EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC1=CC(=C(C(=C1)OC)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=CC=C6)Cl)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)I)O
InChI: InChI=1S/C40H32ClIN2O7/c1-50-26-18-31(45)34(32(19-26)51-2)35-27-15-16-28-33(38(48)43(36(28)46)24-13-11-23(42)12-14-24)29(27)20-30-37(47)44(25-10-6-9-22(41)17-25)39(49)40(30,35)21-7-4-3-5-8-21/h3-15,17-19,28-30,33,35,45H,16,20H2,1-2H3/t28-,29+,30-,33-,35+,40+/m0/s1
SMILES: CC(=O)N(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)C3=CC=CC=C3
InChI: InChI=1S/C17H18N2O3/c1-12(20)18(13-7-3-2-4-8-13)11-19-16(21)14-9-5-6-10-15(14)17(19)22/h2-8,14-15H,9-11H2,1H3/t14-,15-/m1/s1
SMILES: CC[C@H](C)[C@H]1C2=N[C@@H]([C@H](O2)C)C(=O)N[C@@H](C3=NC(=CS3)C(=O)N[C@H](C4=N[C@@H]([C@H](O4)C)C(=O)N[C@@H](C5=NC(=CS5)C(=O)N1)C)CC(C)C)CC6=CC=CC=C6
InChI: InChI=1S/C38H48N8O6S2/c1-8-19(4)28-36-46-30(22(7)52-36)34(50)41-25(15-23-12-10-9-11-13-23)38-43-26(17-54-38)31(47)40-24(14-18(2)3)35-45-29(21(6)51-35)33(49)39-20(5)37-42-27(16-53-37)32(48)44-28/h9-13,16-22,24-25,28-30H,8,14-15H2,1-7H3,(H,39,49)(H,40,47)(H,41,50)(H,44,48)/t19-,20+,21+,22+,24-,25+,28-,29-,30-/m0/s1
SMILES: C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]\5[C@@]4([C@@H](C=C(/C5=N\O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)\C)OC1C7CCCCC7
InChI: InChI=1S/C43H63NO11/c1-24-11-10-14-30-23-50-40-36(44-48)27(4)19-33(43(30,40)47)41(46)52-32-20-31(16-15-25(2)38(24)53-35-21-34(49-6)37(45)28(5)51-35)54-42(22-32)18-17-26(3)39(55-42)29-12-8-7-9-13-29/h10-11,14-15,19,24,26,28-29,31-35,37-40,45,47-48H,7-9,12-13,16-18,20-23H2,1-6H3/b11-10+,25-15+,30-14+,44-36+/t24-,26-,28-,31+,32-,33-,34-,35-,37-,38-,39?,40+,42+,43+/m0/s1
SMILES: CC(=O)[C@@H]1[C@H](CC(=CC1=O)C2=CC=CS2)C3=CC=CC=C3
InChI: InChI=1S/C18H16O2S/c1-12(19)18-15(13-6-3-2-4-7-13)10-14(11-16(18)20)17-8-5-9-21-17/h2-9,11,15,18H,10H2,1H3/t15-,18-/m1/s1
SMILES: CC([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H]([C@@H]([C@@H]([C@H]([C@H]2O)N(C)C(=O)CN)OC)O)N)N)N.OS(=O)(=O)O.OS(=O)(=O)O
InChI: InChI=1S/C17H35N5O6.2H2O4S/c1-7(19)9-5-4-8(20)17(27-9)28-15-11(21)13(24)16(26-3)12(14(15)25)22(2)10(23)6-18;2*1-5(2,3)4/h7-9,11-17,24-25H,4-6,18-21H2,1-3H3;2*(H2,1,2,3,4)/t7?,8-,9+,11+,12+,13+,14-,15-,16-,17-;;/m1../s1
SMILES: C/C=C/C(=O)O[C@@]1(C[C@H]2CC[C@@]1(C2(C)C)C)C3=CC4=CC=CC=C4C=C3
InChI: InChI=1S/C24H28O2/c1-5-8-21(25)26-24(16-20-13-14-23(24,4)22(20,2)3)19-12-11-17-9-6-7-10-18(17)15-19/h5-12,15,20H,13-14,16H2,1-4H3/b8-5+/t20-,23-,24+/m1/s1
SMILES: C[C@@]1([C@H]2[C@@H]([C@@H]([NH2+]1)C3=CC=C(C=C3)OC)C(=O)N(C2=O)C)C(=O)OC
InChI: InChI=1S/C17H20N2O5/c1-17(16(22)24-4)12-11(14(20)19(2)15(12)21)13(18-17)9-5-7-10(23-3)8-6-9/h5-8,11-13,18H,1-4H3/p+1/t11-,12-,13-,17+/m0/s1
SMILES: CCO[C@H]1C[C@]2([C@@H](CC[C@@H]3[C@@H]2[C@@H](C[C@]4([C@H]3CC[C@@H]4C(=O)OC5CCCCC5)C)N)C[C@@H]1O)C
InChI: InChI=1S/C28H47NO4/c1-4-32-24-16-27(2)17(14-23(24)30)10-11-19-20-12-13-21(28(20,3)15-22(29)25(19)27)26(31)33-18-8-6-5-7-9-18/h17-25,30H,4-16,29H2,1-3H3/t17-,19-,20-,21+,22+,23-,24-,25+,27-,28-/m0/s1
SMILES: CC(=CC/C=C(\C)/[C@]1([C@@H]([C@@H](CC[C@]12CO2)O)OC)O)C
InChI: InChI=1S/C16H26O4/c1-11(2)6-5-7-12(3)16(18)14(19-4)13(17)8-9-15(16)10-20-15/h6-7,13-14,17-18H,5,8-10H2,1-4H3/b12-7+/t13-,14-,15+,16-/m1/s1
SMILES: C1C=CC[C@H]([C@H]1C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)O
InChI: InChI=1S/C20H19NO4/c22-19(17-8-4-5-9-18(17)20(23)24)21-14-10-12-16(13-11-14)25-15-6-2-1-3-7-15/h1-7,10-13,17-18H,8-9H2,(H,21,22)(H,23,24)/t17-,18+/m0/s1
SMILES: COC1=CC=C(C=C1)N2[C@@H]([C@H](C2=O)CCCC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C25H24N2O4/c1-31-22-16-14-20(15-17-22)26-24(19-10-12-21(13-11-19)27(29)30)23(25(26)28)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10-17,23-24H,5,8-9H2,1H3/t23-,24-/m1/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)OC(C)C)O)O
InChI: InChI=1S/C23H40O5/c1-4-5-8-11-18(24)14-15-20-19(21(25)16-22(20)26)12-9-6-7-10-13-23(27)28-17(2)3/h14-15,17-20,22,24,26H,4-13,16H2,1-3H3/b15-14+/t18-,19+,20+,22+/m0/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)NC3=NC4=CC=CC=C4S3
InChI: InChI=1S/C18H20N4O3S/c1-11-6-4-5-9-18(11)15(24)22(17(25)21-18)10-14(23)20-16-19-12-7-2-3-8-13(12)26-16/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,21,25)(H,19,20,23)/t11-,18-/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@@H]1CCC3C2CC[C@]4([C@H]3CC[C@@H]4NC(=O)COS(=O)(=S)O)C)O
InChI: InChI=1S/C21H35NO5S2/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(21(16,2)10-8-17(15)20)22-19(24)12-27-29(25,26)28/h13-18,23H,3-12H2,1-2H3,(H,22,24)(H,25,26,28)/t13-,14-,15?,16-,17?,18-,20-,21-/m0/s1
SMILES: CCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]([NH+]3[C@@H]2C4=CC=CC=C4C=C3)C(=O)C5=CC=C(C=C5)F
InChI: InChI=1S/C24H21FN2O3/c1-2-12-27-23(29)18-19(24(27)30)21(22(28)15-7-9-16(25)10-8-15)26-13-11-14-5-3-4-6-17(14)20(18)26/h3-11,13,18-21H,2,12H2,1H3/p+1/t18-,19+,20+,21-/m0/s1
SMILES: C[C@@H]1CO[C@H](O[C@H]1C)C2=CC=C(C=C2)OCCCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI: InChI=1S/C22H21F15O3/c1-11-10-39-15(40-12(11)2)13-4-6-14(7-5-13)38-9-3-8-16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)37/h4-7,11-12,15H,3,8-10H2,1-2H3/t11-,12+,15-/m1/s1
SMILES: C[C@@]12CCC3[C@@](C1CC=C4[C@]2(CC[C@@]5(C4CC(CC5)(C)C)C(=O)O)C)(C[C@H]([C@H](C3(C)C)O)O)C
InChI: InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19?,20-,21?,22?,23-,27+,28-,29-,30+/m1/s1
SMILES: C=CC(=O)NCCCCCOC[C@@H]1[C@H]([C@@H]([C@H](C(O1)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O
InChI: InChI=1S/C20H35NO12/c1-2-12(23)21-6-4-3-5-7-30-9-11-14(25)16(27)18(29)20(32-11)33-19-17(28)15(26)13(24)10(8-22)31-19/h2,10-11,13-20,22,24-29H,1,3-9H2,(H,21,23)/t10-,11-,13+,14-,15+,16+,17-,18-,19-,20?/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC(=C(C(=C5)OC)O)OC)C(=O)N(C4=O)CCCCCC(=O)O
InChI: InChI=1S/C31H33NO9/c1-15-11-21(33)27-20(28(15)36)14-19-17(25(27)16-12-22(40-2)29(37)23(13-16)41-3)8-9-18-26(19)31(39)32(30(18)38)10-6-4-5-7-24(34)35/h8,11-13,18-19,25-26,37H,4-7,9-10,14H2,1-3H3,(H,34,35)/t18-,19+,25-,26-/m0/s1
SMILES: CC1=C(C=CC=C1[N+](=O)[O-])N2C(=O)[C@H]3[C@H]4CCCN4[C@]5([C@@H]3C2=O)C6=CC=CC=C6NC5=O
InChI: InChI=1S/C23H20N4O5/c1-12-15(8-4-9-16(12)27(31)32)26-20(28)18-17-10-5-11-25(17)23(19(18)21(26)29)13-6-2-3-7-14(13)24-22(23)30/h2-4,6-9,17-19H,5,10-11H2,1H3,(H,24,30)/t17-,18+,19+,23+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2C[C@H]([C@@H](O2)C3OCCO3)O
InChI: InChI=1S/C15H20O7S/c1-10-2-4-12(5-3-10)23(17,18)21-9-11-8-13(16)14(22-11)15-19-6-7-20-15/h2-5,11,13-16H,6-9H2,1H3/t11-,13+,14+/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC(=CC(=C6)F)F
InChI: InChI=1S/C27H23F2NO7/c1-33-21-3-12(4-22(34-2)26(21)31)23-16-8-19-20(37-11-36-19)9-17(16)25(18-10-35-27(32)24(18)23)30-15-6-13(28)5-14(29)7-15/h3-9,18,23-25,30-31H,10-11H2,1-2H3/t18-,23+,24-,25+/m0/s1
SMILES: CC1([C@@H]2CC[C@]1([C@@H](C2)O)CS(=O)[C@@]34[C@H]5C[C@@H]([C@@H]3C(=O)N(C4=O)C)C=C5)C
InChI: InChI=1S/C20H27NO4S/c1-18(2)12-6-7-19(18,14(22)9-12)10-26(25)20-13-5-4-11(8-13)15(20)16(23)21(3)17(20)24/h4-5,11-15,22H,6-10H2,1-3H3/t11-,12+,13+,14+,15+,19+,20-,26?/m0/s1
SMILES: CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)C[C@H](C[C@H](CC(=O)O)O)O)C
InChI: InChI=1S/C24H38O6/c1-6-24(4,5)23(29)30-20-10-14(2)9-16-8-7-15(3)19(22(16)20)12-17(25)11-18(26)13-21(27)28/h7-9,14-15,17-20,22,25-26H,6,10-13H2,1-5H3,(H,27,28)/t14-,15-,17-,18+,19-,20-,22-/m0/s1
SMILES: CC[C@]12CCC[NH+]3[C@H]1[C@@]4(CC3)[C@@H](CC2)N(C5=C4C=CC=C5OC)C(=O)C
InChI: InChI=1S/C22H30N2O2/c1-4-21-10-6-13-23-14-12-22(20(21)23)16-7-5-8-17(26-3)19(16)24(15(2)25)18(22)9-11-21/h5,7-8,18,20H,4,6,9-14H2,1-3H3/p+1/t18-,20-,21-,22-/m1/s1
SMILES: C[C@@H]1[C@H](O[C@@]2([C@H]1[C@]3([C@@H](C[C@H]4[C@H]([C@@H]3C2)CC[C@@H]5[C@@]4(CC[C@@H](C5)OC(=O)C)C)OC(=O)C6=CC=CC=C6)C)O)CC[C@@H](C)CO[Si](C7=CC=CC=C7)(C8=CC=CC=C8)C(C)(C)C
InChI: InChI=1S/C52H70O7Si/c1-34(33-56-60(49(4,5)6,40-20-14-10-15-21-40)41-22-16-11-17-23-41)24-27-45-35(2)47-51(8)44(32-52(47,55)59-45)42-26-25-38-30-39(57-36(3)53)28-29-50(38,7)43(42)31-46(51)58-48(54)37-18-12-9-13-19-37/h9-23,34-35,38-39,42-47,55H,24-33H2,1-8H3/t34-,35-,38+,39+,42-,43+,44+,45-,46-,47-,50+,51-,52+/m1/s1
SMILES: C1=C(C=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=N)N
InChI: InChI=1S/C9H14N4O4/c10-8(11)4-1-12-13(2-4)9-7(16)6(15)5(3-14)17-9/h1-2,5-7,9,14-16H,3H2,(H3,10,11)/t5-,6-,7-,9-/m1/s1
SMILES: COC1=CC(=CC(=C1OC)OC)[C@H]2[C@H]3CCCC=C3[C@H](C(=N)C2(C#N)C#N)C#N
InChI: InChI=1S/C22H22N4O3/c1-27-17-8-13(9-18(28-2)20(17)29-3)19-15-7-5-4-6-14(15)16(10-23)21(26)22(19,11-24)12-25/h6,8-9,15-16,19,26H,4-5,7H2,1-3H3/t15-,16+,19-/m0/s1
SMILES: COC1=CC=C(C=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H]([C@H]2OCC3=CC=CC=C3)O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O
InChI: InChI=1S/C35H38O7/c1-38-29-19-17-28(18-20-29)24-42-35-31(37)33(40-22-26-13-7-3-8-14-26)32(39-21-25-11-5-2-6-12-25)30(36)34(35)41-23-27-15-9-4-10-16-27/h2-20,30-37H,21-24H2,1H3/t30-,31-,32-,33-,34-,35+/m1/s1
SMILES: C1CS[C@]([C@@H](S1)C2=CC=CC=C2)(C3=CC=CC=C3)N=[N+]=[N-]
InChI: InChI=1S/C16H15N3S2/c17-19-18-16(14-9-5-2-6-10-14)15(20-11-12-21-16)13-7-3-1-4-8-13/h1-10,15H,11-12H2/t15-,16-/m0/s1
SMILES: C[C@H]1C[C@]23C(=O)[C@@H]([C@@H]([C@@H]4[C@@H](C4(C)C)[C@@H]([C@@H](/C(=C\[C@@]2([C@H]1OC(=O)C)O3)/C)OC(=O)C)OC(=O)C)OC(=O)C)C
InChI: InChI=1S/C28H38O10/c1-12-10-28-25(37-18(7)32)13(2)11-27(28,38-28)24(33)14(3)22(35-16(5)30)19-20(26(19,8)9)23(36-17(6)31)21(12)34-15(4)29/h10,13-14,19-23,25H,11H2,1-9H3/b12-10-/t13-,14+,19-,20+,21+,22-,23-,25-,27-,28-/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)CCCN2C(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-]
InChI: InChI=1S/C16H20N2O5S/c19-14(17-9-3-5-11-4-1-2-6-12(11)17)10-23-16(20)13-7-8-15(24-13)18(21)22/h7-8,11-12H,1-6,9-10H2/t11-,12+/m0/s1
SMILES: C[C@H]1[C@@H]([NH+](CC[C@H]1OC(=O)C2=CC=CC=C2)CC3=CC=CO3)C
InChI: InChI=1S/C19H23NO3/c1-14-15(2)20(13-17-9-6-12-22-17)11-10-18(14)23-19(21)16-7-4-3-5-8-16/h3-9,12,14-15,18H,10-11,13H2,1-2H3/p+1/t14-,15-,18+/m0/s1
SMILES: CCOC(=O)[C@@H]1C[C@H]2CC=C(O[C@H]2N1C(=O)C)C(=O)OCC
InChI: InChI=1S/C15H21NO6/c1-4-20-14(18)11-8-10-6-7-12(15(19)21-5-2)22-13(10)16(11)9(3)17/h7,10-11,13H,4-6,8H2,1-3H3/t10-,11+,13-/m1/s1
SMILES: COC(=O)C=CC(=O)N[C@@H]1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC6CC6)O
InChI: InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/t16-,18-,23+,24+,25-/m1/s1
SMILES: C1CCC(C1)C(C2=CC=CC=C2)(C(=O)NCC3[C@H]4[C@@H]3CNC4)O.Cl
InChI: InChI=1S/C19H26N2O2.ClH/c22-18(21-12-17-15-10-20-11-16(15)17)19(23,14-8-4-5-9-14)13-6-2-1-3-7-13;/h1-3,6-7,14-17,20,23H,4-5,8-12H2,(H,21,22);1H/t15-,16+,17?,19?;
SMILES: CCCCN(CC1=CC=CN1CC2=CC(=CC=C2)OC)C(=O)[C@H]3C[C@H]3C4=CC=CC=C4
InChI: InChI=1S/C27H32N2O2/c1-3-4-15-29(27(30)26-18-25(26)22-11-6-5-7-12-22)20-23-13-9-16-28(23)19-21-10-8-14-24(17-21)31-2/h5-14,16-17,25-26H,3-4,15,18-20H2,1-2H3/t25-,26-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2N)CC=C4[C@@]3(CC[C@@H](C4)NC)C
InChI: InChI=1S/C20H34N2/c1-19-10-8-14(22-3)12-13(19)4-5-15-16-6-7-18(21)20(16,2)11-9-17(15)19/h4,14-18,22H,5-12,21H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-/m0/s1
SMILES: CCCCC[C@H]1CC=C2[C@H]([C@@H]1[N+](=O)[O-])CC[C@H](N2C(=O)OCC3=CC=CC=C3)CC=C
InChI: InChI=1S/C25H34N2O4/c1-3-5-7-13-20-14-17-23-22(24(20)27(29)30)16-15-21(10-4-2)26(23)25(28)31-18-19-11-8-6-9-12-19/h4,6,8-9,11-12,17,20-22,24H,2-3,5,7,10,13-16,18H2,1H3/t20-,21+,22+,24+/m0/s1
SMILES: CC[C@@H](C)[C@H](C(=O)O)N1C[C@@H]([C@H](C1)C2=CC(=CC=C2)F)CN3CCC(CC3)C4=CC(=NN4CC)CC5=CC=CC6=CC=CC=C65
InChI: InChI=1S/C38H47FN4O2/c1-4-26(3)37(38(44)45)42-24-31(35(25-42)29-13-9-14-32(39)20-29)23-41-18-16-28(17-19-41)36-22-33(40-43(36)5-2)21-30-12-8-11-27-10-6-7-15-34(27)30/h6-15,20,22,26,28,31,35,37H,4-5,16-19,21,23-25H2,1-3H3,(H,44,45)/t26-,31+,35-,37-/m1/s1
SMILES: C1=CC(=C(C=C1CC(=O)OC[C@@H]2[C@@H](C2(Cl)Cl)COC(=O)CC3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-])Cl
InChI: InChI=1S/C21H16Cl4N2O8/c22-15-3-1-11(5-17(15)26(30)31)7-19(28)34-9-13-14(21(13,24)25)10-35-20(29)8-12-2-4-16(23)18(6-12)27(32)33/h1-6,13-14H,7-10H2/t13-,14+
SMILES: CC1(CC[C@@H]([C@@]23[C@@H]1[C@@H]([C@@]([C@@]45[C@@H]2CC[C@@H]([C@@H]4O)C(=C)C5=O)(OC3)O)O)O)C
InChI: InChI=1S/C20H28O6/c1-9-10-4-5-11-18-8-26-20(25,19(11,14(9)22)15(10)23)16(24)13(18)17(2,3)7-6-12(18)21/h10-13,15-16,21,23-25H,1,4-8H2,2-3H3/t10-,11-,12+,13-,15+,16+,18+,19-,20+/m1/s1
SMILES: COC1=C(C=C(C=C1)[C@H]2CC(=O)[C@@H]3[C@H](N4C(=NC=N4)NC3=C2)C5=CC=CO5)OC
InChI: InChI=1S/C21H20N4O4/c1-27-16-6-5-12(10-18(16)28-2)13-8-14-19(15(26)9-13)20(17-4-3-7-29-17)25-21(24-14)22-11-23-25/h3-8,10-11,13,19-20H,9H2,1-2H3,(H,22,23,24)/t13-,19-,20-/m1/s1
SMILES: C[C@]12CC=C3[C@H]([C@H]1CCC2=O)CC[C@@]45[C@@]3(O4)CCC6(C5)OCCO6
InChI: InChI=1S/C20H26O4/c1-17-6-5-15-13(14(17)2-3-16(17)21)4-7-18-12-19(22-10-11-23-19)8-9-20(15,18)24-18/h5,13-14H,2-4,6-12H2,1H3/t13-,14+,17-,18+,20+/m0/s1
SMILES: C[C@@H]1[C@@H]2CC(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N(C)C)C(=O)O
InChI: InChI=1S/C15H21N3O4S/c1-7-10-5-11(19)18(10)12(15(21)22)13(7)23-8-4-9(16-6-8)14(20)17(2)3/h7-10,16H,4-6H2,1-3H3,(H,21,22)/t7-,8+,9+,10+/m1/s1
SMILES: C[C@@H](C(=O)OCC1=CC=CC=C1)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C18H21NO4/c1-12(18(22)23-11-13-7-3-2-4-8-13)19-16(20)14-9-5-6-10-15(14)17(19)21/h2-4,7-8,12,14-15H,5-6,9-11H2,1H3/t12-,14-,15+/m0/s1
SMILES: C[C@@]12C[C@@H](C[C@H]([C@H]1CC[C@]34[C@H]2CC[C@@H](C3)C(=C)[C@@H]4O)C(=O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
InChI: InChI=1S/C25H38O9/c1-11-12-3-4-17-24(2)9-13(33-23-20(29)19(28)18(27)16(10-26)34-23)7-14(22(31)32)15(24)5-6-25(17,8-12)21(11)30/h12-21,23,26-30H,1,3-10H2,2H3,(H,31,32)/t12-,13+,14+,15+,16+,17-,18+,19-,20+,21-,23+,24+,25+/m0/s1
SMILES: CCNC(=O)NCC1=CC=C(C=C1)[C@@H]2O[C@@H]([C@@H]([C@@H](O2)C3=CC=C(C=C3)CO)C)CN4CCN(CC4)C5=NC=CC=N5
InChI: InChI=1S/C31H40N6O4/c1-3-32-31(39)35-19-23-5-11-26(12-6-23)29-40-27(22(2)28(41-29)25-9-7-24(21-38)8-10-25)20-36-15-17-37(18-16-36)30-33-13-4-14-34-30/h4-14,22,27-29,38H,3,15-21H2,1-2H3,(H2,32,35,39)/t22-,27+,28+,29+/m0/s1
SMILES: C1C[C@@H]2OC[C@H]([C@@H]1N[C@H]3C=C([C@H]([C@@H]([C@H]3O)O)O)CO)O2
InChI: InChI=1S/C13H21NO6/c15-4-6-3-8(12(17)13(18)11(6)16)14-7-1-2-10-19-5-9(7)20-10/h3,7-18H,1-2,4-5H2/t7-,8+,9-,10-,11-,12+,13+/m1/s1
SMILES: CC1=NN(C2=C1[C@]3(CC[C@@H]4[C@@H]([C@H]3C2)CC=C5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C)C(=O)C
InChI: InChI=1S/C25H34N2O3/c1-14-23-22(27(26-14)15(2)28)13-21-19-7-6-17-12-18(30-16(3)29)8-10-24(17,4)20(19)9-11-25(21,23)5/h6,18-21H,7-13H2,1-5H3/t18-,19-,20+,21+,24-,25-/m0/s1
SMILES: C[C@H]1CC[C@H]([C@@H](C1)OC(=O)[C@](C)(C2=CC=CC=C2CC[C@H](C3=CC=CC(=C3)/C=C/C4=NC5=C(C=CC(=C5)Cl)C=C4)SCC6(CC6)CC(=O)O)O)C(C)(C)C7=CC=CC=C7
InChI: InChI=1S/C51H56ClNO5S/c1-34-17-25-43(49(2,3)39-14-6-5-7-15-39)45(29-34)58-48(56)50(4,57)42-16-9-8-12-36(42)21-26-46(59-33-51(27-28-51)32-47(54)55)38-13-10-11-35(30-38)18-23-41-24-20-37-19-22-40(52)31-44(37)53-41/h5-16,18-20,22-24,30-31,34,43,45-46,57H,17,21,25-29,32-33H2,1-4H3,(H,54,55)/b23-18+/t34-,43+,45+,46+,50-/m0/s1
SMILES: CCOC(=O)[C@H](C)OC(=O)[C@H]1CC=CC[C@@H]1C(=O)O[C@@H](C)C(=O)OCC
InChI: InChI=1S/C18H26O8/c1-5-23-15(19)11(3)25-17(21)13-9-7-8-10-14(13)18(22)26-12(4)16(20)24-6-2/h7-8,11-14H,5-6,9-10H2,1-4H3/t11-,12-,13-,14-/m0/s1
SMILES: C[C@H]1CCC[C@@]2(C[C@H]2C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=NC=C(C=C3)CO)/C)C
InChI: InChI=1S/C30H45NO6/c1-18-8-7-11-30(6)15-22(30)13-24(19(2)12-23-10-9-21(17-32)16-31-23)37-26(34)14-25(33)29(4,5)28(36)20(3)27(18)35/h9-10,12,16,18,20,22,24-25,27,32-33,35H,7-8,11,13-15,17H2,1-6H3/b19-12+/t18-,20+,22+,24-,25-,27-,30+/m0/s1
SMILES: C1C[C@H](CC=C1)[C@H]2[C@@H]3CC=C[C@H]3C4=C(N2)C(=CC(=C4[N+](=O)[O-])Cl)[O-]
InChI: InChI=1S/C18H19ClN2O3/c19-13-9-14(22)17-15(18(13)21(23)24)11-7-4-8-12(11)16(20-17)10-5-2-1-3-6-10/h1-2,4,7,9-12,16,20,22H,3,5-6,8H2/p-1/t10-,11+,12+,16-/m0/s1
SMILES: CC(C)[Si](C(C)C)(O[C@H]1C[C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6)OS(=O)(=O)C(F)(F)F
InChI: InChI=1S/C44H48F3N3O10SSi/c1-29(2)62(30(3)4,60-61(53,54)44(45,46)47)59-37-27-40(50-26-25-39(49-42(50)52)48-41(51)31-13-9-7-10-14-31)58-38(37)28-57-43(32-15-11-8-12-16-32,33-17-21-35(55-5)22-18-33)34-19-23-36(56-6)24-20-34/h7-26,29-30,37-38,40H,27-28H2,1-6H3,(H,48,49,51,52)/t37-,38+,40+/m0/s1
SMILES: CC1(O[C@H]2[C@H](C[C@@H]([C@@H]([C@H]2O1)O)O)C(=O)OC)C
InChI: InChI=1S/C11H18O6/c1-11(2)16-8-5(10(14)15-3)4-6(12)7(13)9(8)17-11/h5-9,12-13H,4H2,1-3H3/t5-,6-,7-,8-,9+/m0/s1
SMILES: COC1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)Br)OS(=O)(=O)C(F)(F)F
InChI: InChI=1S/C15H16BrF3O7S/c1-22-14-12(26-27(20,21)15(17,18)19)10(16)11-9(24-14)7-23-13(25-11)8-5-3-2-4-6-8/h2-6,9-14H,7H2,1H3/t9-,10+,11-,12-,13-,14?/m1/s1
SMILES: C1C[C@H]2C(=NO[C@@]2(C(F)(F)F)O)/C(=C/C3=CC=CC=C3)/C1
InChI: InChI=1S/C15H14F3NO2/c16-15(17,18)14(20)12-8-4-7-11(13(12)19-21-14)9-10-5-2-1-3-6-10/h1-3,5-6,9,12,20H,4,7-8H2/b11-9+/t12-,14-/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(C[C@H]3CCCO3)C(=O)[C@]45CC[C@](C4(C)C)(C(=O)O5)C)O)C6=C(C=C(C[C@H](CC1)O)C=C6)C(=O)C7=CC=CC=C7C8=CC=CC=C8)C
InChI: InChI=1S/C50H61NO7/c1-33-13-11-24-47(4)42(23-25-49(47,56)32-51(31-37-16-12-28-57-37)44(54)50-27-26-48(5,45(55)58-50)46(50,2)3)39-22-20-34(29-36(52)21-19-33)30-41(39)43(53)40-18-10-9-17-38(40)35-14-7-6-8-15-35/h6-10,13-15,17-18,20,22,30,36-37,42,52,56H,11-12,16,19,21,23-29,31-32H2,1-5H3/t36-,37+,42-,47-,48-,49+,50+/m0/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CCCC(=O)NC3=CC=CC4=CC=CC=C43
InChI: InChI=1S/C22H22N2O3/c25-20(23-19-12-5-8-15-7-1-2-9-16(15)19)13-6-14-24-21(26)17-10-3-4-11-18(17)22(24)27/h1-5,7-9,12,17-18H,6,10-11,13-14H2,(H,23,25)/t17-,18+
SMILES: CN1CC[C@]23[C@@H]4[C@@H](CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)N(CCCl)CCCl
InChI: InChI=1S/C21H28Cl2N2O3/c1-24-9-6-20-17-13-2-3-15(26)18(17)28-19(20)14(25(10-7-22)11-8-23)4-5-21(20,27)16(24)12-13/h2-3,14,16,19,26-27H,4-12H2,1H3/t14-,16-,19+,20+,21-/m1/s1
SMILES: C[C@H]1[C@H]2CCC3=C([C@]2(C[C@@H](C1=O)C(=O)OC)C)CC[C@]4([C@]3(CC[C@H]4[C@@H](C)CCCC(C)C)C)C
InChI: InChI=1S/C31H50O3/c1-19(2)10-9-11-20(3)23-14-16-31(7)26-13-12-24-21(4)27(32)22(28(33)34-8)18-29(24,5)25(26)15-17-30(23,31)6/h19-24H,9-18H2,1-8H3/t20-,21-,22-,23-,24+,29-,30+,31-/m0/s1
SMILES: CCOC(=O)CC([C@H]1[C@@H]([C@H]([C@H](O1)N2C(=O)NC(=O)C(=N2)C)OC(=O)C)OCC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C29H31N5O11/c1-4-42-22(36)14-21(30-27(38)19-10-12-20(13-11-19)34(40)41)23-24(43-15-18-8-6-5-7-9-18)25(44-17(3)35)28(45-23)33-29(39)31-26(37)16(2)32-33/h5-13,21,23-25,28H,4,14-15H2,1-3H3,(H,30,38)(H,31,37,39)/t21?,23-,24-,25+,28-/m0/s1
SMILES: CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)OP(=O)(O)O)OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O
InChI: InChI=1S/C46H88NO13P/c1-4-7-10-13-16-19-22-25-28-31-37(49)34-40(50)47-43-45(44(60-61(54,55)56)39(36-48)58-46(43)53)59-42(52)35-38(32-29-26-23-20-17-14-11-8-5-2)57-41(51)33-30-27-24-21-18-15-12-9-6-3/h37-39,43-46,48-49,53H,4-36H2,1-3H3,(H,47,50)(H2,54,55,56)/t37-,38-,39-,43-,44-,45-,46-/m1/s1
SMILES: CC(C)NC(=O)N(CC1=CC=CC=C1)C[C@@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@]35C=C[C@@]6([C@@]4(CCC(C6)O)C)C=C5C(=O)C7CCCCC7)C)O
InChI: InChI=1S/C40H56N2O4/c1-27(2)41-35(45)42(25-28-11-7-5-8-12-28)26-39(46)20-17-33-37(39,4)19-16-32-36(3)18-15-30(43)23-38(36)21-22-40(32,33)31(24-38)34(44)29-13-9-6-10-14-29/h5,7-8,11-12,21-22,24,27,29-30,32-33,43,46H,6,9-10,13-20,23,25-26H2,1-4H3,(H,41,45)/t30?,32-,33-,36-,37+,38+,39-,40-/m1/s1
SMILES: CCOC1=CC(=C(C=C1)C2=CC3=C4C(=C2)[C@@H]5CN(CC[C@@H]5N4CC3)C(=O)OC(C)(C)C)C(F)(F)F
InChI: InChI=1S/C27H31F3N2O3/c1-5-34-18-6-7-19(22(14-18)27(28,29)30)17-12-16-8-11-32-23-9-10-31(25(33)35-26(2,3)4)15-21(23)20(13-17)24(16)32/h6-7,12-14,21,23H,5,8-11,15H2,1-4H3/t21-,23-/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=CC=C6)Cl
InChI: InChI=1S/C28H24Cl2N2O6/c1-31-25(36)27(29)13-18-16(22(28(27,30)26(31)37)14-8-11-20(38-2)19(33)12-14)9-10-17-21(18)24(35)32(23(17)34)15-6-4-3-5-7-15/h3-9,11-12,17-18,21-22,33H,10,13H2,1-2H3/t17-,18+,21-,22-,27+,28-/m0/s1
SMILES: C[C@H]1[C@H](O[C@](CC1=C)([C@H]2C(=O)N([C@@H](O2)[C@@H]3[C@@H]([C@H](C([C@H](O3)C[C@H](COC(=O)C)OC(=O)C)(C)C)OC)OC(=O)C)C(=O)C)OC)C
InChI: InChI=1S/C31H47NO13/c1-15-13-31(39-11,45-17(3)16(15)2)27-28(37)32(18(4)33)29(44-27)25-24(42-21(7)36)26(38-10)30(8,9)23(43-25)12-22(41-20(6)35)14-40-19(5)34/h16-17,22-27,29H,1,12-14H2,2-11H3/t16-,17-,22-,23-,24+,25+,26-,27-,29+,31-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1[C@@H](N1CC2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C22H31NOSi/c1-22(2,3)25(4,5)24-17-20-21(19-14-10-7-11-15-19)23(20)16-18-12-8-6-9-13-18/h6-15,20-21H,16-17H2,1-5H3/t20-,21-,23?/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)C5=CC=C(C=C5)I)C6=CC=CC=C6OCCO
InChI: InChI=1S/C31H26INO6/c1-16-14-24(35)23-15-22-19(26(28(23)29(16)36)20-4-2-3-5-25(20)39-13-12-34)10-11-21-27(22)31(38)33(30(21)37)18-8-6-17(32)7-9-18/h2-10,14,21-22,26-27,34H,11-13,15H2,1H3/t21-,22+,26+,27-/m0/s1
SMILES: CCCN([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(=C(C=C6)OC)C=O)OCC=C)CCCCO)CCCCO)C(=O)OCC
InChI: InChI=1S/C46H62N2O11/c1-5-21-48(45(52)54-7-3)41-29-38(47-59-42-16-10-13-25-55-42)36-27-31(14-8-11-22-49)35(15-9-12-23-50)43-37-28-34(57-33-17-19-39(53-4)32(26-33)30-51)18-20-40(37)58-46(41,44(36)43)56-24-6-2/h6,17-20,26-28,30-31,35,41-44,49-50H,2,5,7-16,21-25,29H2,1,3-4H3/t31-,35+,41-,42?,43+,44+,46+/m0/s1
SMILES: C1=CC=C(C=C1)[C@]23[C@@H]4C=CC5=C([C@@H](C4=O)[C@](O2)(C6=CC=CC=C36)C7=CC=CC=C7)C(=O)[C@H]8[C@@]5([C@]9(C1=CC=CC=C1[C@@]8(O9)C1=CC=CC=C1)C1=CC=CC=C1)Br
InChI: InChI=1S/C50H33BrO4/c51-49-39-29-30-40-43(52)42(47(32-19-7-2-8-20-32)36-26-14-13-25-35(36)46(40,54-47)31-17-5-1-6-18-31)41(39)44(53)45(49)48(33-21-9-3-10-22-33)37-27-15-16-28-38(37)50(49,55-48)34-23-11-4-12-24-34/h1-30,40,42,45H/t40-,42+,45-,46+,47-,48+,49+,50-/m1/s1
SMILES: CCCCN(C)C(=O)CCCCCCCCCCS[C@@H]1CC2=C(C=CC(=C2)O)C3C1C4CC[C@@H]([C@]4(CC3)C)O
InChI: InChI=1S/C34H55NO3S/c1-4-5-21-35(3)32(38)14-12-10-8-6-7-9-11-13-22-39-30-24-25-23-26(36)15-16-27(25)28-19-20-34(2)29(33(28)30)17-18-31(34)37/h15-16,23,28-31,33,36-37H,4-14,17-22,24H2,1-3H3/t28?,29?,30-,31+,33?,34+/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2)O[13C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C37H29N3O10/c41-32(24-13-5-1-6-14-24)38-29-21-22-40(37(45)39-29)50-36-31(49-35(44)27-19-11-4-12-20-27)30(48-34(43)26-17-9-3-10-18-26)28(47-36)23-46-33(42)25-15-7-2-8-16-25/h1-22,28,30-31,36H,23H2,(H,38,39,41,45)/t28-,30-,31-,36+/m1/s1/i36+1
SMILES: CC1=CC2=C(C=C1)N([C@H]3[C@@H]2CN(CC3)C)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]
InChI: InChI=1S/C19H21N3O4S/c1-13-7-8-16-14(11-13)15-12-20(2)10-9-17(15)21(16)27(25,26)19-6-4-3-5-18(19)22(23)24/h3-8,11,15,17H,9-10,12H2,1-2H3/t15-,17-/m1/s1
SMILES: C[C@@H](C1=CC=CC=C1)N.C1C[C@@H]2C[C@@]([C@@H]2C1)(CC(=O)O)C[N+](=O)[O-]
InChI: InChI=1S/C10H15NO4.C8H11N/c12-9(13)5-10(6-11(14)15)4-7-2-1-3-8(7)10;1-7(9)8-5-3-2-4-6-8/h7-8H,1-6H2,(H,12,13);2-7H,9H2,1H3/t7-,8-,10-;7-/m10/s1
SMILES: C#CCOC1(O[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O1)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C37H30O10/c1-2-23-42-37(28-21-13-6-14-22-28)46-32-31(45-35(40)27-19-11-5-12-20-27)30(44-34(39)26-17-9-4-10-18-26)29(43-36(32)47-37)24-41-33(38)25-15-7-3-8-16-25/h1,3-22,29-32,36H,23-24H2/t29-,30-,31+,32-,36-,37?/m1/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2OP(=O)(O)OP(=O)(O)O
InChI: InChI=1S/C10H20O7P2/c1-9(2)7-4-5-10(9,3)8(6-7)16-19(14,15)17-18(11,12)13/h7-8H,4-6H2,1-3H3,(H,14,15)(H2,11,12,13)/t7-,8+,10+/m1/s1
SMILES: CCO[C@@H]1CN(C[C@@H]([C@H]1C2=CC=C(C=C2)OCCCOCC3=CC=CC=C3)O)C(=O)OC(C)(C)C
InChI: InChI=1S/C28H39NO6/c1-5-33-25-19-29(27(31)35-28(2,3)4)18-24(30)26(25)22-12-14-23(15-13-22)34-17-9-16-32-20-21-10-7-6-8-11-21/h6-8,10-15,24-26,30H,5,9,16-20H2,1-4H3/t24-,25+,26+/m0/s1
SMILES: CN1C2=CC(=C(C=C2N=C(C1=O)CCN3C(=O)N4CC=C5[C@H](N4C3=O)C[C@]6(C(=O)N(C(=O)[C@]6([C@H]5C7=C(C=CC(=C7)Cl)O)Cl)C8=C(C(=C(C(=C8F)F)F)F)F)Cl)OC)OC
InChI: InChI=1S/C37H26Cl3F5N6O8/c1-47-19-12-23(59-3)22(58-2)11-18(19)46-17(31(47)53)7-8-48-34(56)49-9-6-15-20(51(49)35(48)57)13-36(39)32(54)50(30-28(44)26(42)25(41)27(43)29(30)45)33(55)37(36,40)24(15)16-10-14(38)4-5-21(16)52/h4-6,10-12,20,24,52H,7-9,13H2,1-3H3/t20-,24-,36-,37+/m1/s1
SMILES: CC(C)(C(Cl)(Cl)Cl)OC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1OCC2=CC=CC=C2)COCC3=CC=CC=C3)OCC=C)NC(=O)OCC(Cl)(Cl)Cl
InChI: InChI=1S/C31H35Cl6NO9/c1-4-15-42-26-23(38-27(39)44-19-30(32,33)34)25(46-28(40)47-29(2,3)31(35,36)37)24(43-17-21-13-9-6-10-14-21)22(45-26)18-41-16-20-11-7-5-8-12-20/h4-14,22-26H,1,15-19H2,2-3H3,(H,38,39)/t22-,23-,24-,25-,26+/m1/s1