EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCC1=CC=C(C=C1)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)OCC3=CC=CC=C3[N+](=O)[O-]
InChI: InChI=1S/C23H26N2O5/c1-2-16-11-13-18(14-12-16)24-22(26)19-8-4-5-9-20(19)23(27)30-15-17-7-3-6-10-21(17)25(28)29/h3,6-7,10-14,19-20H,2,4-5,8-9,15H2,1H3,(H,24,26)/t19-,20+/m1/s1
SMILES: C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)O)C(=O)N)NC(=O)C(C)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)CO)CO)O
InChI: InChI=1S/C26H46N6O12/c1-12(24(39)32-15(23(28)38)7-8-19(36)31-16(26(41)42)6-4-5-9-27)29-25(40)13(2)43-22-20(30-14(3)35)17(10-33)44-18(11-34)21(22)37/h12-13,15-18,20-22,33-34,37H,4-11,27H2,1-3H3,(H2,28,38)(H,29,40)(H,30,35)(H,31,36)(H,32,39)(H,41,42)/t12-,13?,15+,16-,17?,18+,20-,21+,22+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)N2C(=O)C3=CC=CC=C3N=C2SCC4=NN=C(O4)C
InChI: InChI=1S/C20H24N4O2S/c1-12-7-6-10-17(13(12)2)24-19(25)15-8-4-5-9-16(15)21-20(24)27-11-18-23-22-14(3)26-18/h4-5,8-9,12-13,17H,6-7,10-11H2,1-3H3/t12-,13+,17+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)N2CC[C@H]3[C@@H]2C(=CCC3)Br)C(C)C
InChI: InChI=1S/C19H30BrNO2/c1-12(2)15-8-7-13(3)11-17(15)23-19(22)21-10-9-14-5-4-6-16(20)18(14)21/h6,12-15,17-18H,4-5,7-11H2,1-3H3/t13-,14+,15+,17-,18-/m1/s1
SMILES: C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C3=NC(=NN3)C4=CC=CC=C4)/C)[C@H](C)O
InChI: InChI=1S/C24H33N3O5/c1-13(10-20-25-24(27-26-20)16-7-5-4-6-8-16)9-18-22(30)21(29)17(12-31-18)11-19-23(32-19)14(2)15(3)28/h4-8,10,14-15,17-19,21-23,28-30H,9,11-12H2,1-3H3,(H,25,26,27)/b13-10+/t14-,15-,17-,18-,19-,21+,22-,23-/m0/s1
SMILES: CC(C)(C1C[C@@]23C=C[C@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O.Cl
InChI: InChI=1S/C26H33NO4.ClH/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25;/h6-9,15,18-19,22,28-29H,4-5,10-14H2,1-3H3;1H/t18?,19-,22-,24-,25+,26+;/m1./s1
SMILES: CCO[C@]1([C@@]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)(O)OC2=CC=CC=C2OCC=C)CNC(C)C
InChI: InChI=1S/C21H31NO9/c1-5-11-28-14-9-7-8-10-15(14)30-21(27)18(24)16(23)17(19(25)26)31-20(21,29-6-2)12-22-13(3)4/h5,7-10,13,16-18,22-24,27H,1,6,11-12H2,2-4H3,(H,25,26)/t16-,17+,18+,20-,21+/m1/s1
SMILES: C[C@H]1[C@H](N(C1=[N+](C)C)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC.C(F)(F)(F)S(=O)(=O)[O-]
InChI: InChI=1S/C21H25N2O2.CHF3O3S/c1-15-18(21(24)25-4)23(20(15)22(2)3)19(16-11-7-5-8-12-16)17-13-9-6-10-14-17;2-1(3,4)8(5,6)7/h5-15,18-19H,1-4H3;(H,5,6,7)/q+1;/p-1/t15-,18-;/m0./s1
SMILES: CC1=CC(=C(C=C1)NC(=O)C[NH+]2CC[C@@]3(CCCC[C@@H]3[C@H]2C4=CC=C(C=C4)OC)O)C
InChI: InChI=1S/C26H34N2O3/c1-18-7-12-23(19(2)16-18)27-24(29)17-28-15-14-26(30)13-5-4-6-22(26)25(28)20-8-10-21(31-3)11-9-20/h7-12,16,22,25,30H,4-6,13-15,17H2,1-3H3,(H,27,29)/p+1/t22-,25-,26-/m1/s1
SMILES: CC[C@]1(C(=O)COC2=C1C=C3C4=NC5=CC=CC=C5C=C4CN3C2=O)OC(=O)[C@@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=S)NC6=CC=C(C=C6)O[C@@H]7[C@H]([C@@H]([C@@H]([C@@H](O7)C)O)OC)O
InChI: InChI=1S/C45H54N8O11S/c1-6-45(28-19-31-34-25(18-24-10-7-8-11-29(24)50-34)20-53(31)40(58)37(28)61-21-32(45)54)64-41(59)33(22(2)3)52-39(57)30(12-9-17-48-43(46)47)51-44(65)49-26-13-15-27(16-14-26)63-42-36(56)38(60-5)35(55)23(4)62-42/h7-8,10-11,13-16,18-19,22-23,30,33,35-36,38,42,55-56H,6,9,12,17,20-21H2,1-5H3,(H,52,57)(H4,46,47,48)(H2,49,51,65)/t23-,30-,33+,35+,36-,38+,42+,45-/m0/s1
SMILES: CC[C@]12CCCN3[C@H]1C4=C(CC3)C5=CC=CC=C5N4C(C2)C6=CC7=C(C=C6)N([C@]89[C@]71CCN2[C@H]1[C@](CCC2)(CC8)C[C@H]9C(=O)OC)C
InChI: InChI=1S/C41H50N4O2/c1-4-38-14-7-19-43-21-13-28-27-9-5-6-10-31(27)45(34(28)35(38)43)33(25-38)26-11-12-32-29(23-26)40-18-22-44-20-8-15-39(37(40)44)16-17-41(40,42(32)2)30(24-39)36(46)47-3/h5-6,9-12,23,30,33,35,37H,4,7-8,13-22,24-25H2,1-3H3/t30-,33?,35-,37-,38+,39+,40+,41+/m0/s1
SMILES: CC1=C(C(=C(C(=C1C[N+]2=CN(C=C2)C[C@H]3CC[C@@H]4C[C@H]3C4(C)C)C)C[N+]5=CN(C=C5)C[C@H]6CC[C@@H]7C[C@H]6C7(C)C)C)C[N+]8=CN(C=C8)C[C@H]9CC[C@@H]1C[C@H]9C1(C)C
InChI: InChI=1S/C51H75N6/c1-34-43(28-55-19-16-52(31-55)25-37-10-13-40-22-46(37)49(40,4)5)35(2)45(30-57-21-18-54(33-57)27-39-12-15-42-24-48(39)51(42,8)9)36(3)44(34)29-56-20-17-53(32-56)26-38-11-14-41-23-47(38)50(41,6)7/h16-21,31-33,37-42,46-48H,10-15,22-30H2,1-9H3/q+3/t37-,38-,39-,40-,41-,42-,46-,47-,48-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OCCC2=CC=CC=C2)C(=O)OC)N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
InChI: InChI=1S/C35H50N4O13/c1-20(40)36-27-24(37-31(38-32(44)51-34(4,5)6)39-33(45)52-35(7,8)9)18-25(30(43)46-10)50-29(27)28(26(49-22(3)42)19-48-21(2)41)47-17-16-23-14-12-11-13-15-23/h11-15,18,24,26-29H,16-17,19H2,1-10H3,(H,36,40)(H2,37,38,39,44,45)/t24-,26+,27+,28+,29+/m0/s1
SMILES: COC(=O)[C@@]1(CCC=C[C@H]1N2[C@@H](COC2=S)C3=CC=CC=C3)P(=O)(OC)OC
InChI: InChI=1S/C19H24NO6PS/c1-23-17(21)19(27(22,24-2)25-3)12-8-7-11-16(19)20-15(13-26-18(20)28)14-9-5-4-6-10-14/h4-7,9-11,15-16H,8,12-13H2,1-3H3/t15-,16+,19-/m0/s1
SMILES: CCCCC#CC1=CC2=CN(C(=O)N=C2O1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C17H20N2O6/c1-2-3-4-5-6-11-7-10-8-19(17(23)18-15(10)24-11)16-14(22)13(21)12(9-20)25-16/h7-8,12-14,16,20-22H,2-4,9H2,1H3/t12-,13-,14-,16-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)N2C3=CC(=CC(=C3)F)F)CCCC4=CC=CC=C4
InChI: InChI=1S/C25H23F2NO2/c1-30-22-12-10-18(11-13-22)24-23(9-5-8-17-6-3-2-4-7-17)25(29)28(24)21-15-19(26)14-20(27)16-21/h2-4,6-7,10-16,23-24H,5,8-9H2,1H3/t23-,24-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]3[C@H](O2)COC(O3)(C)C)O)O)O
InChI: InChI=1S/C17H29NO11/c1-6(20)18-9-10(21)13(7(4-19)26-15(9)24)28-16-12(23)11(22)14-8(27-16)5-25-17(2,3)29-14/h7-16,19,21-24H,4-5H2,1-3H3,(H,18,20)/t7-,8-,9-,10-,11-,12-,13-,14+,15?,16+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C19H27ClN2O3S/c1-14-5-2-3-7-18(14)21-19(23)15-6-4-12-22(13-15)26(24,25)17-10-8-16(20)9-11-17/h8-11,14-15,18H,2-7,12-13H2,1H3,(H,21,23)/t14-,15-,18-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)NNC(=O)C3=CC=CC=C3N4C=CC=C4
InChI: InChI=1S/C22H24N4O4/c27-19(11-14-26-21(29)15-7-1-2-8-16(15)22(26)30)23-24-20(28)17-9-3-4-10-18(17)25-12-5-6-13-25/h3-6,9-10,12-13,15-16H,1-2,7-8,11,14H2,(H,23,27)(H,24,28)/t15-,16+
SMILES: CCOC(=O)[C@@H]1[C@@H](C(=NN1)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)C
InChI: InChI=1S/C20H20N2O3/c1-3-25-20(24)18-16(14-11-9-13(2)10-12-14)17(21-22-18)19(23)15-7-5-4-6-8-15/h4-12,16,18,22H,3H2,1-2H3/t16-,18+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1N[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C18H24N2O2/c1-12-7-9-14(10-8-12)20-17(21)11-16(18(20)22)19-15-6-4-3-5-13(15)2/h7-10,13,15-16,19H,3-6,11H2,1-2H3/t13-,15-,16+/m1/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CC(C)(C)C(=O)O)C)C(=O)NCCCCCCCNC(=O)C
InChI: InChI=1S/C45H74N2O6/c1-29(2)31-18-23-45(38(50)47-27-15-13-11-12-14-26-46-30(3)48)25-24-43(9)32(37(31)45)16-17-34-42(8)21-20-35(53-36(49)28-40(4,5)39(51)52)41(6,7)33(42)19-22-44(34,43)10/h31-35,37H,1,11-28H2,2-10H3,(H,46,48)(H,47,50)(H,51,52)/t31-,32+,33-,34+,35-,37+,42-,43+,44+,45-/m0/s1
SMILES: C[C@@]12[C@@H]3[C@H]4C[C@H]5[C@H]3[C@@](O1)(O[C@H]5O[C@H]4O2)SC
InChI: InChI=1S/C11H14O4S/c1-10-6-4-3-5-7(6)11(15-10,16-2)14-9(5)12-8(4)13-10/h4-9H,3H2,1-2H3/t4-,5+,6-,7-,8+,9-,10+,11+/m1/s1
SMILES: COC(=O)[C@@H]1[C@H]2[C@@H]1C(=O)N3[C@@H]2CO[C@@H]3C4=CC=CC=C4
InChI: InChI=1S/C15H15NO4/c1-19-15(18)12-10-9-7-20-14(8-5-3-2-4-6-8)16(9)13(17)11(10)12/h2-6,9-12,14H,7H2,1H3/t9-,10-,11+,12-,14-/m1/s1
SMILES: COC1=CC=C(C=C1)C2=C(N=CC(=C2)[C@H]3C[C@@H]4CC[C@H]3N4)F
InChI: InChI=1S/C18H19FN2O/c1-22-14-5-2-11(3-6-14)16-8-12(10-20-18(16)19)15-9-13-4-7-17(15)21-13/h2-3,5-6,8,10,13,15,17,21H,4,7,9H2,1H3/t13-,15+,17+/m0/s1
SMILES: C[C@H](C(=O)NC1=C(C=CS1)C#N)OC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C19H19N3O5S/c1-11(16(24)21-17-12(10-20)7-9-28-17)27-15(23)6-8-22-18(25)13-4-2-3-5-14(13)19(22)26/h2-3,7,9,11,13-14H,4-6,8H2,1H3,(H,21,24)/t11-,13+,14+/m1/s1
SMILES: C1C[C@@H]([C@H](C=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)O
InChI: InChI=1S/C20H23NO/c22-20-14-8-7-13-19(20)21(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-7,9-13,19-20,22H,8,14-16H2/t19-,20-/m0/s1
SMILES: C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC(=O)[C@@H]6[C@@]5(CC[C@@H](C6)OCC7=CC=CC=C7)C)C)C)OC1
InChI: InChI=1S/C34H48O4/c1-21-10-15-34(37-19-21)22(2)31-30(38-34)18-27-25-17-29(35)28-16-24(36-20-23-8-6-5-7-9-23)11-13-32(28,3)26(25)12-14-33(27,31)4/h5-9,21-22,24-28,30-31H,10-20H2,1-4H3/t21-,22+,24+,25-,26+,27+,28-,30+,31+,32-,33+,34-/m1/s1
SMILES: CCC(C)C(=O)OC[C@@]12[C@H]([C@H](C[C@]([C@@]13[C@@H]([C@@H]([C@@H]([C@H]2OC(=O)C4=CC=CC=C4)OC(=O)C(C)CC)C(O3)(C)C)OC(=O)C5=CC=CC=C5)(C)O)O)OC(=O)C
InChI: InChI=1S/C41H52O13/c1-9-23(3)34(44)49-22-40-31(50-25(5)42)28(43)21-39(8,48)41(40)32(52-36(46)26-17-13-11-14-18-26)29(38(6,7)54-41)30(51-35(45)24(4)10-2)33(40)53-37(47)27-19-15-12-16-20-27/h11-20,23-24,28-33,43,48H,9-10,21-22H2,1-8H3/t23?,24?,28-,29+,30-,31-,32+,33+,39-,40-,41-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3
InChI: InChI=1S/C20H26N2O7/c1-11-5-4-6-15(12(11)2)21-19(23)13(3)29-20(24)14-9-17-18(28-8-7-27-17)10-16(14)22(25)26/h9-13,15H,4-8H2,1-3H3,(H,21,23)/t11-,12-,13-,15+/m1/s1
SMILES: COC1=C(C=CC(=C1)SC)C(=O)N[C@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N)O
InChI: InChI=1S/C25H31N3O8S/c1-36-20-10-15(37-2)7-8-16(20)23(33)27-18-11-25(35,12-19(30)21(18)31)24(34)28-17(22(26)32)9-13-3-5-14(29)6-4-13/h3-8,10,17-19,21,29-31,35H,9,11-12H2,1-2H3,(H2,26,32)(H,27,33)(H,28,34)/t17-,18-,19+,21+,25-/m0/s1
SMILES: CCCN=C(CC1=CC2=C(C=C1)NC3=C2C[C@]4([C@H]5CC6=C7[C@]4([C@H]3OC7=C(C=C6)O)CCN5CC8CC8)O)N
InChI: InChI=1S/C31H36N4O3/c1-2-10-33-25(32)13-18-5-7-22-20(12-18)21-15-31(37)24-14-19-6-8-23(36)28-26(19)30(31,29(38-28)27(21)34-22)9-11-35(24)16-17-3-4-17/h5-8,12,17,24,29,34,36-37H,2-4,9-11,13-16H2,1H3,(H2,32,33)/t24-,29+,30+,31-/m1/s1
SMILES: CC(=O)OC1=CC=CC(=C1)N2C(=O)[C@H]3[C@H](C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI: InChI=1S/C26H19NO4/c1-14(28)31-16-8-6-7-15(13-16)27-25(29)23-21-17-9-2-3-10-18(17)22(24(23)26(27)30)20-12-5-4-11-19(20)21/h2-13,21-24H,1H3/t21?,22?,23-,24-/m1/s1
SMILES: C[C@H]1[C@@H]2[C@H]([C@H](CC[C@]2(CC3=C1N=C(S3)CS(=O)(=O)CC4=CC=C(C=C4)F)C)[C@H](C)C(=O)NCCN5CCOCC5)O
InChI: InChI=1S/C30H42FN3O5S2/c1-19(29(36)32-10-11-34-12-14-39-15-13-34)23-8-9-30(3)16-24-27(20(2)26(30)28(23)35)33-25(40-24)18-41(37,38)17-21-4-6-22(31)7-5-21/h4-7,19-20,23,26,28,35H,8-18H2,1-3H3,(H,32,36)/t19-,20-,23+,26+,28-,30-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]3[C@@]([C@H](C[C@@]3(C(=CO2)C(=O)OC)O)OC(=O)C)(C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C29H38O18/c1-12(30)39-11-19-21(42-14(3)32)22(43-15(4)33)23(44-16(5)34)26(45-19)46-27-24-28(7,47-17(6)35)20(41-13(2)31)9-29(24,37)18(10-40-27)25(36)38-8/h10,19-24,26-27,37H,9,11H2,1-8H3/t19-,20+,21-,22+,23-,24-,26+,27+,28+,29+/m1/s1
SMILES: C[C@@H](CCC(=O)OC)[C@H]1CC[C@H]2[C@@]1(C(=O)C[C@@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)OC(=O)C)C
InChI: InChI=1S/C29H44O7/c1-16(7-10-26(33)34-6)21-8-9-22-27-23(15-25(32)29(21,22)5)28(4)12-11-20(35-17(2)30)13-19(28)14-24(27)36-18(3)31/h16,19-24,27H,7-15H2,1-6H3/t16-,19-,20+,21+,22+,23+,24+,27-,28-,29+/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C=CC5=CC(=C(C(=C5)OC)O)OC)C(=O)N(C4=O)C6CCCCC6)C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C37H40N2O7/c1-37-27(17-14-21-18-29(45-2)32(40)30(19-21)46-3)24-15-16-25-31(35(43)38(33(25)41)22-10-6-4-7-11-22)26(24)20-28(37)34(42)39(36(37)44)23-12-8-5-9-13-23/h5,8-9,12-15,17-19,22,25-28,31,40H,4,6-7,10-11,16,20H2,1-3H3/t25-,26+,27-,28-,31-,37-/m0/s1
SMILES: C1=CC=C(C=C1)N2[C@H]([C@@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC=CC=C4)C5=CN=CC=C5
InChI: InChI=1S/C22H17N3O3/c26-21-18-19(15-8-7-13-23-14-15)25(17-11-5-2-6-12-17)28-20(18)22(27)24(21)16-9-3-1-4-10-16/h1-14,18-20H/t18-,19+,20-/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)[C@H](N4[C@@H]3C5=CC=CC=C5C=C4)C(=O)NC6=C(C=CC(=C6)Cl)OC
InChI: InChI=1S/C29H24ClN3O4/c1-16-7-10-19(11-8-16)33-28(35)23-24(29(33)36)26(27(34)31-21-15-18(30)9-12-22(21)37-2)32-14-13-17-5-3-4-6-20(17)25(23)32/h3-15,23-26H,1-2H3,(H,31,34)/t23-,24+,25+,26-/m0/s1
SMILES: C[C@]12CCC(=O)OC1=CC[C@@H]3[C@H]2C(=O)C[C@]4([C@@H]3CC[C@@]45[C@@]6(COCO6)OCO5)C
InChI: InChI=1S/C22H28O7/c1-19-7-6-17(24)29-16(19)4-3-13-14-5-8-21(20(14,2)9-15(23)18(13)19)22(28-12-26-21)10-25-11-27-22/h4,13-14,18H,3,5-12H2,1-2H3/t13-,14+,18-,19-,20-,21-,22+/m0/s1
SMILES: CC(=O)[C@@H]1C[C@H]2[C@H]3[C@H]4[C@@H]1[C@@H]2[C@H]([C@@H]34)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C18H18O3/c1-8(19)10-7-11-13-15-12(10)14(11)17(16(13)15)21-18(20)9-5-3-2-4-6-9/h2-6,10-17H,7H2,1H3/t10-,11-,12-,13-,14+,15+,16-,17+/m0/s1
SMILES: CC(C)O[C@@H]1[C@H](O[C@@H]2[C@@H]1OC3(O2)CCCCC3)[C@@H]4COC5(O4)CCCCC5
InChI: InChI=1S/C21H34O6/c1-14(2)23-17-16(15-13-22-20(25-15)9-5-3-6-10-20)24-19-18(17)26-21(27-19)11-7-4-8-12-21/h14-19H,3-13H2,1-2H3/t15-,16+,17+,18+,19-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC(=C(C(=C3)OC)OC)OC)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)O
InChI: InChI=1S/C34H44O21/c1-15(35)46-12-24-26(41)29(50-18(4)38)30(51-19(5)39)33(53-24)55-34(14-48-16(2)36)31(52-20(6)40)28(49-17(3)37)25(54-34)13-47-32(42)21-10-22(43-7)27(45-9)23(11-21)44-8/h10-11,24-26,28-31,33,41H,12-14H2,1-9H3/t24-,25-,26-,28-,29+,30-,31+,33-,34+/m1/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=CC(=C(C(=C7Br)Br)O)OC)C(=O)N(C5=O)C8=CC=C(C=C8)NC9=CC=CC=C9
InChI: InChI=1S/C46H38Br2N4O6/c1-25-13-15-29(16-14-25)50-52-43(55)35-23-33-31(38(34-24-36(58-2)41(53)40(48)39(34)47)46(35,45(52)57)26-9-5-3-6-10-26)21-22-32-37(33)44(56)51(42(32)54)30-19-17-28(18-20-30)49-27-11-7-4-8-12-27/h3-21,24,32-33,35,37-38,49-50,53H,22-23H2,1-2H3/t32-,33+,35-,37-,38+,46+/m0/s1
SMILES: C1C[C@@H]([C@@H](C1)NC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=C3C5CC5)C(=O)NO
InChI: InChI=1S/C24H26N4O3/c29-23(26-19-6-3-4-18(19)24(30)27-31)17-10-8-15(9-11-17)14-28-21-7-2-1-5-20(21)25-22(28)16-12-13-16/h1-2,5,7-11,16,18-19,31H,3-4,6,12-14H2,(H,26,29)(H,27,30)/t18-,19+/m0/s1
SMILES: C1C[C@H]2[C@@H](NC3=C([C@H]2OC1)C=C(C=C3)SC#N)C4=CC=CC=C4
InChI: InChI=1S/C19H18N2OS/c20-12-23-14-8-9-17-16(11-14)19-15(7-4-10-22-19)18(21-17)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,15,18-19,21H,4,7,10H2/t15-,18-,19-/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)[NH+]2CC[NH+](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)/p+2/t16-,17-,18-,20-/m1/s1
SMILES: C[C@H]1CC2=C([C@H](NC3=CC=CC=C3N2)C4=CC(=C(C=C4)O)OC)C(=O)[C@H]1C(=O)OC
InChI: InChI=1S/C23H24N2O5/c1-12-10-16-20(22(27)19(12)23(28)30-3)21(13-8-9-17(26)18(11-13)29-2)25-15-7-5-4-6-14(15)24-16/h4-9,11-12,19,21,24-26H,10H2,1-3H3/t12-,19-,21+/m0/s1
SMILES: C1CC(C[C@@H]2[C@H]1C3=C([C@H]4[C@@H]2C(=O)N(C4=O)C5=CC=CC=C5)NC6=CC=CC=C63)C7=CC=CC=C7
InChI: InChI=1S/C30H26N2O2/c33-29-26-23-17-19(18-9-3-1-4-10-18)15-16-21(23)25-22-13-7-8-14-24(22)31-28(25)27(26)30(34)32(29)20-11-5-2-6-12-20/h1-14,19,21,23,26-27,31H,15-17H2/t19?,21-,23+,26+,27+/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)OC(=O)C)C)[C@H]5C[C@]5(C)[C@H](C)C(C)C
InChI: InChI=1S/C32H52O4/c1-17(2)19(4)31(7)16-26(31)18(3)23-9-10-24-29-25(15-28(32(23,24)8)36-20(5)33)30(6)12-11-22(34)13-21(30)14-27(29)35/h14,17-19,22-29,34-35H,9-13,15-16H2,1-8H3/t18-,19+,22-,23+,24-,25-,26+,27+,28+,29-,30-,31+,32+/m0/s1
SMILES: COC1=CC=C(C=C1)C(=O)[C@@H]2[C@H]3[C@@H]([C@@H]4[NH+]2C=CC5=CC=CC=C45)C(=O)NC3=O
InChI: InChI=1S/C22H18N2O4/c1-28-14-8-6-13(7-9-14)20(25)19-17-16(21(26)23-22(17)27)18-15-5-3-2-4-12(15)10-11-24(18)19/h2-11,16-19H,1H3,(H,23,26,27)/p+1/t16-,17+,18+,19-/m0/s1
SMILES: CC1=CC=CC=C1NC(=O)[C@@H](C)NC(=O)[C@@H]2[C@H]3[C@@H]([C@@H]4[C@H](O2)OC(O4)(C)C)OC(O3)(C)C
InChI: InChI=1S/C22H30N2O7/c1-11-9-7-8-10-13(11)24-18(25)12(2)23-19(26)16-14-15(29-21(3,4)28-14)17-20(27-16)31-22(5,6)30-17/h7-10,12,14-17,20H,1-6H3,(H,23,26)(H,24,25)/t12-,14-,15+,16+,17-,20-/m1/s1
SMILES: CC(C)(C)OC(=O)/C=C\1/[C@@H]2C=C[C@]3([C@H]1[C@@H]([C@H]2CO)N(C)C(=O)OCC=C)C4=CC=CC=C4N(C3=O)COC
InChI: InChI=1S/C29H36N2O7/c1-7-14-37-27(35)30(5)25-20(16-32)18-12-13-29(24(25)19(18)15-23(33)38-28(2,3)4)21-10-8-9-11-22(21)31(17-36-6)26(29)34/h7-13,15,18,20,24-25,32H,1,14,16-17H2,2-6H3/b19-15-/t18-,20-,24+,25+,29+/m0/s1
SMILES: CC1=N[C@H]2C=CC=C[C@@H]2C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChI: InChI=1S/C9H11N.3CO.Fe/c1-7-6-8-4-2-3-5-9(8)10-7;3*1-2;/h2-5,8-9H,6H2,1H3;;;;/t8-,9+;;;;/m1..../s1
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)N2[C@]([C@H]3CCCC=C3N2)(C(F)(F)F)O
InChI: InChI=1S/C19H23F3N2O2/c1-17(2,3)13-10-8-12(9-11-13)16(25)24-18(26,19(20,21)22)14-6-4-5-7-15(14)23-24/h7-11,14,23,26H,4-6H2,1-3H3/t14-,18-/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=C(C=C(C=C6OC)OC)O)C7=CC=CC=C7)C8=CC(=CC=C8)Cl
InChI: InChI=1S/C42H35ClN2O8/c1-22(46)23-12-14-26(15-13-23)44-38(48)30-17-16-29-31(35(30)40(44)50)21-32-39(49)45(27-11-7-10-25(43)18-27)41(51)42(32,24-8-5-4-6-9-24)37(29)36-33(47)19-28(52-2)20-34(36)53-3/h4-16,18-20,30-32,35,37,47H,17,21H2,1-3H3/t30-,31+,32-,35-,37+,42+/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@@]4([C@@]3(CC[C@@H](C4)OC(=O)C)C)O)C
InChI: InChI=1S/C29H50O3/c1-19(2)8-7-9-20(3)24-10-11-25-23-13-17-29(31)18-22(32-21(4)30)12-16-28(29,6)26(23)14-15-27(24,25)5/h19-20,22-26,31H,7-18H2,1-6H3/t20-,22+,23-,24-,25+,26-,27-,28-,29-/m1/s1
SMILES: C[C@H]1C[C@@]2(C[C@@H]([NH+](C[C@@H]2C)C)C)NC3=CC=CC=C13
InChI: InChI=1S/C17H26N2/c1-12-9-17(10-14(3)19(4)11-13(17)2)18-16-8-6-5-7-15(12)16/h5-8,12-14,18H,9-11H2,1-4H3/p+1/t12-,13-,14-,17-/m0/s1
SMILES: CCCOC1=CC=CC=C1N2C(=O)[C@@H]3[C@@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)C
InChI: InChI=1S/C28H25NO3/c1-3-16-32-22-15-9-8-14-21(22)29-26(30)24-23-17-10-4-6-12-19(17)28(2,25(24)27(29)31)20-13-7-5-11-18(20)23/h4-15,23-25H,3,16H2,1-2H3/t23?,24-,25-,28?/m0/s1
SMILES: CO[Si](N1CC[C@@H]2CCCC[C@H]2C1)(N3CC[C@@H]4CCCC[C@H]4C3)OC
InChI: InChI=1S/C20H38N2O2Si/c1-23-25(24-2,21-13-11-17-7-3-5-9-19(17)15-21)22-14-12-18-8-4-6-10-20(18)16-22/h17-20H,3-16H2,1-2H3/t17-,18-,19-,20-/m0/s1
SMILES: CC(C)NC(=O)C1=C(C=C([C@H]2[C@@H]1[C@]2(C)C3=CC=CC=C3)OC)OC
InChI: InChI=1S/C20H25NO3/c1-12(2)21-19(22)16-14(23-4)11-15(24-5)17-18(16)20(17,3)13-9-7-6-8-10-13/h6-12,17-18H,1-5H3,(H,21,22)/t17-,18+,20+/m0/s1
SMILES: CCOC(=O)[C@@H]1C2=C3C(=C(C(=C2[C@@H]4[C@H](N1)COC(O4)(C)C)OCC=C)C)OCO3
InChI: InChI=1S/C21H27NO7/c1-6-8-25-16-11(3)17-19(27-10-26-17)13-14(16)18-12(9-28-21(4,5)29-18)22-15(13)20(23)24-7-2/h6,12,15,18,22H,1,7-10H2,2-5H3/t12-,15+,18+/m1/s1
SMILES: CC[C@H]1C2(CCCC2)[C@]([C@H](CO1)CC3=CC=CC=C3)(CCCO)O
InChI: InChI=1S/C21H32O3/c1-2-19-20(11-6-7-12-20)21(23,13-8-14-22)18(16-24-19)15-17-9-4-3-5-10-17/h3-5,9-10,18-19,22-23H,2,6-8,11-16H2,1H3/t18-,19-,21+/m0/s1
SMILES: CC1(O[C@H]2[C@@H]3[C@@H](CC[C@H]3OCC4=CC=CC=C4)O[C@@H]([C@H]2O1)O)C
InChI: InChI=1S/C18H24O5/c1-18(2)22-15-14-12(20-10-11-6-4-3-5-7-11)8-9-13(14)21-17(19)16(15)23-18/h3-7,12-17,19H,8-10H2,1-2H3/t12-,13-,14+,15+,16+,17+/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@@H](OC(O1)(C)C)C(=O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C17H32O6Si/c1-10-20-15(19)14-13(21-17(6,7)22-14)12(18)11(2)23-24(8,9)16(3,4)5/h11,13-14H,10H2,1-9H3/t11-,13-,14-/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C(N=CN=C43)NC(=O)C5=CC=CC=C5)/C=C/C=O)C
InChI: InChI=1S/C22H21N5O5/c1-22(2)31-16-14(9-6-10-28)30-21(17(16)32-22)27-12-25-15-18(23-11-24-19(15)27)26-20(29)13-7-4-3-5-8-13/h3-12,14,16-17,21H,1-2H3,(H,23,24,26,29)/b9-6+/t14-,16-,17-,21-/m1/s1
SMILES: CC1=CC(=C2[C@@H]3C=CC[C@H]3[C@H](NC2=C1)C4=CC=C(C=C4)[N+](=O)[O-])C
InChI: InChI=1S/C20H20N2O2/c1-12-10-13(2)19-16-4-3-5-17(16)20(21-18(19)11-12)14-6-8-15(9-7-14)22(23)24/h3-4,6-11,16-17,20-21H,5H2,1-2H3/t16-,17-,20-/m1/s1
SMILES: CC1(O[C@H]2[C@@H](O1)[C@H](O[C@H]3[C@@H]2OC(O3)(C)C)C(=O)/C=C/C4=CC=C(C=C4)OC)C
InChI: InChI=1S/C21H26O7/c1-20(2)25-16-15(14(22)11-8-12-6-9-13(23-5)10-7-12)24-19-18(17(16)26-20)27-21(3,4)28-19/h6-11,15-19H,1-5H3/b11-8+/t15-,16+,17+,18-,19-/m1/s1
SMILES: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@H]1CCCC2=O
InChI: InChI=1S/C18H30O/c1-12(2)13(3)8-9-14(4)15-10-11-17-16(15)6-5-7-18(17)19/h8-9,12-17H,5-7,10-11H2,1-4H3/b9-8+/t13-,14+,15+,16+,17+/m0/s1
SMILES: CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C2=CC=C(C=C2)Br)OC(=O)C3=CC=C(C=C3)Br)O)O
InChI: InChI=1S/C21H20Br2O8/c1-28-21-17(25)16(24)18(31-20(27)12-4-8-14(23)9-5-12)15(30-21)10-29-19(26)11-2-6-13(22)7-3-11/h2-9,15-18,21,24-25H,10H2,1H3/t15-,16-,17-,18-,21-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]2[C@H](COC(O2)(C)C)O[C@@H]1OCC3=CC=CC=C3)O
InChI: InChI=1S/C18H25NO6/c1-11(20)19-14-15(21)16-13(10-23-18(2,3)25-16)24-17(14)22-9-12-7-5-4-6-8-12/h4-8,13-17,21H,9-10H2,1-3H3,(H,19,20)/t13-,14+,15+,16+,17-/m0/s1
SMILES: C1=CC(=CC=C1[C@@H]2[C@H](C3=C(O2)C=CC(=C3)/C=C/C4=CC(=CC(=C4)O)O)C5=CC(=CC(=C5)O)O)O
InChI: InChI=1S/C28H22O6/c29-20-6-4-18(5-7-20)28-27(19-12-23(32)15-24(33)13-19)25-11-16(3-8-26(25)34-28)1-2-17-9-21(30)14-22(31)10-17/h1-15,27-33H/b2-1+/t27-,28+/m0/s1
SMILES: C/C/1=C/[C@H]2[C@]3([C@@H]([C@@H]4[C@](C=C[C@H]([C@@]4(C)O)O)([C@H]([C@@H](C1)OC(=O)C)O)C)OC(=O)C)[C@@](O3)(C(=O)O2)C
InChI: InChI=1S/C24H32O10/c1-11-9-14(31-12(2)25)18(28)21(4)8-7-15(27)22(5,30)17(21)19(32-13(3)26)24-16(10-11)33-20(29)23(24,6)34-24/h7-8,10,14-19,27-28,30H,9H2,1-6H3/b11-10-/t14-,15-,16+,17-,18+,19-,21+,22-,23+,24+/m1/s1
SMILES: C1CC[C@@H]([C@H](C1)NC(=O)NC2=CC=CC=C2)NC(=O)NC3=CC=CC=C3
InChI: InChI=1S/C20H24N4O2/c25-19(21-15-9-3-1-4-10-15)23-17-13-7-8-14-18(17)24-20(26)22-16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2,(H2,21,23,25)(H2,22,24,26)/t17-,18-/m0/s1
SMILES: CC(=O)O[C@@H]1CC[C@@H]2[C@]1(CC[C@@H]3[C@H]2CC[C@@H]4[C@@]3([C@@H]([C@@H]5C[C@@H]5C4)O)C)C
InChI: InChI=1S/C22H34O3/c1-12(23)25-19-7-6-17-15-5-4-14-10-13-11-16(13)20(24)22(14,3)18(15)8-9-21(17,19)2/h13-20,24H,4-11H2,1-3H3/t13-,14-,15-,16+,17-,18+,19+,20+,21+,22-/m0/s1
SMILES: CCC[C@@H](C12CC3CC(C1)CC(C3)C2)NC(=O)[C@H]4CCCC[C@H]4C(=O)O
InChI: InChI=1S/C22H35NO3/c1-2-5-19(22-11-14-8-15(12-22)10-16(9-14)13-22)23-20(24)17-6-3-4-7-18(17)21(25)26/h14-19H,2-13H2,1H3,(H,23,24)(H,25,26)/t14?,15?,16?,17-,18+,19-,22?/m0/s1
SMILES: CC1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)OC)O)F
InChI: InChI=1S/C22H28FN4O8P/c1-12-10-27(22(30)25-20(12)28)19-8-15(23)18(35-19)11-34-36(31,32)26-17(21(29)33-2)7-13-9-24-16-6-4-3-5-14(13)16/h3-6,9,12,15,17-19,24H,7-8,10-11H2,1-2H3,(H,25,28,30)(H2,26,31,32)/t12?,15-,17-,18+,19+/m0/s1
SMILES: C1[C@H]2[C@H]([C@@H]([C@@H]1SC3=CC=CC=C3[N+](=O)[O-])Cl)C4=C(C(=CC(=C4)Cl)C(=O)C5=CC=CC=C5)N[C@@H]2C6=CC=CC=C6F
InChI: InChI=1S/C31H23Cl2FN2O3S/c32-18-14-20-27-21(16-26(28(27)33)40-25-13-7-6-12-24(25)36(38)39)29(19-10-4-5-11-23(19)34)35-30(20)22(15-18)31(37)17-8-2-1-3-9-17/h1-15,21,26-29,35H,16H2/t21-,26+,27+,28+,29+/m0/s1
SMILES: CC1=CC(=CC2=C1NC(=O)[C@]23[C@H]4[C@@H]([C@@H](N3)CC(=O)N)C(=O)N(C4=O)CC5=CC=C(C=C5)OC)Cl
InChI: InChI=1S/C24H23ClN4O5/c1-11-7-13(25)8-15-20(11)27-23(33)24(15)19-18(16(28-24)9-17(26)30)21(31)29(22(19)32)10-12-3-5-14(34-2)6-4-12/h3-8,16,18-19,28H,9-10H2,1-2H3,(H2,26,30)(H,27,33)/t16-,18+,19-,24+/m0/s1
SMILES: CC(=O)O[C@@H]1CO[C@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC2=CC3=C(C=C2)[C@H]4CC[C@@]5([C@H](CC[C@H]5[C@@H]4CC3)C=C)C
InChI: InChI=1S/C31H40O8/c1-6-21-8-12-26-25-10-7-20-15-22(9-11-23(20)24(25)13-14-31(21,26)5)39-30-29(38-19(4)34)28(37-18(3)33)27(16-35-30)36-17(2)32/h6,9,11,15,21,24-30H,1,7-8,10,12-14,16H2,2-5H3/t21-,24+,25+,26-,27+,28+,29-,30-,31+/m0/s1
SMILES: CC(C)C[C@H]1C[C@H](N[C@H]([C@@H]1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)P(=O)(O)O)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)O
InChI: InChI=1S/C35H39N4O8P/c1-19(2)15-21-16-28(31(40)37-29(35(43)44)17-22-18-36-27-12-4-3-9-23(22)27)38-32(48(45,46)47)24(21)13-14-39-33(41)25-10-5-7-20-8-6-11-26(30(20)25)34(39)42/h3-12,18-19,21,24,28-29,32,36,38H,13-17H2,1-2H3,(H,37,40)(H,43,44)(H2,45,46,47)/t21-,24+,28-,29-,32-/m0/s1
SMILES: CN1[C@H]2CC(C[C@H]1[C@H]3[C@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4
InChI: InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t12-,13+,14+,15+,16+/m1/s1
SMILES: C[C@@]1([C@@H]2CC[C@@H]([C@]23C[C@H]1C(=C[C@@H]3O)C(=O)O)C(=O)O)CO
InChI: InChI=1S/C15H20O6/c1-14(6-16)9-5-15(11(17)4-7(9)12(18)19)8(13(20)21)2-3-10(14)15/h4,8-11,16-17H,2-3,5-6H2,1H3,(H,18,19)(H,20,21)/t8-,9+,10+,11+,14-,15-/m1/s1