EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CC(=O)OCC(=O)N3CC(=O)NC4=CC=CC=C43
InChI: InChI=1S/C20H21N3O6/c24-16-9-22(15-8-4-3-7-14(15)21-16)17(25)11-29-18(26)10-23-19(27)12-5-1-2-6-13(12)20(23)28/h3-4,7-8,12-13H,1-2,5-6,9-11H2,(H,21,24)/t12-,13-/m0/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C18H23ClN2O/c19-15-2-1-3-16(12-15)20-6-8-21(9-7-20)18(22)17-11-13-4-5-14(17)10-13/h1-3,12-14,17H,4-11H2/t13-,14+,17-/m0/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)N(N=N3)CC(=O)NC4=CC=C(C=C4)C(C)C
InChI: InChI=1S/C23H25N5O3/c1-4-15-5-11-18(12-6-15)28-22(30)20-21(23(28)31)27(26-25-20)13-19(29)24-17-9-7-16(8-10-17)14(2)3/h5-12,14,20-21H,4,13H2,1-3H3,(H,24,29)/t20-,21+/m1/s1
SMILES: C[C@]12CCC3C([C@@H]1CC[C@@H]2C4=NC5=C(N4C)C=CC(=C5)Cl)CC[C@@H]6[C@@]3(C=CC(=O)N6C)C
InChI: InChI=1S/C27H34ClN3O/c1-26-13-11-19-17(6-10-23-27(19,2)14-12-24(32)31(23)4)18(26)7-8-20(26)25-29-21-15-16(28)5-9-22(21)30(25)3/h5,9,12,14-15,17-20,23H,6-8,10-11,13H2,1-4H3/t17?,18-,19?,20+,23+,26-,27+/m0/s1
SMILES: CC(=C)C[C@@H]([C@@H]1C(=C=CCCCC=C)[C@@H]2[C@H](O1)OC(O2)(C)C)O
InChI: InChI=1S/C19H28O4/c1-6-7-8-9-10-11-14-16(15(20)12-13(2)3)21-18-17(14)22-19(4,5)23-18/h6,10,15-18,20H,1-2,7-9,12H2,3-5H3/t11?,15-,16-,17+,18+/m0/s1
SMILES: CC1=CC=CC=C1NC(=O)C2=CC3=C4C(=C2)[C@H]5C=CC[C@@H]5CN4C[C@H]6[C@@H]3C=CC6
InChI: InChI=1S/C26H26N2O/c1-16-6-2-3-11-24(16)27-26(29)19-12-22-20-9-4-7-17(20)14-28-15-18-8-5-10-21(18)23(13-19)25(22)28/h2-6,9-13,17-18,20-21H,7-8,14-15H2,1H3,(H,27,29)/t17-,18+,20-,21-/m0/s1
SMILES: C1[C@H]([C@@H]([C@@H]([C@H]1N2C=NC3=C(N=CN=C32)N)O)O)CO
InChI: InChI=1S/C11H15N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,8-9,17-19H,1-2H2,(H2,12,13,14)/t5-,6-,8-,9+/m0/s1
SMILES: COC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)N(C(=O)[C@@]34[C@H]([C@@H]5C(=O)O[C@H]([C@H](N5[C@H]4C6=CC=CC=C6OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)O)C(=O)OCC9=CC=C(C=C9)[N+](=O)[O-]
InChI: InChI=1S/C52H41N3O12/c1-64-38-25-20-32(21-26-38)16-17-33-22-27-41-40(30-33)52(50(60)53(41)51(61)66-31-34-18-23-37(24-19-34)55(62)63)43(48(57)58)45-49(59)67-46(36-12-6-3-7-13-36)44(35-10-4-2-5-11-35)54(45)47(52)39-14-8-9-15-42(39)65-29-28-56/h2-15,18-27,30,43-47,56H,28-29,31H2,1H3,(H,57,58)/t43-,44-,45-,46+,47+,52-/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=C4CNC(=O)[C@@H]5CCCN5C(=O)C(F)(F)F)CN6CCC[C@H]6C(=O)OC(C)(C)C
InChI: InChI=1S/C42H50F3N3O7/c1-26-35(24-47-21-7-12-34(47)38(51)55-41(2,3)4)53-39(54-36(26)29-15-13-27(25-49)14-16-29)30-19-17-28(18-20-30)32-10-6-5-9-31(32)23-46-37(50)33-11-8-22-48(33)40(52)42(43,44)45/h5-6,9-10,13-20,26,33-36,39,49H,7-8,11-12,21-25H2,1-4H3,(H,46,50)/t26-,33+,34+,35+,36+,39+/m1/s1
SMILES: COCC(=O)N(CC1CCCCC1)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=CC=CC=C3I)C(=O)NCCO
InChI: InChI=1S/C25H35IN2O6/c1-33-16-23(30)28(15-17-7-3-2-4-8-17)20-13-18(25(32)27-11-12-29)14-22(24(20)31)34-21-10-6-5-9-19(21)26/h5-6,9-10,14,17,20,22,24,29,31H,2-4,7-8,11-13,15-16H2,1H3,(H,27,32)/t20-,22+,24+/m1/s1
SMILES: CCOC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)N(N=C3C(=O)OCC)C(=O)C
InChI: InChI=1S/C18H19N3O6/c1-4-26-12-8-6-11(7-9-12)20-16(23)13-14(18(25)27-5-2)19-21(10(3)22)15(13)17(20)24/h6-9,13,15H,4-5H2,1-3H3/t13-,15+/m1/s1
SMILES: C[C@@]12CC[C@H]3[C@@](O3)(C(=O)OC[C@H]4[C@@](O4)(CC[C@@H]5[C@](O5)(C(=O)OC[C@H]1O2)C)C)C
InChI: InChI=1S/C20H28O8/c1-17-7-5-11-19(3,27-11)16(22)24-10-14-18(2,26-14)8-6-12-20(4,28-12)15(21)23-9-13(17)25-17/h11-14H,5-10H2,1-4H3/t11-,12+,13+,14-,17+,18-,19+,20-
SMILES: C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@@H]([C@H]2O)OC[C@@H]3[C@H]([C@@H]([C@@H]([C@H](O3)O)O)O)O)CO)O)O)O)O)O
InChI: InChI=1S/C18H32O16/c19-1-4-7(21)11(25)13(27)18(33-4)34-15-9(23)5(2-20)32-17(14(15)28)30-3-6-8(22)10(24)12(26)16(29)31-6/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11+,12+,13+,14+,15+,16+,17+,18-/m1/s1
SMILES: CC1=C(C(=O)O[C@H](C1)[C@]2([C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4C[C@@H]6[C@]7([C@@]5(C(=O)C=C[C@@H]7O)C)O6)C(=O)O2)C)C
InChI: InChI=1S/C28H34O7/c1-13-11-21(33-23(31)14(13)2)26(4)18-6-5-17-15-12-22-28(34-22)20(30)8-7-19(29)25(28,3)16(15)9-10-27(17,18)24(32)35-26/h7-8,15-18,20-22,30H,5-6,9-12H2,1-4H3/t15-,16+,17+,18-,20+,21-,22-,25+,26-,27-,28-/m1/s1
SMILES: CC1=C2C=C3[C@@H]([C@H](C4=CC=CC=C4C3=CC2=CC=C1)O)O
InChI: InChI=1S/C19H16O2/c1-11-5-4-6-12-9-16-13-7-2-3-8-14(13)18(20)19(21)17(16)10-15(11)12/h2-10,18-21H,1H3/t18-,19-/m0/s1
SMILES: C1[C@@H]2[C@@H]3[C@H]([C@H]1[C@H]([C@H]2Br)Br)C(=O)N(C3=O)CC(=O)O
InChI: InChI=1S/C11H11Br2NO4/c12-8-3-1-4(9(8)13)7-6(3)10(17)14(11(7)18)2-5(15)16/h3-4,6-9H,1-2H2,(H,15,16)/t3-,4+,6-,7+,8+,9-
SMILES: C[C@]1(CC(=O)[C@@H]([C@H]([C@H]1C(=O)OC)C2=CN=CC=C2)C(=O)OC)O
InChI: InChI=1S/C16H19NO6/c1-16(21)7-10(18)12(14(19)22-2)11(13(16)15(20)23-3)9-5-4-6-17-8-9/h4-6,8,11-13,21H,7H2,1-3H3/t11-,12+,13+,16-/m1/s1
SMILES: C[C@@H]1C=C(C(=O)[C@]2([C@H]1C[C@@H]3[C@]45C2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)CC(C)C)(OC5)C(=O)OC)O)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
InChI: InChI=1S/C32H44O16/c1-11(2)6-17(34)48-22-24-31-10-44-32(24,29(42)43-5)26(40)21(38)23(31)30(4)13(8-16(31)47-27(22)41)12(3)7-14(25(30)39)45-28-20(37)19(36)18(35)15(9-33)46-28/h7,11-13,15-16,18-24,26,28,33,35-38,40H,6,8-10H2,1-5H3/t12-,13+,15-,16-,18-,19+,20-,21-,22-,23?,24-,26+,28-,30+,31-,32+/m1/s1
SMILES: CCOC(=O)C1=C(SC=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C12H16O6S/c1-2-17-12(16)6-3-4-19-11(6)10-9(15)8(14)7(5-13)18-10/h3-4,7-10,13-15H,2,5H2,1H3/t7-,8-,9-,10-/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)CCCC(=O)O)CN(C)[C@H](C)C5=CC6=CC=CC=C6C=C5
InChI: InChI=1S/C44H48N2O6/c1-29-40(27-46(3)30(2)35-22-21-33-10-4-5-11-37(33)24-35)51-44(52-43(29)34-19-17-31(28-47)18-20-34)39-14-7-13-38(25-39)36-12-6-9-32(23-36)26-45-41(48)15-8-16-42(49)50/h4-7,9-14,17-25,29-30,40,43-44,47H,8,15-16,26-28H2,1-3H3,(H,45,48)(H,49,50)/t29-,30+,40+,43+,44+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OC)CO)N)OC(=O)C)OC(=O)C
InChI: InChI=1S/C19H31NO13/c1-7(22)28-6-11-16(29-8(2)23)17(30-9(3)24)12(20)18(32-11)33-15-10(5-21)31-19(27-4)14(26)13(15)25/h10-19,21,25-26H,5-6,20H2,1-4H3/t10-,11-,12-,13-,14-,15+,16+,17+,18+,19+/m1/s1
SMILES: CCCOC(=O)C1=C(SC2=C1CC[C@H](C2)C)NC(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C(=O)O
InChI: InChI=1S/C22H29NO5S/c1-3-8-28-22(27)18-14-7-4-11(2)9-15(14)29-20(18)23-19(24)16-12-5-6-13(10-12)17(16)21(25)26/h11-13,16-17H,3-10H2,1-2H3,(H,23,24)(H,25,26)/t11-,12-,13+,16+,17+/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)C[C@@H](C(=O)O)NC(=O)C4=C(C=CC=C4Cl)Cl
InChI: InChI=1S/C24H22Cl2N2O5/c25-17-6-3-7-18(26)20(17)21(29)27-19(24(32)33)12-13-8-10-14(11-9-13)28-22(30)15-4-1-2-5-16(15)23(28)31/h3,6-11,15-16,19H,1-2,4-5,12H2,(H,27,29)(H,32,33)/t15-,16-,19+/m1/s1
SMILES: COC1=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)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)C7=CC=C(C=C7)C(=O)C8=CC=CC=C8)Br)O
InChI: InChI=1S/C40H28BrCl2FN2O7/c1-53-30-18-22(17-29(41)34(30)48)32-26-15-16-27-31(28(26)19-39(42)37(51)46(38(52)40(32,39)43)25-13-9-23(44)10-14-25)36(50)45(35(27)49)24-11-7-21(8-12-24)33(47)20-5-3-2-4-6-20/h2-15,17-18,27-28,31-32,48H,16,19H2,1H3/t27-,28+,31-,32-,39+,40-/m0/s1
SMILES: CC(C)NC(=O)OC[C@H](C(C)(C)C)NC(=O)N[C@@H](C1CCCC1)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)NC(CC4CCC4)C(=O)C(=O)N)C3(C)C
InChI: InChI=1S/C34H56N6O7/c1-18(2)36-32(46)47-17-23(33(3,4)5)38-31(45)39-25(20-13-8-9-14-20)30(44)40-16-21-24(34(21,6)7)26(40)29(43)37-22(27(41)28(35)42)15-19-11-10-12-19/h18-26H,8-17H2,1-7H3,(H2,35,42)(H,36,46)(H,37,43)(H2,38,39,45)/t21-,22?,23+,24-,25-,26-/m0/s1
SMILES: C[C@@]12[C@H](C=C([C@@]1([C@@H](C=C2C#N)C3=CC=CC=C3)C)C#N)C4=CC=CC=C4
InChI: InChI=1S/C24H20N2/c1-23-19(15-25)13-22(18-11-7-4-8-12-18)24(23,2)20(16-26)14-21(23)17-9-5-3-6-10-17/h3-14,21-22H,1-2H3/t21-,22+,23-,24-/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)OC)O)C(=O)N(C5=O)CCCCCC(=O)O
InChI: InChI=1S/C41H43N3O9/c1-23-13-15-25(16-14-23)42-44-38(49)30-22-29-27(17-18-28-34(29)39(50)43(37(28)48)19-9-5-8-12-33(46)47)36(35-31(45)20-26(52-2)21-32(35)53-3)41(30,40(44)51)24-10-6-4-7-11-24/h4,6-7,10-11,13-17,20-21,28-30,34,36,42,45H,5,8-9,12,18-19,22H2,1-3H3,(H,46,47)/t28-,29+,30-,34-,36+,41+/m0/s1
SMILES: C1CC[C@@H]2CN(CC[C@H]2C1)C(=O)CSC3=NN=C(N3N)C(F)(F)F
InChI: InChI=1S/C14H20F3N5OS/c15-14(16,17)12-19-20-13(22(12)18)24-8-11(23)21-6-5-9-3-1-2-4-10(9)7-21/h9-10H,1-8,18H2/t9-,10-/m1/s1
SMILES: CCCC[C@H]1CCC[C@@H]([C@@H]1C(=O)OCC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C19H38O3Si/c1-8-10-12-15-13-11-14-16(17(15)18(20)21-9-2)22-23(6,7)19(3,4)5/h15-17H,8-14H2,1-7H3/t15-,16-,17+/m0/s1
SMILES: CCCCN1C(=O)[C@@H]2[C@H](N[C@@]3([C@@H]2C1=O)C4=C(C=CC(=C4)F)NC3=O)CCC(=O)N
InChI: InChI=1S/C20H23FN4O4/c1-2-3-8-25-17(27)15-13(6-7-14(22)26)24-20(16(15)18(25)28)11-9-10(21)4-5-12(11)23-19(20)29/h4-5,9,13,15-16,24H,2-3,6-8H2,1H3,(H2,22,26)(H,23,29)/t13-,15-,16+,20-/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)CNC(=O)NCC4=CC=CC=C4)CN5CCCCCCC5
InChI: InChI=1S/C35H45N3O4/c1-26-32(24-38-20-8-3-2-4-9-21-38)41-34(42-33(26)30-16-14-29(25-39)15-17-30)31-18-12-28(13-19-31)23-37-35(40)36-22-27-10-6-5-7-11-27/h5-7,10-19,26,32-34,39H,2-4,8-9,20-25H2,1H3,(H2,36,37,40)/t26-,32+,33+,34+/m0/s1
SMILES: CCC[C@H]([C@@H]1[C@H](CCN1C(=O)OCC2=CC=CC=C2)O)C(=O)OCC
InChI: InChI=1S/C19H27NO5/c1-3-8-15(18(22)24-4-2)17-16(21)11-12-20(17)19(23)25-13-14-9-6-5-7-10-14/h5-7,9-10,15-17,21H,3-4,8,11-13H2,1-2H3/t15-,16+,17-/m1/s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=C[C@H](C4[C@]3(CCC5[C@@]4([C@@H]([C@H]([C@@H](C5(C)C)O)O)O)C)C)O)C2[C@H]1C)C)C
InChI: InChI=1S/C30H50O4/c1-16-9-11-27(5)13-14-28(6)18(21(27)17(16)2)15-19(31)23-29(28,7)12-10-20-26(3,4)24(33)22(32)25(34)30(20,23)8/h15-17,19-25,31-34H,9-14H2,1-8H3/t16-,17+,19-,20?,21?,22+,23?,24+,25-,27-,28-,29-,30+/m1/s1
SMILES: [Li+].C[C@H]1CC[C@@H]([C@H](C1)O/C(=C/P(=O)(OC)OC)/[O-])C(C)(C)C2=CC=CC=C2
InChI: InChI=1S/C20H31O5P.Li/c1-15-11-12-17(20(2,3)16-9-7-6-8-10-16)18(13-15)25-19(21)14-26(22,23-4)24-5;/h6-10,14-15,17-18,21H,11-13H2,1-5H3;/q;+1/p-1/b19-14+;/t15-,17-,18-;/m0./s1
SMILES: CCCCCC1=NN=C(S1)NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O
InChI: InChI=1S/C18H26N4O3S/c1-2-3-4-9-15-20-21-18(26-15)19-14(23)10-11-22-16(24)12-7-5-6-8-13(12)17(22)25/h12-13H,2-11H2,1H3,(H,19,21,23)/t12-,13-/m1/s1
SMILES: CCCCCCC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI: InChI=1S/C17H26N5O8P/c1-2-3-4-5-6-11(23)30-31(26,27)28-7-10-13(24)14(25)17(29-10)22-9-21-12-15(18)19-8-20-16(12)22/h8-10,13-14,17,24-25H,2-7H2,1H3,(H,26,27)(H2,18,19,20)/t10-,13-,14-,17-/m1/s1
SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(NCC(=O)[O-])[O-])O)O.[Na+].[Na+]
InChI: InChI=1S/C11H17N4O9P.2Na/c12-6-1-2-15(11(20)14-6)10-9(19)8(18)5(24-10)4-23-25(21,22)13-3-7(16)17;;/h1-2,5,8-10,18-19H,3-4H2,(H,16,17)(H2,12,14,20)(H2,13,21,22);;/q;2*+1/p-2/t5-,8-,9-,10-;;/m1../s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O
InChI: InChI=1S/C14H19N3O3S/c1-9-4-2-3-5-11(9)15-14(21)16-12-8-10(17(19)20)6-7-13(12)18/h6-9,11,18H,2-5H2,1H3,(H2,15,16,21)/t9-,11-/m1/s1
SMILES: CC1=N[C@]2([C@H](O[C@@]2(O1)OC)C3=CC4=CC=CC=C4C=C3)C
InChI: InChI=1S/C17H17NO3/c1-11-18-16(2)15(21-17(16,19-3)20-11)14-9-8-12-6-4-5-7-13(12)10-14/h4-10,15H,1-3H3/t15-,16+,17-/m1/s1
SMILES: C1=CC=C(C(=C1)[C@H]2[C@@H](C(=S)NC(=C2C#N)N)C(=O)N)F
InChI: InChI=1S/C13H11FN4OS/c14-8-4-2-1-3-6(8)9-7(5-15)11(16)18-13(20)10(9)12(17)19/h1-4,9-10H,16H2,(H2,17,19)(H,18,20)/t9-,10-/m1/s1
SMILES: CC(C)C1=C(C=C2C(=C1)CC[C@H]3[C@]2(CC(=O)CC3(C)C)C(=O)OC)OC
InChI: InChI=1S/C22H30O4/c1-13(2)16-9-14-7-8-19-21(3,4)11-15(23)12-22(19,20(24)26-6)17(14)10-18(16)25-5/h9-10,13,19H,7-8,11-12H2,1-6H3/t19-,22-/m1/s1
SMILES: C1COCCN1C(=O)C2=CC=C(C=C2)N3C(=O)[C@H]4[C@@H]5C[C@H]([C@@H]4C3=O)C=C5
InChI: InChI=1S/C20H20N2O4/c23-18(21-7-9-26-10-8-21)12-3-5-15(6-4-12)22-19(24)16-13-1-2-14(11-13)17(16)20(22)25/h1-6,13-14,16-17H,7-11H2/t13-,14+,16-,17-/m0/s1
SMILES: CCCC(=O)NC1=CN(C(=N1)C(=O)N2C[C@@H]3C[C@]34C2=CC(=O)C5=C4C(=CN5)C)COC
InChI: InChI=1S/C22H25N5O4/c1-4-5-17(29)24-16-10-26(11-31-3)20(25-16)21(30)27-9-13-7-22(13)15(27)6-14(28)19-18(22)12(2)8-23-19/h6,8,10,13,23H,4-5,7,9,11H2,1-3H3,(H,24,29)/t13-,22+/m0/s1
SMILES: CC[C@@H]1[C@@](C2[C@H](C(=NC(=O)C)[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)(OC/C(=N/OCC4=CC(=NO4)C5=NC(=CC=C5)Br)/CO2)C)C)C)(C)O
InChI: InChI=1S/C43H62BrN5O12/c1-12-33-43(9,54)39-24(4)35(45-27(7)50)22(2)18-42(8,56-20-28(19-55-39)47-57-21-29-17-31(48-61-29)30-14-13-15-34(44)46-30)38(25(5)36(51)26(6)40(53)59-33)60-41-37(52)32(49(10)11)16-23(3)58-41/h13-15,17,22-26,32-33,37-39,41,52,54H,12,16,18-21H2,1-11H3/b45-35?,47-28+/t22-,23-,24+,25+,26-,32+,33-,37-,38-,39?,41+,42-,43-/m1/s1
SMILES: C[C@H](/C=C/[C@@H](C)C(C)C)[C@H]1CC[C@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20-,22+,24-,25-,26+,27+,28-/m1/s1
SMILES: C1[C@@H]2C[C@@H]3[C@H]1C[C@H]2C3=C4C5=CC=CC=C5C6=CC=CC=C64
InChI: InChI=1S/C21H18/c1-3-7-16-14(5-1)15-6-2-4-8-17(15)20(16)21-18-10-12-9-13(18)11-19(12)21/h1-8,12-13,18-19H,9-11H2/t12-,13-,18-,19-/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F
InChI: InChI=1S/C19H24FN3O4S/c20-14-5-7-15(8-6-14)28(26,27)22-11-9-21(10-12-22)13-23-18(24)16-3-1-2-4-17(16)19(23)25/h5-8,16-17H,1-4,9-13H2/t16-,17-/m1/s1
SMILES: CCCCCCO[C@@]1([C@@H]([C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C=C
InChI: InChI=1S/C42H50O6/c1-3-5-6-19-28-47-42(4-2)41(46-32-37-26-17-10-18-27-37)40(45-31-36-24-15-9-16-25-36)39(44-30-35-22-13-8-14-23-35)38(48-42)33-43-29-34-20-11-7-12-21-34/h4,7-18,20-27,38-41H,2-3,5-6,19,28-33H2,1H3/t38-,39+,40+,41-,42+/m1/s1
SMILES: CCCC1O[C@H]2CC3C4CCC5=CC(=O)C=C[C@@]5(C4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)C)O)C
InChI: InChI=1S/C31H42O12/c1-4-5-21-41-20-11-17-16-7-6-14-10-15(32)8-9-29(14,2)22(16)18(33)12-30(17,3)31(20,43-21)19(34)13-40-28-25(37)23(35)24(36)26(42-28)27(38)39/h8-10,16-18,20-26,28,33,35-37H,4-7,11-13H2,1-3H3,(H,38,39)/t16?,17?,18-,20-,21?,22?,23-,24-,25+,26-,28+,29-,30-,31+/m0/s1
SMILES: COC(=O)C1=CO[C@H]([C@@H]([C@@H]1C/C=C(/C=O)\[C@H]2[C@H]([C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C=C)C=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C33H44O19/c1-4-14-16(17(29(45)46-3)11-47-30(14)51-32-26(41)24(39)22(37)19(9-35)49-32)7-6-13(8-34)21-15(5-2)31(48-12-18(21)28(43)44)52-33-27(42)25(40)23(38)20(10-36)50-33/h4-6,8,11-12,14-16,19-27,30-33,35-42H,1-2,7,9-10H2,3H3,(H,43,44)/b13-6-/t14-,15-,16+,19-,20-,21+,22-,23-,24+,25+,26-,27-,30+,31+,32+,33+/m1/s1
SMILES: C[C@@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@H]3CNCCC4=CC(=C(C=C4)OC)OC)C
InChI: InChI=1S/C25H35NO4/c1-16-6-5-10-25(2)14-23-18(13-20(16)25)19(24(27)30-23)15-26-11-9-17-7-8-21(28-3)22(12-17)29-4/h7-8,12-13,16,18-19,23,26H,5-6,9-11,14-15H2,1-4H3/t16-,18-,19+,23-,25-/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)C4=CN=CC=C4)CN5[C@@H]6CCCC[C@@H]6CC[C@@H]5C(=O)NC(C)(C)C
InChI: InChI=1S/C39H50N4O5/c1-25-34(23-43-32-13-6-5-9-27(32)18-19-33(43)37(46)42-39(2,3)4)47-38(48-35(25)28-16-14-26(24-44)15-17-28)29-10-7-12-31(21-29)41-36(45)30-11-8-20-40-22-30/h7-8,10-12,14-17,20-22,25,27,32-35,38,44H,5-6,9,13,18-19,23-24H2,1-4H3,(H,41,45)(H,42,46)/t25-,27-,32-,33-,34+,35+,38+/m1/s1
SMILES: C[C@@H]1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C5C(=C(C=C4)O)C(=C6C(=O)C[C@H]([C@H]([C@]6(O5)COC(=O)C)OC(=O)C)C)O)O[C@@]2([C@@H]1OC(=O)C)COC(=O)C)O
InChI: InChI=1S/C38H38O16/c1-15-11-25(45)30-33(48)28-26(53-37(30,13-49-17(3)39)35(15)51-19(5)41)10-8-21(31(28)46)22-7-9-23(43)27-32(47)29-24(44)12-16(2)36(52-20(6)42)38(29,54-34(22)27)14-50-18(4)40/h7-10,15-16,35-36,43,46-48H,11-14H2,1-6H3/t15-,16-,35-,36-,37+,38+/m1/s1
SMILES: COC1=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)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)N(C4=O)CCC(=O)O)O
InChI: InChI=1S/C30H21Cl2F5N2O8/c1-47-15-8-10(2-5-14(15)40)18-11-3-4-12-17(26(44)38(25(12)43)7-6-16(41)42)13(11)9-29(31)27(45)39(28(46)30(18,29)32)24-22(36)20(34)19(33)21(35)23(24)37/h2-3,5,8,12-13,17-18,40H,4,6-7,9H2,1H3,(H,41,42)/t12-,13+,17-,18-,29+,30-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O[C@H]5[C@H]6[C@H]([C@@H]([C@H](O5)COCC7=CC=CC=C7)OCC8=CC=CC=C8)OC(=O)O6)C)C
InChI: InChI=1S/C48H68O7/c1-31(2)13-12-14-32(3)38-21-22-39-37-20-19-35-27-36(23-25-47(35,4)40(37)24-26-48(38,39)5)52-45-44-43(54-46(49)55-44)42(51-29-34-17-10-7-11-18-34)41(53-45)30-50-28-33-15-8-6-9-16-33/h6-11,15-18,31-32,35-45H,12-14,19-30H2,1-5H3/t32-,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-,47+,48-/m1/s1
SMILES: C1CC[C@@H]2[C@H](C1)CCCN2C(=O)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4
InChI: InChI=1S/C20H24N2O7/c23-19(21-7-3-5-13-4-1-2-6-15(13)21)12-29-20(24)14-10-17-18(28-9-8-27-17)11-16(14)22(25)26/h10-11,13,15H,1-9,12H2/t13-,15-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@H]1C)NC(=O)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC
InChI: InChI=1S/C19H26N2O7/c1-11-6-5-7-14(12(11)2)20-18(22)10-28-19(23)13-8-16(26-3)17(27-4)9-15(13)21(24)25/h8-9,11-12,14H,5-7,10H2,1-4H3,(H,20,22)/t11-,12+,14-/m1/s1
SMILES: CCOC(=O)C1=C(NC2=C([C@H]1C3=CC=CC=C3[N+](=O)[O-])C(=O)[C@H]([C@H](C2)C)C(=O)OC)C
InChI: InChI=1S/C22H24N2O7/c1-5-31-22(27)17-12(3)23-14-10-11(2)16(21(26)30-4)20(25)19(14)18(17)13-8-6-7-9-15(13)24(28)29/h6-9,11,16,18,23H,5,10H2,1-4H3/t11-,16-,18-/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H](CC2=C(C1=O)[C@@H](C(=C(N2)C)C(=O)OCC)C3=CC(=CC=C3)Br)C4=CC(=CC=C4)OC
InChI: InChI=1S/C29H30BrNO6/c1-5-36-28(33)23-16(3)31-22-15-21(17-9-8-12-20(14-17)35-4)25(29(34)37-6-2)27(32)26(22)24(23)18-10-7-11-19(30)13-18/h7-14,21,24-25,31H,5-6,15H2,1-4H3/t21-,24+,25-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)/C=C/C2=CC(=C(C=C2)OCC=C)OC
InChI: InChI=1S/C22H29NO5/c1-4-13-27-19-11-9-17(14-20(19)26-3)10-12-22(25)28-15-21(24)23-18-8-6-5-7-16(18)2/h4,9-12,14,16,18H,1,5-8,13,15H2,2-3H3,(H,23,24)/b12-10+/t16-,18+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)SC3=CC=CC=C3C(=O)O)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C33H40O19S/c1-14(34)43-12-22-25(45-16(3)36)27(46-17(4)37)29(48-19(6)39)32(50-22)52-26-23(13-44-15(2)35)51-33(30(49-20(7)40)28(26)47-18(5)38)53-24-11-9-8-10-21(24)31(41)42/h8-11,22-23,25-30,32-33H,12-13H2,1-7H3,(H,41,42)/t22-,23-,25-,26-,27+,28+,29-,30-,32-,33+/m1/s1
SMILES: CCOC(=O)[C@H]1C[C@@H]1CN(CC2=NN(C(=C2)C)C)C(=O)[C@@H](C3=CC=CC=C3)OC
InChI: InChI=1S/C22H29N3O4/c1-5-29-22(27)19-12-17(19)13-25(14-18-11-15(2)24(3)23-18)21(26)20(28-4)16-9-7-6-8-10-16/h6-11,17,19-20H,5,12-14H2,1-4H3/t17-,19+,20-/m1/s1
SMILES: CC1=CC=CC=C1OC2=CC=C(C=C2)NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-]
InChI: InChI=1S/C21H21NO4/c1-14-6-2-5-9-19(14)26-16-12-10-15(11-13-16)22-20(23)17-7-3-4-8-18(17)21(24)25/h2-6,9-13,17-18H,7-8H2,1H3,(H,22,23)(H,24,25)/p-1/t17-,18-/m0/s1
SMILES: COC1=CC=CC(=C1)N2C(=O)[C@@H]3[C@@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)CO
InChI: InChI=1S/C26H21NO4/c1-31-16-8-6-7-15(13-16)27-24(29)22-21-17-9-2-4-11-19(17)26(14-28,23(22)25(27)30)20-12-5-3-10-18(20)21/h2-13,21-23,28H,14H2,1H3/t21?,22-,23-,26?/m0/s1
SMILES: CC(=O)O[C@@H]1CC[C@]2([C@H]1CC[C@@]3(C2CC[C@H]4[C@]3(CCC5[C@@]4(CCCC5(C)C)C)C)C)C
InChI: InChI=1S/C29H48O2/c1-19(30)31-21-12-16-26(4)20(21)11-17-28(6)23(26)9-10-24-27(5)15-8-14-25(2,3)22(27)13-18-29(24,28)7/h20-24H,8-18H2,1-7H3/t20-,21+,22?,23?,24+,26-,27-,28+,29+/m0/s1
SMILES: CC(=O)OCCC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O
InChI: InChI=1S/C24H36O4/c1-16(25)28-14-4-10-24(27)13-9-21-19-6-5-17-15-18(26)7-11-22(17,2)20(19)8-12-23(21,24)3/h15,19-21,27H,4-14H2,1-3H3/t19-,20+,21+,22+,23+,24+/m1/s1
SMILES: CC[C@@H](CO)[C@@H]1[C@H](C[C@H](C(O1)(C=C=C(C2(CC[C@@](O2)(C)[C@H]3CC[C@@]([C@@H](O3)C)(CC)O[Si](CC)(CC)CC)O)OC)OC)C)C
InChI: InChI=1S/C35H64O8Si/c1-12-28(24-36)31-25(6)23-26(7)35(39-11,41-31)20-18-30(38-10)34(37)22-21-32(9,42-34)29-17-19-33(13-2,27(8)40-29)43-44(14-3,15-4)16-5/h20,25-29,31,36-37H,12-17,19,21-24H2,1-11H3/t18?,25-,26+,27-,28-,29+,31-,32-,33+,34?,35?/m0/s1
SMILES: CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)[C@H]2C[C@H]2C
InChI: InChI=1S/C17H23ClN2O5S/c1-4-20(5-2)26(23,24)12-6-7-14(18)15(9-12)19-16(21)10-25-17(22)13-8-11(13)3/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H,19,21)/t11-,13+/m1/s1
SMILES: C1C[C@H]([C@@H](C1)OC(=O)C2=CC(=C(C(=C2)O)C(=O)C3=C(C=CC=C3OCC(=O)O)O)O)NC(=O)C4=CC=C(C=C4)O
InChI: InChI=1S/C28H25NO11/c30-16-9-7-14(8-10-16)27(37)29-17-3-1-5-21(17)40-28(38)15-11-19(32)24(20(33)12-15)26(36)25-18(31)4-2-6-22(25)39-13-23(34)35/h2,4,6-12,17,21,30-33H,1,3,5,13H2,(H,29,37)(H,34,35)/t17-,21-/m1/s1
SMILES: C[C@@]1([C@@H](N2[C@H](S1)CC2=O)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)CCl
InChI: InChI=1S/C21H20ClNO3S/c1-21(13-22)19(23-16(24)12-17(23)27-21)20(25)26-18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,17-19H,12-13H2,1H3/t17-,19+,21+/m1/s1
SMILES: CC1=C(C=C(C=C1)N2[C@]3([C@H](CC[C@@H]3N=N2)C4=CCCC4)[NH+]5CCOCC5)Cl
InChI: InChI=1S/C21H27ClN4O/c1-15-6-7-17(14-19(15)22)26-21(25-10-12-27-13-11-25)18(16-4-2-3-5-16)8-9-20(21)23-24-26/h4,6-7,14,18,20H,2-3,5,8-13H2,1H3/p+1/t18-,20+,21+/m1/s1
SMILES: CC(=O)O[C@H]1[C@H]([C@@H]2[C@H]([C@H]3[C@@H]1OC(O3)(C)C)NC(=O)C4=C(C5=C(C=C24)OCO5)O)O
InChI: InChI=1S/C19H21NO9/c1-6(21)27-16-12(22)9-7-4-8-14(26-5-25-8)13(23)10(7)18(24)20-11(9)15-17(16)29-19(2,3)28-15/h4,9,11-12,15-17,22-23H,5H2,1-3H3,(H,20,24)/t9-,11+,12-,15-,16-,17-/m0/s1
SMILES: CO[C@@H]1[C@H]([C@@H]([C@H]2[C@H](O1)COC(O2)C3=CC=CC=C3)O)O
InChI: InChI=1S/C14H18O6/c1-17-14-11(16)10(15)12-9(19-14)7-18-13(20-12)8-5-3-2-4-6-8/h2-6,9-16H,7H2,1H3/t9-,10+,11+,12-,13?,14+/m1/s1
SMILES: C[C@@H](C(=O)C1=CNC2=CC=CC=C21)OC(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C21H22N2O5/c1-12(19(25)16-10-22-17-9-5-4-6-13(16)17)28-18(24)11-23-20(26)14-7-2-3-8-15(14)21(23)27/h4-6,9-10,12,14-15,22H,2-3,7-8,11H2,1H3/t12-,14-,15-/m0/s1
SMILES: C[C@H]1CCC[C@@H]2[C@H](O2)C[C@H](OC(=O)C[C@@H](C3(CC3)C(=O)[C@@H]([C@H]1O)C)O)/C(=C/C4=CSC(=N4)C)/C
InChI: InChI=1S/C26H37NO6S/c1-14-6-5-7-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(8-9-26)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,5-9,11-12H2,1-4H3/b15-10+/t14-,16+,19+,20-,21+,22-,24-/m0/s1
SMILES: C1C[C@@H]([C@@H](C1)SC[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)C3=NC4=CC=CC=C4C=C3)O)C(=O)NC5=CC=CC=C5
InChI: InChI=1S/C36H39N5O5S/c37-33(43)21-30(41-35(45)28-19-18-24-12-7-8-16-27(24)39-28)36(46)40-29(20-23-10-3-1-4-11-23)31(42)22-47-32-17-9-15-26(32)34(44)38-25-13-5-2-6-14-25/h1-8,10-14,16,18-19,26,29-32,42H,9,15,17,20-22H2,(H2,37,43)(H,38,44)(H,40,46)(H,41,45)/t26-,29-,30-,31-,32+/m0/s1
SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)[C@@H]3[C@H](C3(C)C)C=C(Cl)Cl
InChI: InChI=1S/C19H23Cl2NO3S/c1-4-25-18(24)14-10-7-5-6-8-12(10)26-17(14)22-16(23)15-11(9-13(20)21)19(15,2)3/h9,11,15H,4-8H2,1-3H3,(H,22,23)/t11-,15+/m1/s1
SMILES: C1CC(C1)NC(=O)[C@@H]2[C@H]([C@H]([C@@H](S2)N3C=NC4=C(N=C(N=C43)Cl)NCC5=CC(=CC=C5)I)O)O
InChI: InChI=1S/C21H22ClIN6O3S/c22-21-27-17(24-8-10-3-1-4-11(23)7-10)13-18(28-21)29(9-25-13)20-15(31)14(30)16(33-20)19(32)26-12-5-2-6-12/h1,3-4,7,9,12,14-16,20,30-31H,2,5-6,8H2,(H,26,32)(H,24,27,28)/t14-,15+,16-,20+/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@H]2CC[C@]4([C@H]3CCC4=O)C)O
InChI: InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14-,15-,16+,18-,19-/m0/s1
SMILES: CC1(C=CC2=CC3=C(C=C2O1)O[C@H]4[C@@]3(COC5=C4C=CC(=C5)O)O)C
InChI: InChI=1S/C20H18O5/c1-19(2)6-5-11-7-14-17(9-15(11)25-19)24-18-13-4-3-12(21)8-16(13)23-10-20(14,18)22/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m1/s1
SMILES: CCOC(=O)[C@H]1[C@@H]2CCO[C@@H]2C3=C(N1)C=CC(=C3)OC
InChI: InChI=1S/C15H19NO4/c1-3-19-15(17)13-10-6-7-20-14(10)11-8-9(18-2)4-5-12(11)16-13/h4-5,8,10,13-14,16H,3,6-7H2,1-2H3/t10-,13+,14-/m0/s1
SMILES: C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2[C@@H]3C=C(C[C@@H](O3)O)C=O)(C)C
InChI: InChI=1S/C20H30O3/c1-13-6-7-16-19(2,3)8-5-9-20(16,4)18(13)15-10-14(12-21)11-17(22)23-15/h10,12,15-18,22H,1,5-9,11H2,2-4H3/t15-,16-,17+,18+,20-/m0/s1
SMILES: CCCCC/C=C/[C@H]1C=CC(=O)[C@@H]1[C@@H](CCCCCC(=O)OC)OS(=O)(=O)C
InChI: InChI=1S/C21H34O6S/c1-4-5-6-7-9-12-17-15-16-18(22)21(17)19(27-28(3,24)25)13-10-8-11-14-20(23)26-2/h9,12,15-17,19,21H,4-8,10-11,13-14H2,1-3H3/b12-9+/t17-,19+,21+/m0/s1