EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=C([C@H]2[C@@H]3CO[C@]2(C(=O)[C@H]1[C@@H]3C4=CC=CC=C4)OC)OC(=O)C
InChI: InChI=1S/C19H20O5/c1-10-14-15(12-7-5-4-6-8-12)13-9-23-19(22-3,18(14)21)16(13)17(10)24-11(2)20/h4-8,13-16H,9H2,1-3H3/t13-,14-,15-,16-,19-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)C2=C(N=C(S2)C3=CC=CC=C3)C
InChI: InChI=1S/C21H25N3O4S/c1-13-8-6-7-11-16(13)23-21(27)24-17(25)12-28-20(26)18-14(2)22-19(29-18)15-9-4-3-5-10-15/h3-5,9-10,13,16H,6-8,11-12H2,1-2H3,(H2,23,24,25,27)/t13-,16-/m0/s1
SMILES: CN([C@H]1[C@@H](CCC2=C1C=CC=C2OC(=O)C3=CC=CC=C3)N4CCCC4)C(=O)CC5=CC(=C(C=C5)Cl)Cl
InChI: InChI=1S/C30H30Cl2N2O3/c1-33(28(35)19-20-12-14-24(31)25(32)18-20)29-23-10-7-11-27(37-30(36)21-8-3-2-4-9-21)22(23)13-15-26(29)34-16-5-6-17-34/h2-4,7-12,14,18,26,29H,5-6,13,15-17,19H2,1H3/t26-,29-/m1/s1
SMILES: COC1=C(C=CC(=C1O)O)[C@@H]2[C@H](C(=CC3=C(C(=C(C=C23)O)O)OC)C(=O)OC)C(=O)OC
InChI: InChI=1S/C22H22O10/c1-29-19-9(5-6-13(23)17(19)25)15-10-8-14(24)18(26)20(30-2)11(10)7-12(21(27)31-3)16(15)22(28)32-4/h5-8,15-16,23-26H,1-4H3/t15-,16-/m0/s1
SMILES: C1C[C@H]2CN[C@@H](C[C@H]2C[C@H]1CSC3=NC=NN3)C(=O)O
InChI: InChI=1S/C13H20N4O2S/c18-12(19)11-4-10-3-8(1-2-9(10)5-14-11)6-20-13-15-7-16-17-13/h7-11,14H,1-6H2,(H,18,19)(H,15,16,17)/t8-,9-,10+,11-/m0/s1
SMILES: COC1=CC(=CC2=C1O[C@H]3[C@@H]2C(=C[C@H]([C@@H]3O)N(CCN4CCOCC4)C(=O)C5CC5)C(=O)NCCO)C=O
InChI: InChI=1S/C27H35N3O8/c1-36-21-13-16(15-32)12-18-22-19(26(34)28-4-9-31)14-20(23(33)25(22)38-24(18)21)30(27(35)17-2-3-17)6-5-29-7-10-37-11-8-29/h12-15,17,20,22-23,25,31,33H,2-11H2,1H3,(H,28,34)/t20-,22+,23+,25+/m1/s1
SMILES: CC1=C(N2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=N1)C)[C@@H]5[C@H](OC(=O)O5)[C@@H](C(=O)OC)NC(=O)OC
InChI: InChI=1S/C24H24N6O8/c1-12-15(18-17(37-24(34)38-18)14(21(32)35-3)27-23(33)36-4)30-20(31)16-19(28(2)22(30)26-12)25-11-29(16)10-13-8-6-5-7-9-13/h5-9,11,14,17-18H,10H2,1-4H3,(H,27,33)/t14-,17+,18+/m0/s1
SMILES: COC(=O)[C@@H]1CS[C@H]2N1C(=O)[C@H]([C@H]([C@@H]([C@H]2O)O)O)O
InChI: InChI=1S/C10H15NO7S/c1-18-10(17)3-2-19-9-7(15)5(13)4(12)6(14)8(16)11(3)9/h3-7,9,12-15H,2H2,1H3/t3-,4-,5-,6-,7+,9+/m0/s1
SMILES: C1C=C[C@@H]2[C@@H]1[C@@H](NC3=C2C4=CC=CC=C4C=C3)C5=C(C=C(C=C5)Cl)Cl
InChI: InChI=1S/C22H17Cl2N/c23-14-9-10-18(19(24)12-14)22-17-7-3-6-16(17)21-15-5-2-1-4-13(15)8-11-20(21)25-22/h1-6,8-12,16-17,22,25H,7H2/t16-,17-,22-/m1/s1
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O)O)O
InChI: InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h1,4-12,14-21H,2-3H2/t4-,5+,6+,7+,8-,9-,10+,11+,12-/m0/s1
SMILES: CN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@]4(C(=O)N(C(=O)[C@]4([C@H]3C5=C(C=CC(=C5)OC)O)Cl)C6=CC=C(C=C6)F)Cl
InChI: InChI=1S/C28H23Cl2FN2O6/c1-32-23(35)17-9-8-16-19(21(17)24(32)36)12-27(29)25(37)33(14-5-3-13(31)4-6-14)26(38)28(27,30)22(16)18-11-15(39-2)7-10-20(18)34/h3-8,10-11,17,19,21-22,34H,9,12H2,1-2H3/t17-,19+,21-,22+,27+,28-/m0/s1
SMILES: CCO[C@H]1O[C@H]2[C@@H](O[C@@H]([C@H]2O1)N3C=NC4=C(N=CN=C43)N)CO
InChI: InChI=1S/C13H17N5O5/c1-2-20-13-22-8-6(3-19)21-12(9(8)23-13)18-5-17-7-10(14)15-4-16-11(7)18/h4-6,8-9,12-13,19H,2-3H2,1H3,(H2,14,15,16)/t6-,8-,9-,12-,13-/m0/s1
SMILES: CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)O)C2=CC(=C(C=C2)OC)OC
InChI: InChI=1S/C18H25NO6/c1-18(2,3)25-17(22)19-9-12(13(10-19)16(20)21)11-6-7-14(23-4)15(8-11)24-5/h6-8,12-13H,9-10H2,1-5H3,(H,20,21)/t12-,13+/m0/s1
SMILES: CCCCCCCC(=O)N(C[C@H]1CCCO1)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)C=O)C(=O)NCCO
InChI: InChI=1S/C30H42N2O8/c1-3-4-5-6-7-10-25(35)32(17-20-9-8-13-39-20)23-16-22(30(37)31-11-12-33)26-21-14-19(18-34)15-24(38-2)28(21)40-29(26)27(23)36/h14-16,18,20,23,26-27,29,33,36H,3-13,17H2,1-2H3,(H,31,37)/t20-,23-,26+,27+,29+/m1/s1
SMILES: CCCCCCCCC/C=C\C[C@@H]1[C@@H](CC[C@@H](O1)[C@@H](/C=C/I)O[Si](C)(C)C(C)(C)C)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C42H67IO3Si2/c1-10-11-12-13-14-15-16-17-18-25-30-37-39(32-31-38(44-37)40(33-34-43)45-47(8,9)41(2,3)4)46-48(42(5,6)7,35-26-21-19-22-27-35)36-28-23-20-24-29-36/h18-29,33-34,37-40H,10-17,30-32H2,1-9H3/b25-18-,34-33+/t37-,38-,39-,40-/m1/s1
SMILES: C1C[C@@]2([C@H]3CN(C[C@]3([C@H]1C4=CC=CC=C42)C(=O)O)C(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57)C8=CC=CC=C8
InChI: InChI=1S/C36H31NO4/c38-33(39)36-22-37(34(40)41-21-29-26-14-6-4-12-24(26)25-13-5-7-15-27(25)29)20-32(36)35(23-10-2-1-3-11-23)19-18-31(36)28-16-8-9-17-30(28)35/h1-17,29,31-32H,18-22H2,(H,38,39)/t31-,32-,35-,36-/m1/s1
SMILES: C1COC2=C(O1)C=CC(=C2)NC(=O)[C@H]3[C@H]4C=C[C@@H]([C@@H]3C(=O)O)O4
InChI: InChI=1S/C16H15NO6/c18-15(13-10-3-4-11(23-10)14(13)16(19)20)17-8-1-2-9-12(7-8)22-6-5-21-9/h1-4,7,10-11,13-14H,5-6H2,(H,17,18)(H,19,20)/t10-,11+,13+,14+/m1/s1
SMILES: CC(C)C[C@@H](C(=O)O)NC[C@@H]1[C@H](CC[C@@H](O1)CNC(=O)[C@H](CSSC(C)(C)C)N)O
InChI: InChI=1S/C20H39N3O5S2/c1-12(2)8-15(19(26)27)22-10-17-16(24)7-6-13(28-17)9-23-18(25)14(21)11-29-30-20(3,4)5/h12-17,22,24H,6-11,21H2,1-5H3,(H,23,25)(H,26,27)/t13-,14+,15+,16+,17-/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)C4=CC=CC(=C4)CNC(=O)C(Cl)(Cl)Cl)CN5CCC[C@H]5COC
InChI: InChI=1S/C34H39Cl3N2O5/c1-22-30(19-39-16-4-7-29(39)21-42-2)43-32(44-31(22)26-10-8-23(20-40)9-11-26)27-14-12-25(13-15-27)28-6-3-5-24(17-28)18-38-33(41)34(35,36)37/h3,5-6,8-15,17,22,29-32,40H,4,7,16,18-21H2,1-2H3,(H,38,41)/t22-,29+,30+,31+,32+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]2C[C@@]2([Si](C)(C)C)P(=S)(N(C(C)C)C(C)C)N(C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C29H59N2O2PSSi/c1-19(2)25-16-15-24(11)17-27(25)33-28(32)26-18-29(26,36(12,13)14)34(35,30(20(3)4)21(5)6)31(22(7)8)23(9)10/h19-27H,15-18H2,1-14H3/t24-,25+,26-,27-,29+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CSC2=NC=NC3=C2C4=C(S3)CCC4
InChI: InChI=1S/C19H24N4O2S2/c1-11-5-2-3-7-13(11)22-19(25)23-15(24)9-26-17-16-12-6-4-8-14(12)27-18(16)21-10-20-17/h10-11,13H,2-9H2,1H3,(H2,22,23,24,25)/t11-,13+/m1/s1
SMILES: CCCCN1[C@H]([C@H](CCC1=O)C(=O)OCC(=O)[C@H](C#N)C(=N)C)C2=CC=CC=C2OC
InChI: InChI=1S/C23H29N3O5/c1-4-5-12-26-21(28)11-10-17(22(26)16-8-6-7-9-20(16)30-3)23(29)31-14-19(27)18(13-24)15(2)25/h6-9,17-18,22,25H,4-5,10-12,14H2,1-3H3/t17-,18+,22-/m0/s1
SMILES: CCCC(=O)N(CC1=C(C=C(C=C1)Cl)Cl)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=CC=CC=C3I)C(=O)NCCO
InChI: InChI=1S/C26H29Cl2IN2O5/c1-2-5-24(33)31(15-16-8-9-18(27)14-19(16)28)21-12-17(26(35)30-10-11-32)13-23(25(21)34)36-22-7-4-3-6-20(22)29/h3-4,6-9,13-14,21,23,25,32,34H,2,5,10-12,15H2,1H3,(H,30,35)/t21-,23+,25+/m1/s1
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@@H]([C@H](C(O3)(C)C)OC)O)O)C4=CC=CC=C4
InChI: InChI=1S/C24H26O7/c1-13-16-11-10-15(29-23-20(26)19(25)21(28-4)24(2,3)31-23)12-17(16)30-22(27)18(13)14-8-6-5-7-9-14/h5-12,19-21,23,25-26H,1-4H3/t19-,20+,21+,23+/m0/s1
SMILES: COC(=O)[C@@]1([C@@H]([C@@H]([C@H]([C@@H](O1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)Br)O
InChI: InChI=1S/C28H29BrO7/c1-32-27(30)28(31)25(29)23(33-17-20-11-5-2-6-12-20)24(34-18-21-13-7-3-8-14-21)26(36-28)35-19-22-15-9-4-10-16-22/h2-16,23-26,31H,17-19H2,1H3/t23-,24-,25-,26-,28+/m1/s1
SMILES: CCOC(=O)C1=CC(=CC(=C1)NC(=O)[C@H]2CC(=C(C[C@H]2C(=O)[O-])C)C)C(=O)OCC
InChI: InChI=1S/C22H27NO7/c1-5-29-21(27)14-9-15(22(28)30-6-2)11-16(10-14)23-19(24)17-7-12(3)13(4)8-18(17)20(25)26/h9-11,17-18H,5-8H2,1-4H3,(H,23,24)(H,25,26)/p-1/t17-,18+/m0/s1
SMILES: CC1([C@H]2CO[C@H]3[C@@H]([C@@H]2NC4=C1C=C(C=C4)Cl)O[C@H]5[C@@H]3OC(O5)(C)C)C
InChI: InChI=1S/C19H24ClNO4/c1-18(2)10-7-9(20)5-6-12(10)21-13-11(18)8-22-15-14(13)23-17-16(15)24-19(3,4)25-17/h5-7,11,13-17,21H,8H2,1-4H3/t11-,13+,14+,15-,16+,17+/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C([C@@H]3N2C4=C(C=C3)N=CC=C4)(C#N)C#N)C5=CC=C(C=C5)Br
InChI: InChI=1S/C26H17BrN4O/c27-19-10-8-17(9-11-19)23-24(25(32)18-5-2-1-3-6-18)31-21-7-4-14-30-20(21)12-13-22(31)26(23,15-28)16-29/h1-14,22-24H/t22-,23+,24-/m1/s1
SMILES: COC(=O)C[C@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O
InChI: InChI=1S/C18H21Cl2NO5/c1-26-16(22)9-15(10-6-7-13(19)14(20)8-10)21-17(23)11-4-2-3-5-12(11)18(24)25/h6-8,11-12,15H,2-5,9H2,1H3,(H,21,23)(H,24,25)/t11-,12+,15-/m1/s1
SMILES: CC(C)(C)OC(=O)CCC(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)NC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2
InChI: InChI=1S/C32H55N3O8S/c1-29(2,3)41-24(37)14-17-32(18-15-25(38)42-30(4,5)6,19-16-26(39)43-31(7,8)9)35-23(36)13-11-10-12-22-27-21(20-44-22)33-28(40)34-27/h21-22,27H,10-20H2,1-9H3,(H,35,36)(H2,33,34,40)/t21-,22-,27-/m0/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NC3=C(C=C(C=C3)C)[N+](=O)[O-]
InChI: InChI=1S/C18H22N4O5/c1-11-6-7-13(14(9-11)22(26)27)19-15(23)10-21-16(24)18(20-17(21)25)8-4-3-5-12(18)2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,19,23)(H,20,25)/t12-,18-/m1/s1
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCSC(=O)C4(CO4)CCCC5=CC(=CC=C5)C(F)(F)F)O
InChI: InChI=1S/C34H47F3N7O18P3S/c1-32(2,26(47)29(48)40-10-8-22(45)39-11-12-66-31(49)33(16-57-33)9-4-6-19-5-3-7-20(13-19)34(35,36)37)15-59-65(55,56)62-64(53,54)58-14-21-25(61-63(50,51)52)24(46)30(60-21)44-18-43-23-27(38)41-17-42-28(23)44/h3,5,7,13,17-18,21,24-26,30,46-47H,4,6,8-12,14-16H2,1-2H3,(H,39,45)(H,40,48)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t21-,24-,25-,26-,30-,33?/m1/s1
SMILES: CC(C)[C@H](C(=O)OC)NC(=O)[C@@H]1[C@H](CCN1C(=O)C2=CC=CN2C)NC(=O)NC3=CC(=CC=C3)OC
InChI: InChI=1S/C25H33N5O6/c1-15(2)20(24(33)36-5)28-22(31)21-18(11-13-30(21)23(32)19-10-7-12-29(19)3)27-25(34)26-16-8-6-9-17(14-16)35-4/h6-10,12,14-15,18,20-21H,11,13H2,1-5H3,(H,28,31)(H2,26,27,34)/t18-,20+,21-/m0/s1
SMILES: CC(=O)[C@H]1[C@@H]2C[C@H]([C@H]1C=O)[C@@H]3[C@H]2OOO3
InChI: InChI=1S/C10H12O5/c1-4(12)8-6-2-5(7(8)3-11)9-10(6)14-15-13-9/h3,5-10H,2H2,1H3/t5-,6+,7-,8+,9-,10+/m1/s1
SMILES: C[C@]12CCC[C@]([C@@H]1CCC3=C2C=C(C=C3)O)(C)C(=O)NC45CC6CC(C4)CC(C6)C5
InChI: InChI=1S/C27H37NO2/c1-25-8-3-9-26(2,23(25)7-5-20-4-6-21(29)13-22(20)25)24(30)28-27-14-17-10-18(15-27)12-19(11-17)16-27/h4,6,13,17-19,23,29H,3,5,7-12,14-16H2,1-2H3,(H,28,30)/t17?,18?,19?,23-,25-,26+,27?/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@@H]([C@H]2C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C25H22N2O10/c28-20(14-3-7-18(8-4-14)26(32)33)12-36-24(30)22-16-1-2-17(11-16)23(22)25(31)37-13-21(29)15-5-9-19(10-6-15)27(34)35/h3-10,16-17,22-23H,1-2,11-13H2/t16-,17+,22-,23-/m0/s1
SMILES: CC1=C([C@H]2[C@H](COC3=CC=CC=C23)[C@H](O1)C4=CC=CC=C4)S(=O)C5=CC=CC=C5
InChI: InChI=1S/C25H22O3S/c1-17-25(29(26)19-12-6-3-7-13-19)23-20-14-8-9-15-22(20)27-16-21(23)24(28-17)18-10-4-2-5-11-18/h2-15,21,23-24H,16H2,1H3/t21-,23+,24+,29?/m0/s1
SMILES: COC1=CC(=C(C=C1)NC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)OC
InChI: InChI=1S/C17H23NO3/c1-20-14-5-6-15(16(10-14)21-2)18-17(19)9-13-8-11-3-4-12(13)7-11/h5-6,10-13H,3-4,7-9H2,1-2H3,(H,18,19)/t11-,12+,13+/m0/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2C(=O)C6=C4C(=C(C=C6)O)O5)O
InChI: InChI=1S/C20H21NO5/c22-12-4-3-11-14-16(12)26-18-13(23)5-6-20(25)17(15(11)24)21(9-10-1-2-10)8-7-19(14,18)20/h3-4,10,17-18,22,25H,1-2,5-9H2/t17-,18+,19+,20-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C18H21N3O5/c1-10-4-3-5-15(11(10)2)19-16(22)9-20-17(23)13-7-6-12(21(25)26)8-14(13)18(20)24/h6-8,10-11,15H,3-5,9H2,1-2H3,(H,19,22)/t10-,11-,15+/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)CCC=C)(C)C)O)/C(=C/C2=CC=CC=N2)/C)/C
InChI: InChI=1S/C31H45NO5/c1-7-8-15-25-29(35)22(3)13-11-12-21(2)16-17-26(23(4)19-24-14-9-10-18-32-24)37-28(34)20-27(33)31(5,6)30(25)36/h7,9-10,14,16,18-19,22,25-27,29,33,35H,1,8,11-13,15,17,20H2,2-6H3/b21-16-,23-19+/t22-,25-,26+,27-,29+/m1/s1
SMILES: CC1([C@@H]2CC[C@]1([C@@H](C2)O)C[S@@](=O)[C@@H]3[C@H]4C=C[C@@]([C@@H]3C(=O)OC)(O4)OC)C
InChI: InChI=1S/C19H28O6S/c1-17(2)11-5-7-18(17,13(20)9-11)10-26(22)15-12-6-8-19(24-4,25-12)14(15)16(21)23-3/h6,8,11-15,20H,5,7,9-10H2,1-4H3/t11-,12-,13-,14+,15-,18-,19+,26-/m1/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(CC[C@@H](C4)I)C)C
InChI: InChI=1S/C27H45I/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
SMILES: C[C@]1(CC(=O)N2[C@]13C[C@@H]4[C@](C2)(C[C@@]5(C4(C)C)C6=C(C7=C(C=C6)OC(C=CO7)(C)C)NC5=O)NC3=O)O
InChI: InChI=1S/C27H31N3O6/c1-22(2)8-9-35-19-15(36-22)7-6-14-18(19)28-20(32)26(14)12-25-13-30-17(31)11-24(5,34)27(30,21(33)29-25)10-16(25)23(26,3)4/h6-9,16,34H,10-13H2,1-5H3,(H,28,32)(H,29,33)/t16-,24+,25+,26+,27-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@@H]([C@H](C4=CC(=O)CC[C@]34C)N)OS(=O)(=O)C
InChI: InChI=1S/C20H29NO5S/c1-19-8-6-11(22)10-14(19)17(21)18(26-27(3,24)25)16-12-4-5-15(23)20(12,2)9-7-13(16)19/h10,12-13,16-18H,4-9,21H2,1-3H3/t12-,13-,16-,17-,18-,19+,20-/m0/s1
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2C=C(C3=C(N=CN=C32)NO)/C=N/N)CO)O)Cl
InChI: InChI=1S/C13H17ClN6O4/c1-13(14)9(22)7(4-21)24-12(13)20-3-6(2-18-15)8-10(19-23)16-5-17-11(8)20/h2-3,5,7,9,12,21-23H,4,15H2,1H3,(H,16,17,19)/b18-2+/t7-,9-,12-,13-/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@H]2[C@@H]3C=CC4=CC=CC=C4N3C([C@@H]2C5=CC=CC=C5Br)(C#N)C#N
InChI: InChI=1S/C27H18BrN3O/c28-21-12-6-5-11-20(21)25-24(26(32)19-9-2-1-3-10-19)23-15-14-18-8-4-7-13-22(18)31(23)27(25,16-29)17-30/h1-15,23-25H/t23-,24-,25+/m0/s1
SMILES: CCOC(=O)N1[C@@H]2[C@]1(C(=O)CC2)C(=O)O[C@@H]3[C@@H]([C@H]4CC[C@@]3(C4(C)C)C)N(C5=CC(=CC(=C5)C)C)S(=O)(=O)C6=CC=CC=C6
InChI: InChI=1S/C33H40N2O7S/c1-7-41-30(38)34-25-13-14-26(36)33(25,34)29(37)42-28-27(24-15-16-32(28,6)31(24,4)5)35(22-18-20(2)17-21(3)19-22)43(39,40)23-11-9-8-10-12-23/h8-12,17-19,24-25,27-28H,7,13-16H2,1-6H3/t24-,25+,27-,28-,32+,33+,34?/m1/s1
SMILES: CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)OC3=NN(C(=O)[C@@H]4[C@H]3C4)CC5=CC=C(C=C5)Cl)O)C
InChI: InChI=1S/C24H22ClN3O4/c1-24(2)21(29)20(18-9-14(11-26)5-8-19(18)32-24)31-22-16-10-17(16)23(30)28(27-22)12-13-3-6-15(25)7-4-13/h3-9,16-17,20-21,29H,10,12H2,1-2H3/t16-,17+,20-,21+/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H](N=C(NC1=O)C2=CC=CC=C2)C3=CC=C(C=C3)C
InChI: InChI=1S/C20H20N2O3/c1-3-25-20(24)16-17(14-11-9-13(2)10-12-14)21-18(22-19(16)23)15-7-5-4-6-8-15/h4-12,16-17H,3H2,1-2H3,(H,21,22,23)/t16-,17-/m1/s1
SMILES: C[C@H](CCCC(=O)C(C)(C)C1=CC=CC=C1)C2=CC[C@@H]3[C@@]2(CCCC3=O)C
InChI: InChI=1S/C25H34O2/c1-18(20-15-16-21-22(26)13-9-17-25(20,21)4)10-8-14-23(27)24(2,3)19-11-6-5-7-12-19/h5-7,11-12,15,18,21H,8-10,13-14,16-17H2,1-4H3/t18-,21+,25-/m1/s1
SMILES: CCC(C)C(=O)O[C@H]1[C@@H]2[C@]3(CC[C@@H](C[C@@H]3CC[C@@]24[C@@]5(O4)CC[C@@H]([C@]5([C@@H]1OC(=O)C)C)C(=O)C)O)C
InChI: InChI=1S/C28H42O7/c1-7-15(2)24(32)34-21-22-25(5)11-9-19(31)14-18(25)8-12-27(22)28(35-27)13-10-20(16(3)29)26(28,6)23(21)33-17(4)30/h15,18-23,31H,7-14H2,1-6H3/t15?,18-,19-,20+,21-,22+,23+,25-,26-,27-,28+/m0/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](NC(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CCN2CCCN(CC2)CCCN3CCCC3)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)OC)C)C)O)(C)O
InChI: InChI=1S/C45H83N5O11/c1-12-35-45(8,56)39(53)33(6)46-41(54)29(2)28-44(7,57-11)40(61-43-37(52)34(47(9)10)27-30(3)58-43)31(4)38(32(5)42(55)59-35)60-36(51)17-24-50-23-16-22-49(25-26-50)21-15-20-48-18-13-14-19-48/h29-35,37-40,43,52-53,56H,12-28H2,1-11H3,(H,46,54)/t29-,30-,31+,32-,33-,34+,35-,37-,38+,39-,40-,43+,44-,45-/m1/s1
SMILES: COC1=CC(=C(C2=C1C(=O)[C@]3(O2)[C@@H](CC(=O)C=C3S(=O)C)C4=CC=CC=C4)Cl)OC
InChI: InChI=1S/C22H19ClO6S/c1-27-15-11-16(28-2)19(23)20-18(15)21(25)22(29-20)14(12-7-5-4-6-8-12)9-13(24)10-17(22)30(3)26/h4-8,10-11,14H,9H2,1-3H3/t14-,22-,30?/m0/s1
SMILES: CC(C)(C)SSC[C@@H](C(=O)NC/C=C/C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI: InChI=1S/C34H40N4O8S2/c1-34(2,3)48-47-19-26(36-33(44)45-18-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25)31(42)35-14-8-9-20-16-38(32(43)37-30(20)41)29-15-27(40)28(17-39)46-29/h4-13,16,25-29,39-40H,14-15,17-19H2,1-3H3,(H,35,42)(H,36,44)(H,37,41,43)/b9-8+/t26-,27-,28+,29+/m0/s1
SMILES: CC(=O)O[C@H]1C[C@@]2(O[C@H]1[C@H](O2)[C@@H](COP(=O)(OCC3=CC=CC=C3)OCC4=CC=CC=C4)O[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)C(=O)OC
InChI: InChI=1S/C41H47O11PSi/c1-30(42)49-35-26-41(39(43)45-5)50-37(35)38(51-41)36(52-54(40(2,3)4,33-22-14-8-15-23-33)34-24-16-9-17-25-34)29-48-53(44,46-27-31-18-10-6-11-19-31)47-28-32-20-12-7-13-21-32/h6-25,35-38H,26-29H2,1-5H3/t35-,36+,37+,38+,41-/m0/s1
SMILES: CC1=C2[C@H]([C@H]([C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)C)O)OC(=O)C)(CO4)O)OC(=O)C)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C30H42O13/c1-13-19(39-14(2)31)11-30(37)26(43-18(6)35)24-28(9,20(40-15(3)32)10-21-29(24,36)12-38-21)25(42-17(5)34)23(41-16(4)33)22(13)27(30,7)8/h19-21,23-26,36-37H,10-12H2,1-9H3/t19-,20-,21+,23+,24-,25+,26-,28+,29-,30+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C
InChI: InChI=1S/C18H24N2O4/c1-12-5-3-4-6-16(12)20-17(22)11-24-18(23)14-7-9-15(10-8-14)19-13(2)21/h7-10,12,16H,3-6,11H2,1-2H3,(H,19,21)(H,20,22)/t12-,16+/m0/s1
SMILES: C1=C(C(=S)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C9H12N2O5S/c12-2-4-5(13)6(14)7(16-4)3-1-10-9(15)11-8(3)17/h1,4-7,12-14H,2H2,(H2,10,11,15,17)/t4-,5-,6-,7+/m1/s1
SMILES: CC1=C(C=C(C=C1)OCC2=NN(C(=S)N2C)[C@@H]3CC(=O)[C@@H]4OC[C@H]3O4)C
InChI: InChI=1S/C18H21N3O4S/c1-10-4-5-12(6-11(10)2)23-9-16-19-21(18(26)20(16)3)13-7-14(22)17-24-8-15(13)25-17/h4-6,13,15,17H,7-9H2,1-3H3/t13-,15-,17-/m1/s1
SMILES: C[C@@]1([C@]2(C1(C)C)CC[C@@H]2C(=O)NCC3=CC=CO3)C(=O)O
InChI: InChI=1S/C16H21NO4/c1-14(2)15(3,13(19)20)16(14)7-6-11(16)12(18)17-9-10-5-4-8-21-10/h4-5,8,11H,6-7,9H2,1-3H3,(H,17,18)(H,19,20)/t11-,15-,16-/m1/s1
SMILES: C=C(C1=C[C@H]([C@H]([C@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C5=C[C@H]([C@H]([C@H]5OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C54H52O6/c1-40(47-32-49(55-34-41-20-8-2-9-21-41)53(59-38-45-28-16-6-17-29-45)51(47)57-36-43-24-12-4-13-25-43)48-33-50(56-35-42-22-10-3-11-23-42)54(60-39-46-30-18-7-19-31-46)52(48)58-37-44-26-14-5-15-27-44/h2-33,49-54H,1,34-39H2/t49-,50-,51+,52+,53-,54-/m1/s1
SMILES: C1CC[C@H]2C(=CC1)NN([C@]2(C(F)(F)F)O)C(=O)C3=CC=CC=C3Br
InChI: InChI=1S/C16H16BrF3N2O2/c17-12-8-5-4-6-10(12)14(23)22-15(24,16(18,19)20)11-7-2-1-3-9-13(11)21-22/h4-6,8-9,11,21,24H,1-3,7H2/t11-,15-/m0/s1
SMILES: CCCCN1[C@@H]([C@@H](CCC1=O)C(=O)NC2=CC=CC=C2CC)C3=CC=CC=C3OC
InChI: InChI=1S/C25H32N2O3/c1-4-6-17-27-23(28)16-15-20(24(27)19-12-8-10-14-22(19)30-3)25(29)26-21-13-9-7-11-18(21)5-2/h7-14,20,24H,4-6,15-17H2,1-3H3,(H,26,29)/t20-,24-/m1/s1
SMILES: CC1=CC(=O)[C@@]2([C@@H]3CC[C@@H]4CC(=O)CC[C@@]4(C3=CC[C@@H]2S1(=O)=O)C)C
InChI: InChI=1S/C20H26O4S/c1-12-10-17(22)20(3)16-5-4-13-11-14(21)8-9-19(13,2)15(16)6-7-18(20)25(12,23)24/h6,10,13,16,18H,4-5,7-9,11H2,1-3H3/t13-,16-,18+,19+,20+/m1/s1
SMILES: CC1=C2C(=CC=C1)[C@@]3([C@H]4[C@@H]([C@@H]([NH2+]3)CC5=CC=CC=C5)C(=O)NC4=O)C(=O)N2
InChI: InChI=1S/C21H19N3O3/c1-11-6-5-9-13-17(11)22-20(27)21(13)16-15(18(25)23-19(16)26)14(24-21)10-12-7-3-2-4-8-12/h2-9,14-16,24H,10H2,1H3,(H,22,27)(H,23,25,26)/p+1/t14-,15+,16-,21+/m0/s1
SMILES: CC1=C(NC2=C1CC3[C@H]4CC5=C6[C@]3([C@H]2OC6=C(C=C5)OC)CCN4C)C(=O)N7CCN(CC7)C8=NC=C(C=C8)C(F)(F)F
InChI: InChI=1S/C32H34F3N5O3/c1-17-20-15-21-22-14-18-4-6-23(42-3)28-25(18)31(21,8-9-38(22)2)29(43-28)27(20)37-26(17)30(41)40-12-10-39(11-13-40)24-7-5-19(16-36-24)32(33,34)35/h4-7,16,21-22,29,37H,8-15H2,1-3H3/t21?,22-,29+,31+/m1/s1
SMILES: C1CC[C@]2(CCN([C@@H]([C@H]2C1)C3=CC4=C(C=C3)OCO4)CC#N)O
InChI: InChI=1S/C18H22N2O3/c19-8-10-20-9-7-18(21)6-2-1-3-14(18)17(20)13-4-5-15-16(11-13)23-12-22-15/h4-5,11,14,17,21H,1-3,6-7,9-10,12H2/t14-,17-,18-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=C(C3=O)C(=C(C(=C4)O)OC)O)C5=CC=C(C=C5)O)O)O)O)O)O)O
InChI: InChI=1S/C28H32O16/c1-9-16(31)20(35)22(37)27(41-9)40-8-14-17(32)21(36)23(38)28(43-14)44-26-19(34)15-13(7-12(30)25(39-2)18(15)33)42-24(26)10-3-5-11(29)6-4-10/h3-7,9,14,16-17,20-23,27-33,35-38H,8H2,1-2H3/t9-,14+,16-,17-,20+,21-,22+,23+,27+,28-/m0/s1
SMILES: C1CN(CCN1C[C@@H]2C[C@@H]3C[C@H]2C=C3)S(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C18H24N2O2S/c21-23(22,18-4-2-1-3-5-18)20-10-8-19(9-11-20)14-17-13-15-6-7-16(17)12-15/h1-7,15-17H,8-14H2/t15-,16+,17-/m0/s1
SMILES: CCC(CC)(C(CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C)(F)F)O
InChI: InChI=1S/C29H46F2O2/c1-6-28(33,7-2)29(30,31)17-12-19(3)23-10-11-24-22-9-8-20-18-21(32)13-15-26(20,4)25(22)14-16-27(23,24)5/h8-9,19,21,23-25,32-33H,6-7,10-18H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@@H]([C@H](O1)C3=CC=CC=C3)[Se]C4=CC=CC=C4)N(C2=O)C5=CC=C(C=C5)OC
InChI: InChI=1S/C26H25NO3Se/c1-17-22-23(27(26(22)28)19-13-15-20(29-2)16-14-19)25(31-21-11-7-4-8-12-21)24(30-17)18-9-5-3-6-10-18/h3-17,22-25H,1-2H3/t17-,22+,23+,24+,25-/m0/s1
SMILES: C[C@]12CC[C@@H](CC1=CC=C3[C@@H]2CC[C@]4([C@H]3CC[C@]4(CN5CCCN6C5=NCCC6)O)C)O
InChI: InChI=1S/C27H41N3O2/c1-25-10-7-20(31)17-19(25)5-6-21-22(25)8-11-26(2)23(21)9-12-27(26,32)18-30-16-4-15-29-14-3-13-28-24(29)30/h5-6,20,22-23,31-32H,3-4,7-18H2,1-2H3/t20-,22-,23-,25-,26-,27+/m0/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=C(C=CC(=C8)OC(F)(F)F)O)C(=O)N(C7=O)CCC9=CC=C(C=C9)O)C
InChI: InChI=1S/C43H36ClF3N4O7S/c1-20-27-16-22(44)6-13-33(27)59-37(20)31-19-34(49(3)48-31)51-39(55)30-18-28-25(36(42(30,2)41(51)57)29-17-24(9-12-32(29)53)58-43(45,46)47)10-11-26-35(28)40(56)50(38(26)54)15-14-21-4-7-23(52)8-5-21/h4-10,12-13,16-17,19,26,28,30,35-36,52-53H,11,14-15,18H2,1-3H3/t26-,28+,30-,35-,36+,42+/m0/s1
SMILES: C1=CC2=C(C=C1O)NC3=C4C(=C5C(=C23)C(=O)N(C5=O)CCC6=CC=NC=C6)C7=C(N4[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C=C(C=C7)O
InChI: InChI=1S/C33H28N4O9/c38-13-21-28(41)29(42)30(43)33(46-21)37-20-12-16(40)2-4-18(20)23-25-24(22-17-3-1-15(39)11-19(17)35-26(22)27(23)37)31(44)36(32(25)45)10-7-14-5-8-34-9-6-14/h1-6,8-9,11-12,21,28-30,33,35,38-43H,7,10,13H2/t21-,28-,29+,30-,33-/m1/s1
SMILES: COC(=O)[C@@]12CC[C@@H]([C@@H]1COC2=O)OCC3=CC=CC=C3
InChI: InChI=1S/C16H18O5/c1-19-14(17)16-8-7-13(12(16)10-21-15(16)18)20-9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3/t12-,13-,16+/m0/s1
SMILES: C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H]([C@H]4O)O)C)O)O)C
InChI: InChI=1S/C27H48O4/c1-16(2)7-6-8-17(3)19-9-10-20-18-15-23(29)27(31)24(30)22(28)12-14-26(27,5)21(18)11-13-25(19,20)4/h16-24,28-31H,6-15H2,1-5H3/t17-,18+,19?,20+,21+,22+,23-,24-,25-,26-,27-/m1/s1
SMILES: CCCCCCCCO[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[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)F)O)NC(=O)C)O)O)O
InChI: InChI=1S/C28H50FNO15/c1-3-4-5-6-7-8-9-40-27-24(39)22(37)20(35)16(44-27)12-41-28-25(23(38)19(34)15(11-32)43-28)45-26-18(30-13(2)33)21(36)17(29)14(10-31)42-26/h14-28,31-32,34-39H,3-12H2,1-2H3,(H,30,33)/t14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24-,25+,26+,27-,28+/m1/s1
SMILES: CC[C@@H]1CC(=CCN1)C2=CSC(=N2)SC3=C(N4[C@H]([C@H]3C)[C@H](C4=O)[C@@H](C)O)C(=O)O
InChI: InChI=1S/C20H25N3O4S2/c1-4-12-7-11(5-6-21-12)13-8-28-20(22-13)29-17-9(2)15-14(10(3)24)18(25)23(15)16(17)19(26)27/h5,8-10,12,14-15,21,24H,4,6-7H2,1-3H3,(H,26,27)/t9-,10-,12-,14-,15-/m1/s1
SMILES: C[C@]12CC[C@H](C[C@@H]1CCC3C2CC[C@@]45C3CC[C@@H]4[C@H](CCC5)C#N)O
InChI: InChI=1S/C23H35NO/c1-22-11-8-17(25)13-16(22)4-5-18-20(22)9-12-23-10-2-3-15(14-24)19(23)6-7-21(18)23/h15-21,25H,2-13H2,1H3/t15-,16+,17-,18?,19-,20?,21?,22+,23-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)O)CCC4=CC(=O)CC[C@H]34
InChI: InChI=1S/C20H28O5/c1-19-7-6-14-13-5-3-12(22)8-11(13)2-4-15(14)16(19)9-17(23)20(19,25)18(24)10-21/h8,13-17,21,23,25H,2-7,9-10H2,1H3/t13-,14+,15+,16-,17+,19-,20-/m0/s1
SMILES: C1[C@@H]2[C@@H]([C@H]([C@H](O2)C(C3=CC=CC=C3)O)O)OC1=O
InChI: InChI=1S/C13H14O5/c14-9-6-8-12(18-9)11(16)13(17-8)10(15)7-4-2-1-3-5-7/h1-5,8,10-13,15-16H,6H2/t8-,10?,11-,12+,13-/m1/s1
SMILES: COC(=O)[C@]1(C[C@H]1C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)NC(=O)OC
InChI: InChI=1S/C21H20N2O6S/c1-28-19(24)21(22-20(25)29-2)12-17(21)16-13-23(18-11-7-6-10-15(16)18)30(26,27)14-8-4-3-5-9-14/h3-11,13,17H,12H2,1-2H3,(H,22,25)/t17-,21+/m0/s1
SMILES: C1[C@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O
InChI: InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6-,8-/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CCC3=CC=CS3)S(=O)(=O)C4=CC=CS4)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC=CC=C6)C
InChI: InChI=1S/C39H45NO5S3/c1-28-9-6-20-38(2)35(33-17-15-29(25-31(41)16-14-28)26-34(33)37(42)30-10-4-3-5-11-30)18-21-39(38,43)27-40(22-19-32-12-7-23-46-32)48(44,45)36-13-8-24-47-36/h3-5,7-13,15,17,23-24,26,31,35,41,43H,6,14,16,18-22,25,27H2,1-2H3/t31-,35-,38-,39+/m0/s1