EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC[C@H]1[C@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H](C2C5O)[N+]3([C@@H]1O)CC(CN(CC)CC)O)C6=CC=CC=C6N4C
InChI: InChI=1S/C27H42N3O3/c1-5-17-18-12-21-24-27(19-10-8-9-11-20(19)28(24)4)13-22(23(18)25(27)32)30(21,26(17)33)15-16(31)14-29(6-2)7-3/h8-11,16-18,21-26,31-33H,5-7,12-15H2,1-4H3/q+1/t16?,17-,18+,21-,22-,23?,24-,25?,26+,27+,30?/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)OCC(=O)NNC(=O)C3=CC=CC=C3
InChI: InChI=1S/C19H21N3O6/c23-15(20-21-17(25)12-6-2-1-3-7-12)11-28-16(24)10-22-18(26)13-8-4-5-9-14(13)19(22)27/h1-3,6-7,13-14H,4-5,8-11H2,(H,20,23)(H,21,25)/t13-,14+
SMILES: CC(=O)OC[C@]1([C@@H](CC[C@@]2(C1C[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=O)C4)O)C)O)C
InChI: InChI=1S/C21H32O5/c1-12(22)26-11-20(3)16-8-18(25)21-9-13(14(23)10-21)4-5-15(21)19(16,2)7-6-17(20)24/h13,15-18,24-25H,4-11H2,1-3H3/t13-,15+,16?,17-,18+,19+,20-,21-/m1/s1
SMILES: C1[C@@H]2COP(=O)(OP(=O)(OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN([C@H]1[C@@H]([C@@H]2O)O)C5=O)O)O)O)O
InChI: InChI=1S/C16H22N4O13P2/c21-10-6-1-7(11(10)22)19-5-18-14-9(15(19)25)17-4-20(14)16-13(24)12(23)8(32-16)3-31-35(28,29)33-34(26,27)30-2-6/h4-8,10-13,16,21-24H,1-3H2,(H,26,27)(H,28,29)/t6-,7-,8-,10-,11+,12-,13-,16-/m1/s1
SMILES: CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)N=[N+]=[N-])O
InChI: InChI=1S/C8H14N4O5/c1-3(14)10-6-7(15)5(11-12-9)4(2-13)17-8(6)16/h4-8,13,15-16H,2H2,1H3,(H,10,14)/t4-,5-,6+,7+,8+/m1/s1
SMILES: C[C@H]1CN(CCN1)C(=N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)NC4=CC5=C(C=C4)C(=O)N(C5)CCC6=C(C=C(C=C6)C)F
InChI: InChI=1S/C33H44FN5O/c1-20-6-7-23(29(34)14-20)10-12-38-19-24-15-26(8-9-27(24)31(38)40)36-32(39-13-11-35-21(2)18-39)37-30-17-25-16-28(22(30)3)33(25,4)5/h6-9,14-15,21-22,25,28,30,35H,10-13,16-19H2,1-5H3,(H,36,37)/t21-,22-,25+,28-,30-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)CCC(=O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)CCC7=C3C=CC(=C7)O
InChI: InChI=1S/C31H39N5O7/c1-31-9-8-19-18-6-4-17(37)10-15(18)2-5-20(19)21(31)11-16(27(31)41)3-7-23(38)42-12-22-25(39)26(40)30(43-22)36-14-35-24-28(32)33-13-34-29(24)36/h4,6,10,13-14,16,19-22,25-27,30,37,39-41H,2-3,5,7-9,11-12H2,1H3,(H2,32,33,34)/t16-,19-,20-,21+,22-,25-,26-,27+,30-,31+/m1/s1
SMILES: C=CCN1[C@@H]([C@H]([C@H]([C@H](C1=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)CN5C(=NC(=O)N5)C6=CC=C(C=C6)Cl
InChI: InChI=1S/C38H37ClN4O5/c1-2-22-42-32(23-43-36(40-38(45)41-43)30-18-20-31(39)21-19-30)33(46-24-27-12-6-3-7-13-27)34(47-25-28-14-8-4-9-15-28)35(37(42)44)48-26-29-16-10-5-11-17-29/h2-21,32-35H,1,22-26H2,(H,41,45)/t32-,33-,34-,35-/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(C(=NS3(=O)=O)N)C#N)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C30H24N4O9S/c31-16-22-17-34(44(38,39)33-26(22)32)27-25(43-30(37)21-14-8-3-9-15-21)24(42-29(36)20-12-6-2-7-13-20)23(41-27)18-40-28(35)19-10-4-1-5-11-19/h1-15,17,23-25,27H,18H2,(H2,32,33)/t23-,24-,25-,27-/m1/s1
SMILES: C[C@@H]([C@H](C(=O)NCCO)NC(=O)[C@]12C[C@@H]3[C@H]4[C@@H]([C@H]1ON([C@H]2C(=O)O3)CC5=CC(=CC=C5)C=CCC6=CC=CC=C6O)OCO4)O
InChI: InChI=1S/C32H37N3O10/c1-18(37)24(29(39)33-12-13-36)34-31(41)32-15-23-25-26(43-17-42-25)28(32)45-35(27(32)30(40)44-23)16-20-8-4-6-19(14-20)7-5-10-21-9-2-3-11-22(21)38/h2-9,11,14,18,23-28,36-38H,10,12-13,15-17H2,1H3,(H,33,39)(H,34,41)/t18-,23+,24+,25-,26-,27-,28+,32-/m0/s1
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-]
InChI: InChI=1S/C16H21NO3/c1-11(12-7-3-2-4-8-12)17-15(18)13-9-5-6-10-14(13)16(19)20/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3,(H,17,18)(H,19,20)/p-1/t11-,13+,14+/m0/s1
SMILES: C1=CC=C(C=C1)S(=O)(=O)N[C@@H]2[C@H](C3=CC=CC4=C3C2=CC=C4)NCC5=CC=CO5
InChI: InChI=1S/C23H20N2O3S/c26-29(27,18-10-2-1-3-11-18)25-23-20-13-5-8-16-7-4-12-19(21(16)20)22(23)24-15-17-9-6-14-28-17/h1-14,22-25H,15H2/t22-,23-/m0/s1
SMILES: CC1=CC(=CC=C1)NC(=O)COC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C20H22N2O5/c1-13-5-4-6-14(11-13)21-17(23)12-27-18(24)9-10-22-19(25)15-7-2-3-8-16(15)20(22)26/h2-6,11,15-16H,7-10,12H2,1H3,(H,21,23)/t15-,16-/m0/s1
SMILES: CCCN([C@H]1CC(=NOC(C)(C)C)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC(=O)NCC)OCC=C)CCCCO)CCCCO)C(=O)OC
InChI: InChI=1S/C39H59N3O9/c1-8-19-42(37(46)47-7)33-25-31(41-51-38(4,5)6)29-23-26(15-11-13-20-43)28(16-12-14-21-44)34-30-24-27(49-36(45)40-10-3)17-18-32(30)50-39(33,35(29)34)48-22-9-2/h9,17-18,23-24,26,28,33-35,43-44H,2,8,10-16,19-22,25H2,1,3-7H3,(H,40,45)/t26-,28+,33-,34+,35+,39+/m0/s1
SMILES: CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O
InChI: InChI=1S/C14H26O10S/c1-2-25-14-11(21)9(19)12(6(4-16)23-14)24-13-10(20)8(18)7(17)5(3-15)22-13/h5-21H,2-4H2,1H3/t5-,6-,7+,8+,9-,10-,11-,12-,13+,14+/m1/s1
SMILES: C[C@H]1[C@@H]2CC[C@]3([C@@H](CC[C@@]([C@@H]3[C@@H]2OC1=O)(C)O)OS(=O)(=O)C)C
InChI: InChI=1S/C16H26O6S/c1-9-10-5-7-15(2)11(22-23(4,19)20)6-8-16(3,18)13(15)12(10)21-14(9)17/h9-13,18H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,15-,16+/m0/s1
SMILES: CCCC(=O)N1CC[C@@]2(CCCC[C@@H]2[C@H]1C3=CC(=C(C(=C3)OC)OC)OC)O
InChI: InChI=1S/C22H33NO5/c1-5-8-19(24)23-12-11-22(25)10-7-6-9-16(22)20(23)15-13-17(26-2)21(28-4)18(14-15)27-3/h13-14,16,20,25H,5-12H2,1-4H3/t16-,20-,22-/m1/s1
SMILES: COC1=C2C3=C(CN(CC[C@]34C=C[C@@H](C[C@@H]4O2)O)C(=O)NC5CCCCC5)C=C1
InChI: InChI=1S/C23H30N2O4/c1-28-18-8-7-15-14-25(22(27)24-16-5-3-2-4-6-16)12-11-23-10-9-17(26)13-19(23)29-21(18)20(15)23/h7-10,16-17,19,26H,2-6,11-14H2,1H3,(H,24,27)/t17-,19-,23-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC([C@@H]2O)CCCCCCCCCOC4CCCCO4)CCC5=C3C=CC(=C5)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C38H64O4Si/c1-37(2,3)43(5,6)42-30-19-21-31-28(26-30)18-20-33-32(31)22-23-38(4)34(33)27-29(36(38)39)16-12-10-8-7-9-11-14-24-40-35-17-13-15-25-41-35/h19,21,26,29,32-36,39H,7-18,20,22-25,27H2,1-6H3/t29?,32-,33-,34+,35?,36+,38+/m1/s1
SMILES: C1[C@H]([C@H]2[C@@H](C=C1C(=O)NCCC(=O)NCCO)OCO2)OC(=O)C3=CC=C(C=C3)I
InChI: InChI=1S/C20H23IN2O7/c21-14-3-1-12(2-4-14)20(27)30-16-10-13(9-15-18(16)29-11-28-15)19(26)23-6-5-17(25)22-7-8-24/h1-4,9,15-16,18,24H,5-8,10-11H2,(H,22,25)(H,23,26)/t15-,16-,18-/m1/s1
SMILES: CCCCCOC1=CC=C(C=C1)[C@H]2CC(=O)C=C([C@@H]2C(=O)OCC)O
InChI: InChI=1S/C20H26O5/c1-3-5-6-11-25-16-9-7-14(8-10-16)17-12-15(21)13-18(22)19(17)20(23)24-4-2/h7-10,13,17,19,22H,3-6,11-12H2,1-2H3/t17-,19-/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)CNS(=O)(=O)C5=CC=CC=C5)CN6CCN(CC6)CC7=CC=CC=C7
InChI: InChI=1S/C43H47N3O5S/c1-32-41(30-46-25-23-45(24-26-46)29-33-9-4-2-5-10-33)50-43(51-42(32)37-17-15-34(31-47)16-18-37)38-21-19-36(20-22-38)39-12-8-11-35(27-39)28-44-52(48,49)40-13-6-3-7-14-40/h2-22,27,32,41-44,47H,23-26,28-31H2,1H3/t32-,41+,42+,43+/m1/s1
SMILES: C1C=C(C[C@@H]2[C@@H]1C(=O)N(C2=O)C3=CNC(=O)NC3=O)Cl
InChI: InChI=1S/C12H10ClN3O4/c13-5-1-2-6-7(3-5)11(19)16(10(6)18)8-4-14-12(20)15-9(8)17/h1,4,6-7H,2-3H2,(H2,14,15,17,20)/t6-,7-/m1/s1
SMILES: CC[C@]12C[C@H]([C@H]3[C@@H](C(=O)O[C@@H]3[C@H]1C(=C)C(=O)OC2)C)OC(=O)C
InChI: InChI=1S/C17H22O6/c1-5-17-6-11(22-10(4)18)12-8(2)16(20)23-14(12)13(17)9(3)15(19)21-7-17/h8,11-14H,3,5-7H2,1-2,4H3/t8-,11+,12+,13+,14-,17+/m0/s1
SMILES: CCCCCC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)N
InChI: InChI=1S/C19H26N4O5/c1-3-4-5-6-9-13(20)16(25)12-10(8-28-18(21)26)19(27-2)17-11(22-17)7-23(19)14(12)15(9)24/h10-11,17,22H,3-8,20H2,1-2H3,(H2,21,26)/t10-,11+,17+,19-/m1/s1
SMILES: C[C@@H]1[C@H](CC[C@]2(C1CCC3=C2CC[C@]4([C@]3(CC[C@@H]4[C@H](C)CCCC(C)C)C)C)C)O
InChI: InChI=1S/C29H50O/c1-19(2)9-8-10-20(3)22-13-17-29(7)25-12-11-23-21(4)26(30)15-16-27(23,5)24(25)14-18-28(22,29)6/h19-23,26,30H,8-18H2,1-7H3/t20-,21+,22-,23?,26+,27+,28-,29+/m1/s1
SMILES: CCC(CC)C([C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)OCC)N=C(N)NC(=O)OCOC(=O)C(C)(C)C)NC(=O)C
InChI: InChI=1S/C24H42N4O8/c1-8-14(9-2)18(26-13(4)29)17-16(11-15(19(17)30)20(31)34-10-3)27-22(25)28-23(33)36-12-35-21(32)24(5,6)7/h14-19,30H,8-12H2,1-7H3,(H,26,29)(H3,25,27,28,33)/t15-,16+,17+,18?,19+/m0/s1
SMILES: C1C[NH+](CC[NH+]1CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C26H29N3O2/c30-25-22-13-7-8-14-23(22)26(31)29(25)19-27-15-17-28(18-16-27)24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-12,22-24H,13-19H2/p+2/t22-,23-/m1/s1
SMILES: CCOC(=O)CNC(=O)NC1=CC=CC(=C1)[C@H]2O[C@H]([C@H]([C@H](O2)C3=CC=C(C=C3)CO)C)CN4CCCCCCC4
InChI: InChI=1S/C31H43N3O6/c1-3-38-28(36)19-32-31(37)33-26-11-9-10-25(18-26)30-39-27(20-34-16-7-5-4-6-8-17-34)22(2)29(40-30)24-14-12-23(21-35)13-15-24/h9-15,18,22,27,29-30,35H,3-8,16-17,19-21H2,1-2H3,(H2,32,33,37)/t22-,27+,29+,30+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)CCC2=NC3=CC=CC=C3S2
InChI: InChI=1S/C20H26N2O3S/c1-13-7-3-4-8-15(13)22-20(24)14(2)25-19(23)12-11-18-21-16-9-5-6-10-17(16)26-18/h5-6,9-10,13-15H,3-4,7-8,11-12H2,1-2H3,(H,22,24)/t13-,14-,15+/m1/s1
SMILES: C1[C@H]2[C@](N3[C@H](S2)[C@@H](C3=O)NC(=O)CC4=CC=CC=C4)(OC1=O)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C23H19N3O8S/c27-17(10-13-4-2-1-3-5-13)24-19-20(29)25-21(19)35-16-11-18(28)34-23(16,25)22(30)33-12-14-6-8-15(9-7-14)26(31)32/h1-9,16,19,21H,10-12H2,(H,24,27)/t16-,19+,21+,23-/m0/s1
SMILES: COC1=C(C=C(C=C1)[C@H]2[C@@H]3CC=C[C@H]3C4=C(N2)C=CC(=C4)Cl)[N+](=O)[O-]
InChI: InChI=1S/C19H17ClN2O3/c1-25-18-8-5-11(9-17(18)22(23)24)19-14-4-2-3-13(14)15-10-12(20)6-7-16(15)21-19/h2-3,5-10,13-14,19,21H,4H2,1H3/t13-,14-,19+/m1/s1
SMILES: CCOC(=O)C1=C(O[C@]2([C@@]1(C(=O)C3=CC=CC=C32)O)O)C
InChI: InChI=1S/C15H14O6/c1-3-20-13(17)11-8(2)21-15(19)10-7-5-4-6-9(10)12(16)14(11,15)18/h4-7,18-19H,3H2,1-2H3/t14-,15-/m1/s1
SMILES: CCO[C@@H]1[C@@H]2[C@H]([C@H](O1)CP(=O)(OCC)OCC)OS(=O)(=O)O2
InChI: InChI=1S/C11H21O9PS/c1-4-15-11-10-9(19-22(13,14)20-10)8(18-11)7-21(12,16-5-2)17-6-3/h8-11H,4-7H2,1-3H3/t8-,9+,10+,11+/m1/s1
SMILES: COCCOC(=O)N1C2=C(C=C(C=C2)C#CC3(CCCCCC3)O)[C@]4(C1=O)[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC(=CC=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NC9=NC1=CC=CC=C1S9
InChI: InChI=1S/C55H52N4O10S/c1-66-31-32-68-53(64)58-42-24-23-35(25-28-54(65)26-12-2-3-13-27-54)33-40(42)55(51(58)63)44(49(61)57-52-56-41-21-10-11-22-43(41)70-52)46-50(62)69-47(37-17-8-5-9-18-37)45(36-15-6-4-7-16-36)59(46)48(55)38-19-14-20-39(34-38)67-30-29-60/h4-11,14-24,33-34,44-48,60,65H,2-3,12-13,26-27,29-32H2,1H3,(H,56,57,61)/t44-,45-,46-,47+,48+,55-/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)OC(=O)NC3=CC=CC=C3)NC(=O)NCC4=CC=CC=C4
InChI: InChI=1S/C21H23N3O5/c25-20(22-11-14-7-3-1-4-8-14)24-16-12-27-19-17(13-28-18(16)19)29-21(26)23-15-9-5-2-6-10-15/h1-10,16-19H,11-13H2,(H,23,26)(H2,22,24,25)/t16-,17+,18+,19+/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC[C@@H]3[C@H]([C@H](C(=O)O3)OCC4=CC=CC=C4)CO
InChI: InChI=1S/C30H36O5Si/c1-30(2,3)36(24-15-9-5-10-16-24,25-17-11-6-12-18-25)34-20-19-27-26(21-31)28(29(32)35-27)33-22-23-13-7-4-8-14-23/h4-18,26-28,31H,19-22H2,1-3H3/t26-,27-,28-/m1/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCC5(C4)OOC6(CCC(CC6)C(=O)O)OO5)C)OC(=O)C)OC(=O)C)C
InChI: InChI=1S/C35H52O12/c1-19(6-9-29(38)39)24-7-8-25-30-26(17-28(33(24,25)5)43-21(3)37)32(4)14-15-35(18-23(32)16-27(30)42-20(2)36)46-44-34(45-47-35)12-10-22(11-13-34)31(40)41/h19,22-28,30H,6-18H2,1-5H3,(H,38,39)(H,40,41)/t19-,22?,23-,24-,25+,26+,27-,28+,30+,32+,33-,34?,35?/m1/s1
SMILES: C[C@@H]1CC=CC[C@H](C(=O)O[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2OC)CO)OC(=O)NC3=CC=C(C=C3)C#N)OC1=O)C
InChI: InChI=1S/C25H30N2O9/c1-14-6-4-5-7-15(2)23(30)35-21-20(34-22(14)29)19(18(13-28)33-24(21)32-3)36-25(31)27-17-10-8-16(12-26)9-11-17/h4-5,8-11,14-15,18-21,24,28H,6-7,13H2,1-3H3,(H,27,31)/t14-,15-,18-,19+,20+,21-,24+/m1/s1
SMILES: C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C
InChI: InChI=1S/C21H28O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h3-4,11,15-17,22,25H,5-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H](CN[C@H]1CC(C)(C)C=C(C)C)C2=CC3=C(C=C2)OCO3
InChI: InChI=1S/C22H31NO4/c1-6-25-21(24)20-16(15-7-8-18-19(9-15)27-13-26-18)12-23-17(20)11-22(4,5)10-14(2)3/h7-10,16-17,20,23H,6,11-13H2,1-5H3/t16-,17+,20-/m1/s1
SMILES: CC1(O[C@H]2[C@H](O[C@H]3[C@@H]([C@H]2O1)OC(O3)(C)C)CO[C@@H]4C=CCCO4)C
InChI: InChI=1S/C17H26O7/c1-16(2)21-12-10(9-19-11-7-5-6-8-18-11)20-15-14(13(12)22-16)23-17(3,4)24-15/h5,7,10-15H,6,8-9H2,1-4H3/t10-,11-,12+,13+,14-,15-/m1/s1
SMILES: CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@]3(C4=C(C(=C(C=C4)C)C)NC3=O)N[C@H]2[C@@H](C)O
InChI: InChI=1S/C21H27N3O4/c1-6-10(3)24-18(26)14-15(19(24)27)21(23-17(14)12(5)25)13-8-7-9(2)11(4)16(13)22-20(21)28/h7-8,10,12,14-15,17,23,25H,6H2,1-5H3,(H,22,28)/t10-,12-,14+,15+,17+,21+/m1/s1
SMILES: CCOC(=O)[C@H]1C[C@@H]([C@H]([C@@H]([C@]1(C2=COC=C2)O)OCC3=CC=CC=C3)O)C
InChI: InChI=1S/C21H26O6/c1-3-26-20(23)17-11-14(2)18(22)19(21(17,24)16-9-10-25-13-16)27-12-15-7-5-4-6-8-15/h4-10,13-14,17-19,22,24H,3,11-12H2,1-2H3/t14-,17+,18+,19-,21+/m0/s1
SMILES: C[C@]1([C@H](N(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)[N+]#N.C(=O)(C(F)(F)F)[O-]
InChI: InChI=1S/C22H17ClN3O.C2HF3O2/c1-22(16-9-13-18(25-24)14-10-16)20(15-7-11-17(23)12-8-15)26(21(22)27)19-5-3-2-4-6-19;3-2(4,5)1(6)7/h2-14,20H,1H3;(H,6,7)/q+1;/p-1/t20-,22-;/m1./s1
SMILES: C[C@@]1(C[C@H]2[C@@H]([C@H]([C@@H]1O2)Cl)SC3=CC=CC=C3)O
InChI: InChI=1S/C13H15ClO2S/c1-13(15)7-9-11(10(14)12(13)16-9)17-8-5-3-2-4-6-8/h2-6,9-12,15H,7H2,1H3/t9-,10+,11-,12-,13-/m0/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NCCN
InChI: InChI=1S/C12H19N6O7P/c13-1-2-14-10-7-11(16-4-15-10)18(5-17-7)12-9(20)8(19)6(25-12)3-24-26(21,22)23/h4-6,8-9,12,19-20H,1-3,13H2,(H,14,15,16)(H2,21,22,23)/t6-,8-,9-,12-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@H]([C@H]2O)NC(=O)C)O)CO)CO)O)O
InChI: InChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9+,10-,11-,12-,13-,14-,15?,16+/m1/s1
SMILES: C[C@H]1[C@H](OC(O[C@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5)CN6CCC(CC6)N7C8=CC=CC=C8NC7=O
InChI: InChI=1S/C40H41N5O6S/c1-26-35(24-44-21-18-32(19-22-44)45-34-12-3-2-11-33(34)42-40(45)47)50-39(51-38(26)29-16-14-27(25-46)15-17-29)30-8-4-10-31(23-30)43-52(48,49)36-13-5-7-28-9-6-20-41-37(28)36/h2-17,20,23,26,32,35,38-39,43,46H,18-19,21-22,24-25H2,1H3,(H,42,47)/t26-,35+,38+,39?/m0/s1
SMILES: C[C@@]12CC[C@]3(CCC(C[C@H]3C1=CC[C@H]4[C@]2(C[C@H]([C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)O)C)(C)C)C(=O)O
InChI: InChI=1S/C30H48O6/c1-25(2)9-11-30(24(35)36)12-10-28(5)17(18(30)13-25)7-8-21-26(3)14-20(33)23(34)27(4,16-31)22(26)19(32)15-29(21,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19+,20+,21+,22+,23-,26+,27-,28+,29+,30-/m0/s1
SMILES: C[C@@H]1CC2=CC(=O)CC[C@@]2(C3C1C4CC[C@@H]([C@]4(CC3)C)OC(=O)C5=C(C=CC(=C5)S(=O)(=O)N)Cl)C
InChI: InChI=1S/C27H34ClNO5S/c1-15-12-16-13-17(30)8-10-26(16,2)21-9-11-27(3)20(24(15)21)5-7-23(27)34-25(31)19-14-18(35(29,32)33)4-6-22(19)28/h4,6,13-15,20-21,23-24H,5,7-12H2,1-3H3,(H2,29,32,33)/t15-,20?,21?,23+,24?,26+,27+/m1/s1
SMILES: C[C@@]12[C@H](CC([C@@H]1N(C3=CC=CC=C23)C)(C(=O)OC)C(=O)OC)C=C
InChI: InChI=1S/C19H23NO4/c1-6-12-11-19(16(21)23-4,17(22)24-5)15-18(12,2)13-9-7-8-10-14(13)20(15)3/h6-10,12,15H,1,11H2,2-5H3/t12-,15+,18-/m0/s1
SMILES: CCOC(=O)CN1C(=O)O[C@]2([C@@]13CCCC[C@@H]3C(=O)O2)C
InChI: InChI=1S/C14H19NO6/c1-3-19-10(16)8-15-12(18)21-13(2)14(15)7-5-4-6-9(14)11(17)20-13/h9H,3-8H2,1-2H3/t9-,13+,14+/m1/s1
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCNC3=C4C=CC(=CC4=NC=C3)Cl)SC1)C(=O)O
InChI: InChI=1S/C22H21ClN4O6S/c1-11(28)33-9-12-10-34-21-18(20(30)27(21)19(12)22(31)32)26-17(29)5-7-24-15-4-6-25-16-8-13(23)2-3-14(15)16/h2-4,6,8,18,21H,5,7,9-10H2,1H3,(H,24,25)(H,26,29)(H,31,32)/t18-,21-/m1/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)OC(=O)NC3=CC=CC4=CC=CC=C43)NC5=NC=CC(=N5)C6=CC(=CC=C6)F
InChI: InChI=1S/C27H23FN4O4/c28-18-8-3-7-17(13-18)20-11-12-29-26(30-20)31-22-14-34-25-23(15-35-24(22)25)36-27(33)32-21-10-4-6-16-5-1-2-9-19(16)21/h1-13,22-25H,14-15H2,(H,32,33)(H,29,30,31)/t22-,23+,24+,25+/m0/s1
SMILES: C=C1[C@H]([C@](C(=O)N1)(C(F)(F)F)NC(=O)C2=CC=C(C=C2)Cl)C#N
InChI: InChI=1S/C14H9ClF3N3O2/c1-7-10(6-19)13(12(23)20-7,14(16,17)18)21-11(22)8-2-4-9(15)5-3-8/h2-5,10H,1H2,(H,20,23)(H,21,22)/t10-,13+/m1/s1
SMILES: C[C@H]1[C@H](O[C@](CC1=C)([C@@H](C(=O)N[C@H]([C@@H]2C[C@H](C([C@H](O2)C[C@@H](COC)OC)(C)C)OC(=O)C3=CC=CC=C3)OC)OC(=O)C4=CC=CC=C4)OC)C
InChI: InChI=1S/C39H53NO11/c1-24-22-39(47-9,51-26(3)25(24)2)33(50-37(43)28-18-14-11-15-19-28)34(41)40-35(46-8)30-21-32(49-36(42)27-16-12-10-13-17-27)38(4,5)31(48-30)20-29(45-7)23-44-6/h10-19,25-26,29-33,35H,1,20-23H2,2-9H3,(H,40,41)/t25-,26-,29+,30+,31-,32-,33-,35+,39-/m1/s1
SMILES: C[C@]1\2CC[C@H]3[C@H]([C@@H]1CC/C2=N\NC(=O)C4=CC=NC=C4)CC[C@@H]5[C@@]3(CC=CC5)C
InChI: InChI=1S/C25H33N3O/c1-24-13-4-3-5-18(24)6-7-19-20-8-9-22(25(20,2)14-10-21(19)24)27-28-23(29)17-11-15-26-16-12-17/h3-4,11-12,15-16,18-21H,5-10,13-14H2,1-2H3,(H,28,29)/b27-22+/t18-,19+,20+,21+,24+,25+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OC([C@@H]1O[Si](C)(C)C(C)(C)C)(C#C)O)COCC2=CC=CC=C2
InChI: InChI=1S/C26H44O5Si2/c1-12-26(27)23(31-33(10,11)25(5,6)7)22(30-32(8,9)24(2,3)4)21(29-26)19-28-18-20-16-14-13-15-17-20/h1,13-17,21-23,27H,18-19H2,2-11H3/t21-,22-,23+,26?/m0/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CCC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F
InChI: InChI=1S/C18H16ClF3N2O3/c19-14-6-5-10(9-13(14)18(20,21)22)23-15(25)7-8-24-16(26)11-3-1-2-4-12(11)17(24)27/h1-2,5-6,9,11-12H,3-4,7-8H2,(H,23,25)/t11-,12+
SMILES: CC1=C(C=CC(=C1)[C@@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C)F.Cl
InChI: InChI=1S/C17H22FNO2.ClH/c1-10-8-11(4-6-14(10)18)13-9-12-5-7-15(19(12)2)16(13)17(20)21-3;/h4,6,8,12-13,15-16H,5,7,9H2,1-3H3;1H/t12-,13-,15+,16-;/m0./s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(C)CCC#N
InChI: InChI=1S/C22H28N4O2S/c1-15-8-6-11-19(16(15)2)26-21(28)17-9-4-5-10-18(17)24-22(26)29-14-20(27)25(3)13-7-12-23/h4-5,9-10,15-16,19H,6-8,11,13-14H2,1-3H3/t15-,16+,19-/m0/s1
SMILES: C[C@@]1(CCC[C@@]2([C@@H]1C[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C4)CO)O)C)CO
InChI: InChI=1S/C20H32O3/c1-18(12-22)6-3-7-19(2)15-5-4-13-9-20(15,10-14(13)11-21)17(23)8-16(18)19/h10,13,15-17,21-23H,3-9,11-12H2,1-2H3/t13-,15+,16-,17+,18-,19+,20-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CN(C)CC3=C(C=CC(=C3)Cl)OC
InChI: InChI=1S/C20H26ClN3O4/c1-13-6-4-5-7-16(13)24-19(26)18(25)23(20(24)27)12-22(2)11-14-10-15(21)8-9-17(14)28-3/h8-10,13,16H,4-7,11-12H2,1-3H3/t13-,16+/m1/s1
SMILES: CC1([C@@H](SC(=S)N1C)N2[C@@H]([C@@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)C
InChI: InChI=1S/C23H23N3O3S2/c1-23(2)21(31-22(30)24(23)3)26-17(14-10-6-4-7-11-14)16-18(29-26)20(28)25(19(16)27)15-12-8-5-9-13-15/h4-13,16-18,21H,1-3H3/t16-,17-,18-,21-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)CCSC2=NC3=CC=CC=C3S2
InChI: InChI=1S/C19H24N2O3S2/c1-13-6-2-3-7-14(13)20-17(22)12-24-18(23)10-11-25-19-21-15-8-4-5-9-16(15)26-19/h4-5,8-9,13-14H,2-3,6-7,10-12H2,1H3,(H,20,22)/t13-,14-/m1/s1
SMILES: CC1=CC2=C(C=C1)NC(=O)[C@@]23[C@H](C[C@H]4N3CCC4)C(=O)NC5=C(C=CC(=C5)OC)OC
InChI: InChI=1S/C24H27N3O4/c1-14-6-8-19-17(11-14)24(23(29)26-19)18(12-15-5-4-10-27(15)24)22(28)25-20-13-16(30-2)7-9-21(20)31-3/h6-9,11,13,15,18H,4-5,10,12H2,1-3H3,(H,25,28)(H,26,29)/t15-,18+,24-/m0/s1
SMILES: C[C@@H]1C[C@](CC2=C(CC[C@H]12)C)(C3=C(CCC3)C)O[Si](C)(C)C
InChI: InChI=1S/C20H34OSi/c1-14-10-11-17-16(3)12-20(13-18(14)17,21-22(4,5)6)19-9-7-8-15(19)2/h16-17H,7-13H2,1-6H3/t16-,17-,20+/m1/s1
SMILES: CCOC(=O)[C@]12CC[C@@H](C[C@@H]1CC(=O)C=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C20H24O4/c1-2-23-19(22)20-10-8-17(21)12-16(20)13-18(9-11-20)24-14-15-6-4-3-5-7-15/h3-8,10,16,18H,2,9,11-14H2,1H3/t16-,18-,20+/m0/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CC=NC=C5
InChI: InChI=1S/C23H19N3O4/c1-29-18-9-7-16(8-10-18)25-22(27)19-20(15-11-13-24-14-12-15)26(30-21(19)23(25)28)17-5-3-2-4-6-17/h2-14,19-21H,1H3/t19-,20+,21+/m0/s1
SMILES: CCCCOC(=O)C1=CC2=C(C=C1)N[C@H]([C@@H]3[C@H]2C=CC3)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C23H24N2O4/c1-2-3-13-29-23(26)16-9-12-21-20(14-16)18-5-4-6-19(18)22(24-21)15-7-10-17(11-8-15)25(27)28/h4-5,7-12,14,18-19,22,24H,2-3,6,13H2,1H3/t18-,19+,22+/m1/s1
SMILES: C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@H]3[C@H]([C@H](OC4=C(C(=CC(=C34)O)O)[C@@H]5[C@H]([C@H](OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O
InChI: InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38-,39-,40-,41-,42-,43-/m1/s1
SMILES: CCNC(=O)NCC1=CC(=CC=C1)C2=CC(=CC=C2)[C@H]3O[C@H]([C@H]([C@H](O3)C4=CC=C(C=C4)CO)C)CSC5=NN=C(S5)C
InChI: InChI=1S/C32H36N4O4S2/c1-4-33-31(38)34-17-23-7-5-8-25(15-23)26-9-6-10-27(16-26)30-39-28(19-41-32-36-35-21(3)42-32)20(2)29(40-30)24-13-11-22(18-37)12-14-24/h5-16,20,28-30,37H,4,17-19H2,1-3H3,(H2,33,34,38)/t20-,28+,29+,30+/m1/s1
SMILES: CC(C)(C)C(=O)OC[C@@H]1[C@H](C[C@H]([C@@H](O1)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
InChI: InChI=1S/C47H78O17/c1-41(2,3)34(48)55-23-27-25(22-26(60-36(50)43(7,8)9)32(58-27)64-40(54)47(19,20)21)57-33-31(63-39(53)46(16,17)18)30(62-38(52)45(13,14)15)29(61-37(51)44(10,11)12)28(59-33)24-56-35(49)42(4,5)6/h25-33H,22-24H2,1-21H3/t25-,26+,27+,28+,29+,30-,31+,32-,33-/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@@H]3CC[C@@]4(CCC[C@H]4[C@@H]3CC=C2C1)C)C
InChI: InChI=1S/C21H32O2/c1-14(22)23-16-8-12-21(3)15(13-16)6-7-17-18-5-4-10-20(18,2)11-9-19(17)21/h6,16-19H,4-5,7-13H2,1-3H3/t16-,17-,18-,19+,20-,21-/m0/s1
SMILES: C[C@@H]1[C@@H]2CC[C@@]3([C@]4(O3)CC=C([C@@H]4[C@@H]2OC1=O)C)C
InChI: InChI=1S/C15H20O3/c1-8-4-7-15-11(8)12-10(9(2)13(16)17-12)5-6-14(15,3)18-15/h4,9-12H,5-7H2,1-3H3/t9-,10+,11-,12-,14-,15+/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@@H]1[C@@H](N(C1=O)C(=O)OC(C)(C)C)CC2CCCCC2
InChI: InChI=1S/C24H45NO4Si/c1-16(2)30(17(3)4,18(5)6)29-21-20(15-19-13-11-10-12-14-19)25(22(21)26)23(27)28-24(7,8)9/h16-21H,10-15H2,1-9H3/t20-,21+/m0/s1
SMILES: C[C@@H]1[C@@H](N[C@@H]([C@@H](C1=O)C)C2=CC=CC=C2C)C3=CC=CC=C3C
InChI: InChI=1S/C21H25NO/c1-13-9-5-7-11-17(13)19-15(3)21(23)16(4)20(22-19)18-12-8-6-10-14(18)2/h5-12,15-16,19-20,22H,1-4H3/t15-,16+,19-,20+
SMILES: C[C@H]1[C@H]2[C@@H]3O[C@H]([C@](O2)([C@H](C1=O)C)CCCOC)OO3
InChI: InChI=1S/C13H20O6/c1-7-9(14)8(2)13(5-4-6-15-3)12-16-11(18-19-12)10(7)17-13/h7-8,10-12H,4-6H2,1-3H3/t7-,8+,10+,11-,12+,13-/m1/s1
SMILES: C1C[C@H]2C[C@@H]1C[C@@H]2N3CCN(CC3)C4C5CC6CC(C5)CC4C6
InChI: InChI=1S/C21H34N2/c1-2-17-8-14(1)13-20(17)22-3-5-23(6-4-22)21-18-9-15-7-16(11-18)12-19(21)10-15/h14-21H,1-13H2/t14-,15?,16?,17+,18?,19?,20+,21?/m1/s1
SMILES: CC1=C2C3=C(C[C@@H]4[C@]5([C@]3(CCN4C)[C@@H](O2)C6=C(C5)C7=CC=CC=C7N6)O)C=C1
InChI: InChI=1S/C24H24N2O2/c1-13-7-8-14-11-18-24(27)12-16-15-5-3-4-6-17(15)25-20(16)22-23(24,9-10-26(18)2)19(14)21(13)28-22/h3-8,18,22,25,27H,9-12H2,1-2H3/t18-,22+,23+,24-/m1/s1
SMILES: CC1([C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC3=C(C=C2)OC(=O)C=C3)OC(=O)N)O)OC)C
InChI: InChI=1S/C18H21NO8/c1-18(2)15(23-3)13(21)14(26-17(19)22)16(27-18)24-10-5-6-11-9(8-10)4-7-12(20)25-11/h4-8,13-16,21H,1-3H3,(H2,19,22)/t13-,14+,15+,16+/m0/s1
SMILES: CCOC(=O)[C@@]12CC[C@@H]([C@H]3CCC=C1[C@H]3OC2=O)OC
InChI: InChI=1S/C15H20O5/c1-3-19-13(16)15-8-7-11(18-2)9-5-4-6-10(15)12(9)20-14(15)17/h6,9,11-12H,3-5,7-8H2,1-2H3/t9-,11+,12+,15-/m1/s1
SMILES: C[C@@]1(C[C@@H]1C(=O)NNC(=O)C=CC(=O)[O-])C2=CC=CC=C2
InChI: InChI=1S/C15H16N2O4/c1-15(10-5-3-2-4-6-10)9-11(15)14(21)17-16-12(18)7-8-13(19)20/h2-8,11H,9H2,1H3,(H,16,18)(H,17,21)(H,19,20)/p-1/t11-,15-/m1/s1
SMILES: CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+]2CC[C@]3(CCCC[C@@H]3[C@@H]2C4=CC=CC=C4OC)O)C
InChI: InChI=1S/C26H34N2O5S/c1-16-17(2)34-24(22(16)25(30)33-4)27-21(29)15-28-14-13-26(31)12-8-7-10-19(26)23(28)18-9-5-6-11-20(18)32-3/h5-6,9,11,19,23,31H,7-8,10,12-15H2,1-4H3,(H,27,29)/p+1/t19-,23+,26+/m1/s1
SMILES: CN1[C@@H]2C[C@@H]([C@H]([C@H]1C[C@H]2CC3=CC=CC=C3)CC(=O)OC)CC4=CC=CC=C4
InChI: InChI=1S/C25H31NO2/c1-26-23-15-20(13-18-9-5-3-6-10-18)22(17-25(27)28-2)24(26)16-21(23)14-19-11-7-4-8-12-19/h3-12,20-24H,13-17H2,1-2H3/t20-,21+,22+,23+,24+/m0/s1
SMILES: COC1=C(C(=C2C=CC(=C(C2=C1)C(=O)O[C@@H]3C/C/4=C/C#C[C@@H]5[C@@](O5)(C#CC4=C3)[C@@H](CO)O)O)CO)Cl
InChI: InChI=1S/C27H21ClO8/c1-34-21-11-18-17(19(12-29)25(21)28)5-6-20(31)24(18)26(33)35-16-9-14-3-2-4-23-27(36-23,22(32)13-30)8-7-15(14)10-16/h3,5-6,10-11,16,22-23,29-32H,9,12-13H2,1H3/b14-3-/t16-,22-,23-,27-/m1/s1
SMILES: C1=CC=C(C=C1)CO[C@H]2C=C[C@H]([C@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)O
InChI: InChI=1S/C27H28O4/c28-24-16-17-25(29-18-21-10-4-1-5-11-21)27(31-20-23-14-8-3-9-15-23)26(24)30-19-22-12-6-2-7-13-22/h1-17,24-28H,18-20H2/t24-,25+,26-,27-/m1/s1