-19-8-6-7-16(3)17(19)4/h9-13,15-17,19H,6-8,14H2,1-5H3,(H,24,25)/b12-10+/t16-,17-,19-/m1/s1
SMILES: C([C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)C(=O)O)C(=O)O
InChI: InChI=1S/C11H19O13P/c12-4(13)1-3(11(19)20)2-23-25(21,22)24-10-8(17)6(15)5(14)7(16)9(10)18/h3,5-10,14-18H,1-2H2,(H,12,13)(H,19,20)(H,21,22)/t3-,5?,6-,7+,8-,9-,10?/m1/s1
SMILES: CN1C(=O)N[C@@H]([C@@H]([C@]1(C(F)(F)F)O)C(=O)C2=CC=CS2)C3=CC=C(C=C3)OC(F)F
InChI: InChI=1S/C18H15F5N2O4S/c1-25-16(27)24-13(9-4-6-10(7-5-9)29-15(19)20)12(17(25,28)18(21,22)23)14(26)11-3-2-8-30-11/h2-8,12-13,15,28H,1H3,(H,24,27)/t12-,13-,17-/m1/s1
SMILES: C[C@H]1[C@@H](N(C1=O)C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C
InChI: InChI=1S/C17H21NO5/c1-11-13(15(20)23-17(2,3)4)18(14(11)19)16(21)22-10-12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3/t11-,13+/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C16H13N3O5/c20-14(8-3-5-11(6-4-8)19(23)24)17-18-15(21)12-9-1-2-10(7-9)13(12)16(18)22/h1-6,9-10,12-13H,7H2,(H,17,20)/t9-,10+,12-,13+
SMILES: C[C@H]1[C@@H]2[C@H]([C@@H](CC[C@]2(CC3=C1N=C(S3)CSC4=CC=CC=C4)C)[C@H](C)C(=O)N(C)CC[NH+](C)C)O
InChI: InChI=1S/C28H41N3O2S2/c1-18(27(33)31(6)15-14-30(4)5)21-12-13-28(3)16-22-25(19(2)24(28)26(21)32)29-23(35-22)17-34-20-10-8-7-9-11-20/h7-11,18-19,21,24,26,32H,12-17H2,1-6H3/p+1/t18-,19-,21-,24+,26-,28-/m0/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=CC=C(C=C4)O)Cl)C5=C(C(=C(C(=C5F)F)F)F)F)Cl)[C@@H]6[C@H]1C(=O)N(C6=O)CC7=CC=CS7
InChI: InChI=1S/C31H19Cl2F5N2O5S/c32-30-10-17-15(7-8-16-18(17)27(43)39(26(16)42)11-14-2-1-9-46-14)19(12-3-5-13(41)6-4-12)31(30,33)29(45)40(28(30)44)25-23(37)21(35)20(34)22(36)24(25)38/h1-7,9,16-19,41H,8,10-11H2/t16-,17+,18-,19-,30+,31-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C4=NC(=CS4)OC)CC=C5[C@@]3(CC[C@@H](C5)O)C
InChI: InChI=1S/C23H33NO2S/c1-22-10-8-15(25)12-14(22)4-5-16-17-6-7-19(21-24-20(26-3)13-27-21)23(17,2)11-9-18(16)22/h4,13,15-19,25H,5-12H2,1-3H3/t15-,16-,17-,18-,19+,22-,23-/m0/s1
SMILES: CC(C)[C@@H]([C@H]1C[C@@H]1C2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C20H24O/c1-15(2)20(21-14-16-9-5-3-6-10-16)19-13-18(19)17-11-7-4-8-12-17/h3-12,15,18-20H,13-14H2,1-2H3/t18-,19+,20+/m1/s1
SMILES: C[C@@]12[C@@H]([C@H]([C@@H](O1)C([C@]23COC(O3)(C)C)(F)F)S(=O)(=O)C4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C24H26F2O6S/c1-21(2)30-15-23(32-21)22(3)19(29-14-16-10-6-4-7-11-16)18(20(31-22)24(23,25)26)33(27,28)17-12-8-5-9-13-17/h4-13,18-20H,14-15H2,1-3H3/t18-,19-,20-,22+,23+/m1/s1
SMILES: C[C@H](/C=C/[C@@H](C)[C@](C)(CO)O)[C@H]1C[C@@H]([C@@]2([C@@]1(CC[C@H]3[C@]2(C[C@@H]([C@@]4([C@@]3(CC[C@@H]([C@@H]4O)O)C)O)O)O)C)O)O
InChI: InChI=1S/C28H48O9/c1-15(6-7-16(2)25(5,34)14-29)17-12-20(31)28(37)23(17,3)11-9-19-24(4)10-8-18(30)22(33)27(24,36)21(32)13-26(19,28)35/h6-7,15-22,29-37H,8-14H2,1-5H3/b7-6+/t15-,16-,17-,18+,19-,20+,21+,22+,23-,24-,25+,26+,27-,28+/m1/s1
SMILES: C[C@H](C(=O)C1=CC=C(C=C1)F)OC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C19H18FNO5/c1-11(17(23)12-6-8-13(20)9-7-12)26-16(22)10-21-18(24)14-4-2-3-5-15(14)19(21)25/h2-3,6-9,11,14-15H,4-5,10H2,1H3/t11-,14+,15+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)[C@H](C)SC2=NN=C(O2)C3=CC=CC=C3C
InChI: InChI=1S/C20H27N3O2S/c1-12-9-7-11-17(14(12)3)21-18(24)15(4)26-20-23-22-19(25-20)16-10-6-5-8-13(16)2/h5-6,8,10,12,14-15,17H,7,9,11H2,1-4H3,(H,21,24)/t12-,14-,15-,17+/m0/s1
SMILES: C[N@+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)CCCCC(=O)OCCC[N@+]4(CCC5=CC(=C(C=C5[C@@H]4C6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C.[Cl-].[Cl-]
InChI: InChI=1S/C55H76N2O14.2ClH/c1-56(23-19-37-30-43(60-3)45(62-5)34-40(37)42(56)27-36-28-47(64-7)54(68-11)48(29-36)65-8)21-15-25-70-51(58)17-13-14-18-52(59)71-26-16-22-57(2)24-20-38-31-44(61-4)46(63-6)35-41(38)53(57)39-32-49(66-9)55(69-12)50(33-39)67-10;;/h28-35,42,53H,13-27H2,1-12H3;2*1H/q+2;;/p-2/t42-,53+,56-,57+;;/m1../s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)Br)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C29H25BrO9/c1-18(31)35-17-22-23(37-27(32)19-11-5-2-6-12-19)24(38-28(33)20-13-7-3-8-14-20)25(26(30)36-22)39-29(34)21-15-9-4-10-16-21/h2-16,22-26H,17H2,1H3/t22-,23-,24+,25-,26+/m1/s1
SMILES: C[C@@H](C(=O)O[C@H](C)C(=O)N)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O
InChI: InChI=1S/C14H18N2O5/c1-7(14(20)21-8(2)11(15)17)16-12(18)9-5-3-4-6-10(9)13(16)19/h3-4,7-10H,5-6H2,1-2H3,(H2,15,17)/t7-,8+,9-,10-/m0/s1