EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H](C1=CC=CC=C1)N2[C@H]3[C@H]4[C@H](CCC[C@H]4O2)OC5=C3C=C(C=C5)F
InChI: InChI=1S/C21H22FNO2/c1-13(14-6-3-2-4-7-14)23-21-16-12-15(22)10-11-17(16)24-18-8-5-9-19(25-23)20(18)21/h2-4,6-7,10-13,18-21H,5,8-9H2,1H3/t13-,18+,19-,20+,21-/m1/s1
SMILES: CC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)CBr)Cl)Cl)C(=O)N(C4=O)C6=CC=CC(=C6)C(=O)O)O
InChI: InChI=1S/C29H23BrCl2N2O7/c1-13-9-14(5-8-20(13)35)22-17-6-7-18-21(19(17)11-28(31)26(40)33(12-30)27(41)29(22,28)32)24(37)34(23(18)36)16-4-2-3-15(10-16)25(38)39/h2-6,8-10,18-19,21-22,35H,7,11-12H2,1H3,(H,38,39)/t18-,19+,21-,22-,28+,29-/m0/s1
SMILES: CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)OC)O)CC=O)C)\C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC
InChI: InChI=1S/C38H62O14/c1-10-29-26(19-48-38-36(47-9)35(46-8)32(43)24(6)50-38)15-20(2)11-12-27(40)21(3)16-25(13-14-39)34(23(5)28(41)18-31(42)51-29)52-37-33(44)30(45-7)17-22(4)49-37/h11-12,14-15,21-26,28-30,32-38,41,43-44H,10,13,16-19H2,1-9H3/b12-11+,20-15+/t21-,22-,23+,24-,25+,26-,28-,29-,30+,32-,33-,34-,35-,36-,37+,38-/m1/s1
SMILES: COC1=C(C=C(C=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)C(=O)OC)O
InChI: InChI=1S/C29H23Cl2FN2O8/c1-41-20-10-3-13(11-19(20)35)22-16-8-9-17-21(24(37)34(23(17)36)27(40)42-2)18(16)12-28(30)25(38)33(26(39)29(22,28)31)15-6-4-14(32)5-7-15/h3-8,10-11,17-18,21-22,35H,9,12H2,1-2H3/t17-,18+,21-,22-,28+,29-/m0/s1
SMILES: CC(C)CC(=O)N1C[C@H]([C@H](N(C(=O)N1CC2=CC(=CC=C2)[N+](=O)[O-])CC3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4)O
InChI: InChI=1S/C30H33N5O7/c1-21(2)14-29(37)32-20-28(36)27(17-22-8-4-3-5-9-22)31(18-23-10-6-12-25(15-23)34(39)40)30(38)33(32)19-24-11-7-13-26(16-24)35(41)42/h3-13,15-16,21,27-28,36H,14,17-20H2,1-2H3/t27-,28-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O
InChI: InChI=1S/C19H27N5O15P2/c1-8-5-24(19(29)22-16(8)27)13-4-9(10(37-13)6-35-40(30,31)32)39-41(33,34)36-7-11-14(25)15(26)17(38-11)23-3-2-12(20)21-18(23)28/h2-3,5,9-11,13-15,17,25-26H,4,6-7H2,1H3,(H,33,34)(H2,20,21,28)(H,22,27,29)(H2,30,31,32)/t9-,10+,11+,13+,14+,15+,17+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)OC5CCCCO5)C)C
InChI: InChI=1S/C32H54O2/c1-22(2)9-8-10-23(3)27-14-15-28-26-13-12-24-21-25(34-30-11-6-7-20-33-30)16-18-31(24,4)29(26)17-19-32(27,28)5/h12,22-23,25-30H,6-11,13-21H2,1-5H3/t23-,25?,26+,27-,28+,29+,30?,31+,32-/m1/s1
SMILES: CC(=O)O[C@H]1[C@H]2C(C(=C)[C@]34[C@@]1([C@@H](C[C@H]3O4)C5=CCN(C5=O)C(=O)CCNN)C)[C@](C=CC(=O)O2)(C)[C@H]6CC(=O)OC6(C)C
InChI: InChI=1S/C31H39N3O9/c1-15-24-25(41-22(37)7-10-29(24,5)19-14-23(38)43-28(19,3)4)26(40-16(2)35)30(6)18(13-20-31(15,30)42-20)17-9-12-34(27(17)39)21(36)8-11-33-32/h7,9-10,18-20,24-26,33H,1,8,11-14,32H2,2-6H3/t18-,19-,20+,24?,25+,26-,29-,30+,31+/m0/s1
SMILES: COC1=CC=C(C=C1)CO[C@H]2C=C([C@H]([C@@H]2O)OCC=C)CO
InChI: InChI=1S/C17H22O5/c1-3-8-21-17-13(10-18)9-15(16(17)19)22-11-12-4-6-14(20-2)7-5-12/h3-7,9,15-19H,1,8,10-11H2,2H3/t15-,16+,17+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3
InChI: InChI=1S/C18H28N2O4S2/c1-15-7-3-4-8-18(15)19-25(21,22)16-9-11-17(12-10-16)26(23,24)20-13-5-2-6-14-20/h9-12,15,18-19H,2-8,13-14H2,1H3/t15-,18+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@]1(CCC2C4=CC(=O)OC4)O)CCC5=C[C@H](CC[C@]35C=O)OC6C(C(C(CO6)OC7C(C(C(C(O7)CO)O)O)O)O)O
InChI: InChI=1S/C34H48O14/c1-32-7-5-20-21(34(32,43)9-6-19(32)16-10-24(37)44-13-16)3-2-17-11-18(4-8-33(17,20)15-36)46-30-28(41)26(39)23(14-45-30)48-31-29(42)27(40)25(38)22(12-35)47-31/h10-11,15,18-23,25-31,35,38-43H,2-9,12-14H2,1H3/t18-,19?,20-,21+,22?,23?,25?,26?,27?,28?,29?,30?,31?,32+,33+,34-/m0/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)N2CC(=O)N[C@@H]3[C@@H]2CS(=O)(=O)C3
InChI: InChI=1S/C16H22N2O3S/c1-16(2,3)11-4-6-12(7-5-11)18-8-15(19)17-13-9-22(20,21)10-14(13)18/h4-7,13-14H,8-10H2,1-3H3,(H,17,19)/t13-,14-/m0/s1
SMILES: C1CC[C@@H]2C[C@H](CC[C@@H]2C1)/C(=C(\C(F)(F)F)/F)/F
InChI: InChI=1S/C13H17F5/c14-11(12(15)13(16,17)18)10-6-5-8-3-1-2-4-9(8)7-10/h8-10H,1-7H2/b12-11-/t8-,9+,10-/m0/s1
SMILES: C[C@H]1C[C@@H]1C2=CC=C(O2)/C=N\N3C(=O)[C@@](NC3=O)(C)C4=CC(=CC=C4)OC
InChI: InChI=1S/C20H21N3O4/c1-12-9-16(12)17-8-7-15(27-17)11-21-23-18(24)20(2,22-19(23)25)13-5-4-6-14(10-13)26-3/h4-8,10-12,16H,9H2,1-3H3,(H,22,25)/b21-11-/t12-,16-,20+/m0/s1
SMILES: CS(=O)(=O)NC(=O)CC[C@H]1CC[C@H]2CN[C@@H](C[C@H]2C1)C(=O)O
InChI: InChI=1S/C14H24N2O5S/c1-22(20,21)16-13(17)5-3-9-2-4-10-8-15-12(14(18)19)7-11(10)6-9/h9-12,15H,2-8H2,1H3,(H,16,17)(H,18,19)/t9-,10+,11-,12+/m1/s1
SMILES: CC(=O)[C@H]1CCC2[C@@]1(CCC3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,15,17-19,23H,6-12H2,1-3H3/t15-,17+,18?,19?,20-,21+/m0/s1
SMILES: C1CCC(CC1)N2[C@@H]3[C@@H](NC2=O)N(C(=O)N3)C4CCCCC4
InChI: InChI=1S/C16H26N4O2/c21-15-18-14-13(19(15)11-7-3-1-4-8-11)17-16(22)20(14)12-9-5-2-6-10-12/h11-14H,1-10H2,(H,17,22)(H,18,21)/t13-,14+
SMILES: C[C@H](CCC(=O)OC)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)OC(=O)C)C)O
InChI: InChI=1S/C29H46O7/c1-17(7-8-26(32)34-6)29(33)14-11-23-21-16-25(36-19(3)31)24-15-20(35-18(2)30)9-12-27(24,4)22(21)10-13-28(23,29)5/h17,20-25,33H,7-16H2,1-6H3/t17-,20-,21-,22+,23+,24+,25+,27-,28+,29+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]2C[C@@H]2C(=O)O[C@@H]3C[C@@H](CC[C@H]3C(C)C)C)C(C)C
InChI: InChI=1S/C25H42O4/c1-14(2)18-9-7-16(5)11-22(18)28-24(26)20-13-21(20)25(27)29-23-12-17(6)8-10-19(23)15(3)4/h14-23H,7-13H2,1-6H3/t16-,17-,18+,19+,20+,21+,22-,23-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)C2=CC=CC=C2Cl
InChI: InChI=1S/C17H22ClNO3/c1-11-7-3-6-10-15(11)19-16(20)12(2)22-17(21)13-8-4-5-9-14(13)18/h4-5,8-9,11-12,15H,3,6-7,10H2,1-2H3,(H,19,20)/t11-,12-,15+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C23H35N3O3/c1-16-5-4-6-20(17(16)2)24-23(27)18(3)26-11-9-25(10-12-26)14-19-7-8-21-22(13-19)29-15-28-21/h7-8,13,16-18,20H,4-6,9-12,14-15H2,1-3H3,(H,24,27)/t16-,17-,18-,20+/m1/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)CC4=CC=CC=C4)ON2C5=CC=CC=C5
InChI: InChI=1S/C28H28N2O3/c1-28(2,3)21-16-14-20(15-17-21)24-23-25(33-30(24)22-12-8-5-9-13-22)27(32)29(26(23)31)18-19-10-6-4-7-11-19/h4-17,23-25H,18H2,1-3H3/t23-,24-,25+/m1/s1
SMILES: COC(=O)C1=CN(N=N1)[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)C4=CC=CC=C4
InChI: InChI=1S/C17H18N4O5/c1-24-17(23)11-7-21(20-19-11)13-9-26-14-12(8-25-15(13)14)18-16(22)10-5-3-2-4-6-10/h2-7,12-15H,8-9H2,1H3,(H,18,22)/t12-,13-,14+,15+/m0/s1
SMILES: CC(C#CCCCCCC(=O)NCC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1C(CO)O)NC2=NC=NC3=C2NC=N3)O)O)C4=COC=C4
InChI: InChI=1S/C28H37N7O8/c1-16(17-9-10-42-13-17)7-5-3-2-4-6-8-19(38)29-11-20(39)34-21-23(40)24(41)28(43-25(21)18(37)12-36)35-27-22-26(31-14-30-22)32-15-33-27/h9-10,13-16,18,21,23-25,28,36-37,40-41H,2-4,6,8,11-12H2,1H3,(H,29,38)(H,34,39)(H2,30,31,32,33,35)/t16?,18?,21-,23-,24-,25+,28+/m1/s1
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)OC(=O)COC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3)C(C)C
InChI: InChI=1S/C26H32O4/c1-18(2)23-14-9-19(3)15-24(23)30-26(28)17-29-25(27)16-20-10-12-22(13-11-20)21-7-5-4-6-8-21/h4-8,10-13,18-19,23-24H,9,14-17H2,1-3H3/t19-,23-,24-/m1/s1
SMILES: COC1=CC=C(C=C1)C(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@H]3OC(=O)NC4=CC=CC=C4
InChI: InChI=1S/C21H22N2O6/c1-26-15-9-7-13(8-10-15)20(24)23-16-11-27-19-17(12-28-18(16)19)29-21(25)22-14-5-3-2-4-6-14/h2-10,16-19H,11-12H2,1H3,(H,22,25)(H,23,24)/t16-,17+,18+,19+/m0/s1
SMILES: CC1=CC2=C(C=C1)N=C(N=C2N[C@@H]3CCCC[C@@H]3N=C(N)N)NC(=O)C4=CC5=CC=CC=C5O4
InChI: InChI=1S/C25H27N7O2/c1-14-10-11-17-16(12-14)22(28-18-7-3-4-8-19(18)29-24(26)27)31-25(30-17)32-23(33)21-13-15-6-2-5-9-20(15)34-21/h2,5-6,9-13,18-19H,3-4,7-8H2,1H3,(H4,26,27,29)(H2,28,30,31,32,33)/t18-,19+/m1/s1
SMILES: CC([C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)OC)C)C)N(C)C
InChI: InChI=1S/C24H41NO/c1-16(25(4)5)20-9-10-21-19-8-7-17-15-18(26-6)11-13-23(17,2)22(19)12-14-24(20,21)3/h7,16,18-22H,8-15H2,1-6H3/t16?,18-,19?,20+,21?,22?,23-,24+/m0/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)[C@H](C)OC(=O)C)CN(C)CC=C
InChI: InChI=1S/C28H36N2O6/c1-6-15-30(5)16-25-18(2)26(22-9-7-21(17-31)8-10-22)36-28(35-25)23-11-13-24(14-12-23)29-27(33)19(3)34-20(4)32/h6-14,18-19,25-26,28,31H,1,15-17H2,2-5H3,(H,29,33)/t18-,19+,25+,26+,28+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CN)O[C@@]2([C@H]([C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)SC3=CC=CC=C3)C(=O)OC)O)(C(=O)OC)OCC[Si](C)(C)C)O
InChI: InChI=1S/C35H57N3O16SSi/c1-18(40)37-24-21(42)15-34(32(47)49-3,51-13-14-56(5,6)7)53-29(24)27(45)23(16-36)52-35(33(48)50-4)31(55-20-11-9-8-10-12-20)28(46)25(38-19(2)41)30(54-35)26(44)22(43)17-39/h8-12,21-31,39,42-46H,13-17,36H2,1-7H3,(H,37,40)(H,38,41)/t21-,22+,23+,24+,25+,26+,27+,28+,29+,30+,31-,34+,35+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CN2C(=O)[C@](NC2=O)(C)C3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C19H23Cl2N3O3/c1-11-5-3-4-6-15(11)22-16(25)10-24-17(26)19(2,23-18(24)27)13-8-7-12(20)9-14(13)21/h7-9,11,15H,3-6,10H2,1-2H3,(H,22,25)(H,23,27)/t11-,15-,19-/m0/s1
SMILES: CCCCC(=O)O[C@@H]1CC[C@H]2[C@@]1(CC[C@H]3[C@@H]2CCC4=C3C=CC(=C4)OCC5=CC=CC=C5F)C
InChI: InChI=1S/C30H37FO3/c1-3-4-9-29(32)34-28-15-14-26-25-12-10-20-18-22(33-19-21-7-5-6-8-27(21)31)11-13-23(20)24(25)16-17-30(26,28)2/h5-8,11,13,18,24-26,28H,3-4,9-10,12,14-17,19H2,1-2H3/t24-,25+,26-,28-,30+/m1/s1
SMILES: CC1=C[C@@H](OC1=O)O/C=C/2\[C@@H]3CC4=C([C@@H]3OC2=O)C=C(C=C4)NC(=O)CNC(=O)OC(C)(C)C
InChI: InChI=1S/C24H26N2O8/c1-12-7-19(32-21(12)28)31-11-17-16-8-13-5-6-14(9-15(13)20(16)33-22(17)29)26-18(27)10-25-23(30)34-24(2,3)4/h5-7,9,11,16,19-20H,8,10H2,1-4H3,(H,25,30)(H,26,27)/b17-11+/t16-,19+,20-/m0/s1
SMILES: COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@H]6C(=O)N(C(=O)[C@]6([C@H]5C=CC7=CC(=C(C(=C7)OC)O)OC)C8=CC=C(C=C8)Cl)NC9=CC=C(C=C9)F
InChI: InChI=1S/C52H45ClFN3O9/c1-63-37-20-24-43(64-2)31(27-37)9-5-29-6-18-36(19-7-29)56-48(59)39-22-21-38-40(46(39)50(56)61)28-42-49(60)57(55-35-16-14-34(54)15-17-35)51(62)52(42,32-10-12-33(53)13-11-32)41(38)23-8-30-25-44(65-3)47(58)45(26-30)66-4/h5-21,23-27,39-42,46,55,58H,22,28H2,1-4H3/t39-,40+,41-,42-,46-,52-/m0/s1
SMILES: C1=CC=C(C=C1)CN2C(=O)[C@@H]3[C@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C24H19ClN2O3/c25-18-13-11-17(12-14-18)21-20-22(30-27(21)19-9-5-2-6-10-19)24(29)26(23(20)28)15-16-7-3-1-4-8-16/h1-14,20-22H,15H2/t20-,21-,22-/m1/s1
SMILES: COC1=CC=CC(=C1)N2[C@H]3CS(=O)(=O)C[C@@H]3N(C2=O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C18H17ClN2O4S/c1-25-15-4-2-3-14(9-15)21-17-11-26(23,24)10-16(17)20(18(21)22)13-7-5-12(19)6-8-13/h2-9,16-17H,10-11H2,1H3/t16-,17-/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC(=N3)C(=O)N)CN=[N+]=[N-])C
InChI: InChI=1S/C11H15N7O4/c1-11(2)21-6-5(3-15-17-13)20-10(7(6)22-11)18-4-14-9(16-18)8(12)19/h4-7,10H,3H2,1-2H3,(H2,12,19)/t5-,6-,7-,10-/m1/s1
SMILES: CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)CCN3CC(CC(C3)C)C)C)CNN4CC(CC(C4)C)C
InChI: InChI=1S/C44H78N4O8/c1-11-38-35(22-45-48-25-29(4)19-30(5)26-48)14-12-13-15-36(49)31(6)20-34(16-17-47-23-27(2)18-28(3)24-47)43(32(7)37(50)21-39(51)55-38)56-44-42(53)40(46(9)10)41(52)33(8)54-44/h12-15,27-35,37-38,40-45,50,52-53H,11,16-26H2,1-10H3/b14-12+,15-13+/t27?,28?,29?,30?,31-,32+,33?,34+,35-,37-,38-,40?,41?,42?,43-,44?/m1/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])N.Cl
InChI: InChI=1S/C6H10N2O5.ClH/c7-3-1-11-6-4(13-8(9)10)2-12-5(3)6;/h3-6H,1-2,7H2;1H/t3-,4-,5+,6+;/m0./s1
SMILES: CCOC(=O)[C@@H]1CCC[C@@H]1N(CC2=CC=CC=C2)C(=S)NC3=CC=CC=C3
InChI: InChI=1S/C22H26N2O2S/c1-2-26-21(25)19-14-9-15-20(19)24(16-17-10-5-3-6-11-17)22(27)23-18-12-7-4-8-13-18/h3-8,10-13,19-20H,2,9,14-16H2,1H3,(H,23,27)/t19-,20+/m1/s1
SMILES: CC(=O)O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CCO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)CN=[N+]=[N-]
InChI: InChI=1S/C29H36N6O5Si/c1-20(36)39-26-23(19-32-34-31)24(40-27(26)35-17-15-25(30)33-28(35)37)16-18-38-41(29(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-15,17,23-24,26-27H,16,18-19H2,1-4H3,(H2,30,33,37)/t23-,24-,26-,27-/m1/s1
SMILES: C[C@@H]1CC[C@H](O[C@H]1CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)/C=C/[C@@H](C)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C34H42O4Si/c1-26-21-23-29(24-22-27(2)37-33(35)28-15-9-6-10-16-28)38-32(26)25-36-39(34(3,4)5,30-17-11-7-12-18-30)31-19-13-8-14-20-31/h6-20,22,24,26-27,29,32H,21,23,25H2,1-5H3/b24-22+/t26-,27-,29+,32+/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](N(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])[C@@H]5CCN(C5)C(=O)OCC6=CC=C(C=C6)[N+](=O)[O-])C(=O)OCC7=CC=C(C=C7)[N+](=O)[O-])[C@@H](C)O
InChI: InChI=1S/C41H42N6O14S/c1-23-35-34(24(2)48)38(49)44(35)36(39(50)59-20-25-3-9-29(10-4-25)45(53)54)37(23)62-32-17-33(43(19-32)41(52)61-22-27-7-13-31(14-8-27)47(57)58)28-15-16-42(18-28)40(51)60-21-26-5-11-30(12-6-26)46(55)56/h3-14,23-24,28,32-35,48H,15-22H2,1-2H3/t23-,24-,28-,32+,33+,34-,35-/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@@H]2[C@@]3(C4=CC=CC=C4NC3=O)C(=NO2)C5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C23H15N3O5/c27-19(14-6-2-1-3-7-14)21-23(17-8-4-5-9-18(17)24-22(23)28)20(25-31-21)15-10-12-16(13-11-15)26(29)30/h1-13,21H,(H,24,28)/t21-,23-/m1/s1
SMILES: CC1CCC(=O)N1[C@H]2C[C@H]3CC[C@@]2(C3(C)C)CS(=O)(=O)N4CCC5(CCC6=CC=CC=C65)CC4
InChI: InChI=1S/C28H40N2O3S/c1-20-8-9-25(31)30(20)24-18-22-11-13-28(24,26(22,2)3)19-34(32,33)29-16-14-27(15-17-29)12-10-21-6-4-5-7-23(21)27/h4-7,20,22,24H,8-19H2,1-3H3/t20?,22-,24+,28-/m1/s1
SMILES: CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CCNCCC3=CC=CC=C3)C)\C)CO
InChI: InChI=1S/C39H62N2O9/c1-8-33-30(23-42)20-24(2)14-15-31(43)25(3)21-29(17-19-40-18-16-28-12-10-9-11-13-28)38(26(4)32(44)22-34(45)49-33)50-39-37(47)35(41(6)7)36(46)27(5)48-39/h9-15,20,25-27,29-30,32-33,35-40,42,44,46-47H,8,16-19,21-23H2,1-7H3/b15-14+,24-20+/t25-,26+,27-,29+,30-,32-,33-,35+,36-,37-,38-,39+/m1/s1
SMILES: CC1=NC(=CC=C1)COC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOCC5=CC=CC=C5)C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)N(CC7=CC=CC8=CC=CC=C87)C(=O)OC9=CC=C(C=C9)[N+](=O)[O-])OCC=C
InChI: InChI=1S/C59H62N4O10/c1-3-33-70-59-55(62(37-44-21-14-20-42-18-7-8-23-49(42)44)58(66)72-47-27-25-46(26-28-47)63(67)68)36-53(61-71-38-41-16-5-4-6-17-41)51-34-43(19-9-11-31-64)50(24-10-12-32-65)56(57(51)59)52-35-48(29-30-54(52)73-59)69-39-45-22-13-15-40(2)60-45/h3-8,13-18,20-23,25-30,34-35,43,50,55-57,64-65H,1,9-12,19,24,31-33,36-39H2,2H3/t43-,50+,55-,56+,57+,59+/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO)O
InChI: InChI=1S/C16H24N2O11/c19-3-8-7(21)1-10(28-8)18-2-6(14(25)17-16(18)26)5-27-15-13(24)12(23)11(22)9(4-20)29-15/h2,7-13,15,19-24H,1,3-5H2,(H,17,25,26)/t7-,8+,9+,10+,11+,12-,13+,15+/m0/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC3=C([C@H]2CC(=O)NCC4=CC=C(C=C4)OC)N=C(S3)NCC5=CC=CC=C5)(C)CO)O
InChI: InChI=1S/C31H39N3O4S/c1-30-14-13-26(36)31(2,19-35)25(30)16-24-28(34-29(39-24)33-18-20-7-5-4-6-8-20)23(30)15-27(37)32-17-21-9-11-22(38-3)12-10-21/h4-12,23,25-26,35-36H,13-19H2,1-3H3,(H,32,37)(H,33,34)/t23-,25+,26-,30+,31+/m1/s1
SMILES: C=CCN1C(=NN(C1=S)[C@@H]2CC([C@@H]3OC[C@H]2O3)(O)O)C4=CC=CO4
InChI: InChI=1S/C15H17N3O5S/c1-2-5-17-12(10-4-3-6-21-10)16-18(14(17)24)9-7-15(19,20)13-22-8-11(9)23-13/h2-4,6,9,11,13,19-20H,1,5,7-8H2/t9-,11-,13-/m1/s1
SMILES: CCCCN1[C@@H]([C@H](CCC1=O)C(=O)OCC(=O)NCCC#N)C2=CC=C(C=C2)OC
InChI: InChI=1S/C22H29N3O5/c1-3-4-14-25-20(27)11-10-18(21(25)16-6-8-17(29-2)9-7-16)22(28)30-15-19(26)24-13-5-12-23/h6-9,18,21H,3-5,10-11,13-15H2,1-2H3,(H,24,26)/t18-,21+/m0/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)NC2=CC(=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)Cl)C)C5=CC=CC6=C5CC7=CC=CC=C76)CCCO
InChI: InChI=1S/C39H35ClN2O6/c1-3-47-39-30(12-7-17-43)32(28-11-6-10-27-26-9-5-4-8-23(26)19-31(27)28)21-35(48-39)36(44)41-25-14-16-34(22(2)18-25)42-37(45)29-15-13-24(40)20-33(29)38(42)46/h4-6,8-11,13-16,18,20-21,30,32,39,43H,3,7,12,17,19H2,1-2H3,(H,41,44)/t30-,32+,39+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CC(=O)C3=C(N(C(=C3)C)C(C)C)C
InChI: InChI=1S/C21H29N3O4/c1-12(2)23-14(4)10-16(15(23)5)18(25)11-22-19(26)20(27)24(21(22)28)17-9-7-6-8-13(17)3/h10,12-13,17H,6-9,11H2,1-5H3/t13-,17-/m0/s1
SMILES: CCN(CC)/C(=C/C[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=C4)OC)C)C)O)/C#N
InChI: InChI=1S/C28H42N2O2/c1-6-30(7-2)21(19-29)10-16-28(31)17-13-25-23-9-8-20-18-22(32-5)11-14-26(20,3)24(23)12-15-27(25,28)4/h8,10,18,23-25,31H,6-7,9,11-17H2,1-5H3/b21-10+/t23-,24+,25+,26+,27+,28+/m1/s1
SMILES: C1=CC=C(C=C1)CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)[N+](=O)[O-]
InChI: InChI=1S/C39H38N6O6/c46-45(47)34-36(50-24-31-19-11-4-12-20-31)35(49-23-30-17-9-3-10-18-30)32(25-48-22-29-15-7-2-8-16-29)51-39(34)44-27-43-33-37(41-26-42-38(33)44)40-21-28-13-5-1-6-14-28/h1-20,26-27,32,34-36,39H,21-25H2,(H,40,41,42)/t32-,34-,35+,36-,39-/m1/s1
SMILES: C1CC=C2[C@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CS3)CN4CCOCC4
InChI: InChI=1S/C22H23N5OS/c23-10-18-16-3-1-2-4-17(16)20(22(13-24,14-25)21(18)26)19-9-15(12-29-19)11-27-5-7-28-8-6-27/h3,9,12,17,20H,1-2,4-8,11,26H2/t17-,20+/m0/s1
SMILES: CC1=C(N2C=CC3=C(C2=N1)O[C@@H]([C@H](C3(F)F)OC)C4=CC=CC=C4)C
InChI: InChI=1S/C19H18F2N2O2/c1-11-12(2)23-10-9-14-16(18(23)22-11)25-15(13-7-5-4-6-8-13)17(24-3)19(14,20)21/h4-10,15,17H,1-3H3/t15-,17-/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=C5)F)O)C(=O)N(C4=O)C6=CC=C(C=C6)N7CCOCC7)C(=O)N(C2=O)C8=CC=CC=C8
InChI: InChI=1S/C37H34FN3O6/c1-37-28(34(44)41(36(37)46)22-6-3-2-4-7-22)20-27-24(31(37)26-8-5-9-29(38)32(26)42)14-15-25-30(27)35(45)40(33(25)43)23-12-10-21(11-13-23)39-16-18-47-19-17-39/h2-14,25,27-28,30-31,42H,15-20H2,1H3/t25-,27+,28-,30-,31+,37+/m0/s1
SMILES: CC1=C(C(=O)C[C@H]1O)[C@@H]2[C@H](C(=C)C(=O)O2)[C@H](CC(=O)C)O
InChI: InChI=1S/C15H18O6/c1-6(16)4-10(18)13-8(3)15(20)21-14(13)12-7(2)9(17)5-11(12)19/h9-10,13-14,17-18H,3-5H2,1-2H3/t9-,10+,13-,14-/m1/s1
SMILES: CC(C)(C)OC(=O)CO[C@@H]1CO[C@H](O[C@H]1C=C)C2=CC=C(C=C2)OC
InChI: InChI=1S/C19H26O6/c1-6-15-16(22-12-17(20)25-19(2,3)4)11-23-18(24-15)13-7-9-14(21-5)10-8-13/h6-10,15-16,18H,1,11-12H2,2-5H3/t15-,16+,18+/m0/s1
SMILES: CCC(C)C(C(C)C(=O)O[C@H]1C=COC=C2[C@@H]1N3C(=O)[C@]45CC6=COC=C[C@@H]([C@H]6N4C(=O)[C@@]3(C2)SSSS5)OC(=O)C(C)C(C(C)CC)O)O
InChI: InChI=1S/C34H44N2O10S4/c1-7-17(3)27(37)19(5)29(39)45-23-9-11-43-15-21-13-33-32(42)36-26-22(14-34(36,48-50-49-47-33)31(41)35(33)25(21)23)16-44-12-10-24(26)46-30(40)20(6)28(38)18(4)8-2/h9-12,15-20,23-28,37-38H,7-8,13-14H2,1-6H3/t17?,18?,19?,20?,23-,24-,25-,26-,27?,28?,33+,34+/m0/s1
SMILES: C1CN2[C@@H](CC1=O)[C@H]3C[C@@H](C2=O)CN(C3)CC4=CC=CC=C4
InChI: InChI=1S/C18H22N2O2/c21-16-6-7-20-17(9-16)14-8-15(18(20)22)12-19(11-14)10-13-4-2-1-3-5-13/h1-5,14-15,17H,6-12H2/t14-,15+,17-/m0/s1
SMILES: CC(C)(C)[Si]1(O[C@H]2C[C@@H](ON3[C@H]2[C@@H](O1)[C@H](O3)[C@@H](CO[Si](C)(C)C(C)(C)C)O)O[C@H]4CCCC[C@@H]4C5=CC=CC=C5)C(C)(C)C
InChI: InChI=1S/C34H59NO7Si2/c1-32(2,3)43(10,11)37-22-25(36)30-31-29-27(41-44(42-31,33(4,5)6)34(7,8)9)21-28(39-35(29)40-30)38-26-20-16-15-19-24(26)23-17-13-12-14-18-23/h12-14,17-18,24-31,36H,15-16,19-22H2,1-11H3/t24-,25-,26+,27+,28-,29-,30-,31-/m1/s1
SMILES: C[C@H]1[C@@H]2C=CC=C[C@H]([C@H]1[C@@H]3C(=O)C=C[C@@H](O3)O[Si](C)(C)C(C)(C)C)O2
InChI: InChI=1S/C20H30O4Si/c1-13-15-9-7-8-10-16(22-15)18(13)19-14(21)11-12-17(23-19)24-25(5,6)20(2,3)4/h7-13,15-19H,1-6H3/t13-,15-,16+,17-,18-,19-/m0/s1
SMILES: CC(C(=O)[C@@]12CC[C@]3([C@@]1(CCC4=C5CCC(=O)C=C5CCC43)C)C=C2)O
InChI: InChI=1S/C23H28O3/c1-14(24)20(26)23-11-9-22(10-12-23)19-6-3-15-13-16(25)4-5-17(15)18(19)7-8-21(22,23)2/h9,11,13-14,19,24H,3-8,10,12H2,1-2H3/t14?,19?,21-,22+,23+/m0/s1
SMILES: CC[C@H]1CN(CC[C@H]1CC(=O)NCCN2CCCCC2)C(=O)NC3=CC=CC(=C3)C(=O)OCC
InChI: InChI=1S/C26H40N4O4/c1-3-20-19-30(26(33)28-23-10-8-9-22(17-23)25(32)34-4-2)15-11-21(20)18-24(31)27-12-16-29-13-6-5-7-14-29/h8-10,17,20-21H,3-7,11-16,18-19H2,1-2H3,(H,27,31)(H,28,33)/t20-,21-/m0/s1
SMILES: C[C@@H]1CC2C3CCC4=CC(=O)C=CC4([C@]3(C(CC2([C@]1(C(=O)COC(=O)C5=CC=CN(C5)C)O)C)O)F)C
InChI: InChI=1S/C29H36FNO6/c1-17-12-22-21-8-7-19-13-20(32)9-10-26(19,2)28(21,30)23(33)14-27(22,3)29(17,36)24(34)16-37-25(35)18-6-5-11-31(4)15-18/h5-6,9-11,13,17,21-23,33,36H,7-8,12,14-16H2,1-4H3/t17-,21?,22?,23?,26?,27?,28+,29+/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=C(C=C(C=C7OC)O)OC)C(=O)N(C5=O)CCC(=O)O
InChI: InChI=1S/C38H37N3O9/c1-20-9-11-22(12-10-20)39-41-35(46)27-19-26-24(13-14-25-31(26)36(47)40(34(25)45)16-15-30(43)44)33(32-28(49-2)17-23(42)18-29(32)50-3)38(27,37(41)48)21-7-5-4-6-8-21/h4-13,17-18,25-27,31,33,39,42H,14-16,19H2,1-3H3,(H,43,44)/t25-,26+,27-,31-,33+,38+/m0/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)OCCOC(=O)C(=C)C)O)OC2CCCCO2)OC3CCCCO3
InChI: InChI=1S/C36H58O9/c1-4-5-8-15-28(44-34-18-11-13-22-41-34)20-21-30-29(31(37)26-32(30)45-35-19-12-14-23-42-35)16-9-6-7-10-17-33(38)40-24-25-43-36(39)27(2)3/h6,9,20-21,28-32,34-35,37H,2,4-5,7-8,10-19,22-26H2,1,3H3/b9-6-,21-20+/t28-,29+,30+,31-,32+,34?,35?/m0/s1
SMILES: COC(=O)[C@H]1[C@H](C(=C(NC1=O)SC)C#N)C2=CC=CC=C2[N+](=O)[O-]
InChI: InChI=1S/C15H13N3O5S/c1-23-15(20)12-11(8-5-3-4-6-10(8)18(21)22)9(7-16)14(24-2)17-13(12)19/h3-6,11-12H,1-2H3,(H,17,19)/t11-,12-/m0/s1
SMILES: CCCN1C=C(C(=N1)C2CCN(CC2)C[C@H]3CN(C[C@@H]3C4=CC=CC=C4)[C@H](C5CCCCC5)C(=O)O)CCC6=CC=CC=C6
InChI: InChI=1S/C38H52N4O2/c1-2-22-42-27-33(19-18-29-12-6-3-7-13-29)36(39-42)31-20-23-40(24-21-31)25-34-26-41(28-35(34)30-14-8-4-9-15-30)37(38(43)44)32-16-10-5-11-17-32/h3-4,6-9,12-15,27,31-32,34-35,37H,2,5,10-11,16-26,28H2,1H3,(H,43,44)/t34-,35+,37+/m0/s1
SMILES: CO[C@@H]1[C@H]([C@H](CCO1)NC(=O)OC23CC4CC(C2)CC(C4)C3)N
InChI: InChI=1S/C17H28N2O4/c1-21-15-14(18)13(2-3-22-15)19-16(20)23-17-7-10-4-11(8-17)6-12(5-10)9-17/h10-15H,2-9,18H2,1H3,(H,19,20)/t10?,11?,12?,13-,14-,15-,17?/m0/s1
SMILES: CCCCNC1=NC(=O)N(C=N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C12H20N4O5/c1-2-3-4-13-11-14-6-16(12(20)15-11)10-9(19)8(18)7(5-17)21-10/h6-10,17-19H,2-5H2,1H3,(H,13,15,20)/t7-,8-,9-,10-/m1/s1
SMILES: C[C@H]1CCC/C(=C\C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C2=CSC(=N2)C)/C)/C.C1CC(C1)(C(=O)[O-])C(=O)[O-].N.N.[Pt+2]
InChI: InChI=1S/C27H41NO5S.C6H8O4.2H3N.Pt/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21;7-4(8)6(5(9)10)2-1-3-6;;;/h11,13,15,17,19,22-23,25,29,31H,8-10,12,14H2,1-7H3;1-3H2,(H,7,8)(H,9,10);2*1H3;/q;;;;+2/p-2/b16-11-,18-13+;;;;/t17-,19+,22-,23-,25-;;;;/m0..../s1
SMILES: C1[C@@H]2[C@@H]([C@H](OC(O2)C3=CC=CC=C3)[C@@H](CO)O)OC(O1)C4=CC=CC=C4
InChI: InChI=1S/C20H22O6/c21-11-15(22)17-18-16(24-20(25-17)14-9-5-2-6-10-14)12-23-19(26-18)13-7-3-1-4-8-13/h1-10,15-22H,11-12H2/t15-,16-,17-,18+,19?,20?/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@]2(C(C1(C)C)CCC3=C2CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C6OCCO6)C)C)C)C
InChI: InChI=1S/C34H54O4/c1-22(35)38-27-12-13-32(6)23-11-14-34(8)26-21-31(5,28-36-19-20-37-28)16-15-30(26,4)17-18-33(34,7)24(23)9-10-25(32)29(27,2)3/h25-28H,9-21H2,1-8H3/t25?,26-,27+,30-,31-,32-,33-,34+/m1/s1
SMILES: C[C@@H]1CCC/C=C/C[C@H](OC(=O)C[C@@H](C(C(=O)[C@H]([C@H]1O)C)(C)C)O)/C(=C/C2=CSC(=N2)C)/C
InChI: InChI=1S/C26H39NO5S/c1-16-11-9-7-8-10-12-21(17(2)13-20-15-33-19(4)27-20)32-23(29)14-22(28)26(5,6)25(31)18(3)24(16)30/h8,10,13,15-16,18,21-22,24,28,30H,7,9,11-12,14H2,1-6H3/b10-8+,17-13+/t16-,18+,21+,22+,24+/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=C(C(=C5)Cl)O)OC)C(=O)N(C4=O)CCCC(=O)O)C(=O)N(C2=O)C6=CC(=C(C=C6)F)Cl
InChI: InChI=1S/C32H29Cl2FN2O8/c1-32-19(29(42)37(31(32)44)15-5-8-22(35)20(33)12-15)13-18-16(26(32)14-10-21(34)27(40)23(11-14)45-2)6-7-17-25(18)30(43)36(28(17)41)9-3-4-24(38)39/h5-6,8,10-12,17-19,25-26,40H,3-4,7,9,13H2,1-2H3,(H,38,39)/t17-,18+,19-,25-,26-,32+/m0/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)OCC3=C(C=CC(=C3)F)OC
InChI: InChI=1S/C19H23FN2O5/c1-12-5-3-4-8-19(12)17(24)22(18(25)21-19)10-16(23)27-11-13-9-14(20)6-7-15(13)26-2/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H,21,25)/t12-,19-/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2/C(=N\P(=O)(C3=CC=CC=C3)C4=CC=CC=C4)/[C@@H]5[C@H](O2)OC(O5)(C)C)C
InChI: InChI=1S/C24H28NO6P/c1-23(2)27-15-18(29-23)20-19(21-22(28-20)31-24(3,4)30-21)25-32(26,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,18,20-22H,15H2,1-4H3/b25-19+/t18-,20-,21-,22-/m1/s1