EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCC(C(=O)C(=O)NCC=C)NC(=O)[C@@H]1[C@H]2CCC3([C@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)N[C@H](CN4C(=O)CC(CC4=O)(C)C)C(C)(C)C)CC3
InChI: InChI=1S/C39H62N6O7/c1-11-13-25(30(48)33(50)40-18-12-2)41-32(49)29-23-14-15-39(16-17-39)24(23)21-45(29)34(51)31(37(6,7)8)43-35(52)42-26(36(3,4)5)22-44-27(46)19-38(9,10)20-28(44)47/h12,23-26,29,31H,2,11,13-22H2,1,3-10H3,(H,40,50)(H,41,49)(H2,42,43,52)/t23-,24-,25?,26+,29-,31+/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)NC(=S)NC3=CC=CC=C3)NC4=NC=CC(=N4)C5=CC=CO5
InChI: InChI=1S/C21H21N5O3S/c30-21(23-13-5-2-1-3-6-13)26-16-12-29-18-15(11-28-19(16)18)25-20-22-9-8-14(24-20)17-7-4-10-27-17/h1-10,15-16,18-19H,11-12H2,(H,22,24,25)(H2,23,26,30)/t15-,16-,18+,19+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC2=CC=C(C=C2)[N+](=O)[O-])N=[N+]=[N-])OC(=O)C)OC(=O)C
InChI: InChI=1S/C18H20N4O10/c1-9(23)28-8-14-16(29-10(2)24)17(30-11(3)25)15(20-21-19)18(32-14)31-13-6-4-12(5-7-13)22(26)27/h4-7,14-18H,8H2,1-3H3/t14-,15+,16-,17+,18-/m1/s1
SMILES: C1=CC(=CC(=C1)I)CNC2=C3C(=NC(=N2)N)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI: InChI=1S/C17H19IN6O4/c18-9-3-1-2-8(4-9)5-20-14-11-15(23-17(19)22-14)24(7-21-11)16-13(27)12(26)10(6-25)28-16/h1-4,7,10,12-13,16,25-27H,5-6H2,(H3,19,20,22,23)/t10-,12-,13-,16-/m1/s1
SMILES: CC1=C2C(=C(C(=C1N3CC[C@H](C3)CN)F)N)C(=O)C(=CN2[C@@H]4C[C@@H]4F)C(=O)O
InChI: InChI=1S/C19H22F2N4O3/c1-8-16-13(15(23)14(21)17(8)24-3-2-9(5-22)6-24)18(26)10(19(27)28)7-25(16)12-4-11(12)20/h7,9,11-12H,2-6,22-23H2,1H3,(H,27,28)/t9-,11-,12+/m0/s1
SMILES: C([C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O)[NH3+])O)O)O
InChI: InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/p+1/t2-,3-,4-,5+,6-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]([C@H](C3=CC=CC=C32)C[C@@H](C(=O)O)NC(=O)C)C4=C(C5=CC=CC=C5N4)C[C@@H](C(=O)O)NC(=O)C
InChI: InChI=1S/C33H34N4O8S/c1-18-12-14-21(15-13-18)46(44,45)37-29-11-7-5-9-23(29)25(17-28(33(42)43)35-20(3)39)31(37)30-24(16-27(32(40)41)34-19(2)38)22-8-4-6-10-26(22)36-30/h4-15,25,27-28,31,36H,16-17H2,1-3H3,(H,34,38)(H,35,39)(H,40,41)(H,42,43)/t25-,27-,28-,31+/m0/s1
SMILES: COC1(C2[C@H]([C@H](C3C4[C@H]([C@H](C1C5C2C6C5C4C(C36)(OC)OC)O)O)O)O)OC
InChI: InChI=1S/C20H30O8/c1-25-19(26-2)11-5-6-8-7(5)13-17(23)15(21)9(11)10(12(6)19)16(22)18(24)14(8)20(13,27-3)28-4/h5-18,21-24H,1-4H3/t5?,6?,7?,8?,9?,10?,11?,12?,13?,14?,15-,16+,17+,18-
SMILES: CC(=O)N[C@H]1[C@H]([C@H]2[C@H](COC(O2)(C)C)O[C@@H]1OC3=CC=CC(=C3)[N+](=O)[O-])O
InChI: InChI=1S/C17H22N2O8/c1-9(20)18-13-14(21)15-12(8-24-17(2,3)27-15)26-16(13)25-11-6-4-5-10(7-11)19(22)23/h4-7,12-16,21H,8H2,1-3H3,(H,18,20)/t12-,13-,14+,15+,16-/m0/s1
SMILES: CCC1=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=CC(=C(C(=C6)OC)O)OC)C7=CC=C(C=C7)Cl)NC8=CC=C(C=C8)F
InChI: InChI=1S/C42H37ClFN3O7/c1-4-22-5-15-28(16-6-22)46-38(49)30-18-17-29-31(35(30)40(46)51)21-32-39(50)47(45-27-13-11-26(44)12-14-27)41(52)42(32,24-7-9-25(43)10-8-24)36(29)23-19-33(53-2)37(48)34(20-23)54-3/h5-17,19-20,30-32,35-36,45,48H,4,18,21H2,1-3H3/t30-,31+,32-,35-,36-,42+/m0/s1
SMILES: CC1=CC=C(C=C1)N2[C@@H]([C@@H](CC2=O)C(=O)NCC3=CC=CC=N3)C4=CC=CS4
InChI: InChI=1S/C22H21N3O2S/c1-15-7-9-17(10-8-15)25-20(26)13-18(21(25)19-6-4-12-28-19)22(27)24-14-16-5-2-3-11-23-16/h2-12,18,21H,13-14H2,1H3,(H,24,27)/t18-,21+/m1/s1
SMILES: CC1=CC2=C(C=C1)N3[C@H](C=C2)C4([C@@H]([C@H]3C(=O)C5=CC=C(C=C5)Cl)C6=C(C(=CC=C6)OC)OC)C(=O)C7=CC=CC=C7C4=O
InChI: InChI=1S/C36H28ClNO5/c1-20-11-17-27-22(19-20)14-18-29-36(34(40)24-7-4-5-8-25(24)35(36)41)30(26-9-6-10-28(42-2)33(26)43-3)31(38(27)29)32(39)21-12-15-23(37)16-13-21/h4-19,29-31H,1-3H3/t29-,30-,31+/m1/s1
SMILES: C[C@@H]1CCC2[C@H]([C@@](O[C@H]3[C@@]24[C@H]1CC[C@@](O3)(OO4)C)(C(F)(F)F)OCC(=O)O)C
InChI: InChI=1S/C18H25F3O7/c1-9-4-5-12-10(2)17(18(19,20)21,24-8-13(22)23)26-14-16(12)11(9)6-7-15(3,25-14)27-28-16/h9-12,14H,4-8H2,1-3H3,(H,22,23)/t9-,10-,11+,12?,14+,15+,16-,17-/m1/s1
SMILES: CC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3[C@]4(C2=O)[C@H]5[C@@H]([C@@H](N4)CCSC)C(=O)N(C5=O)CC6=CC=CC=C6
InChI: InChI=1S/C32H32N4O4S/c1-20-12-14-22(15-13-20)33-26(37)19-35-25-11-7-6-10-23(25)32(31(35)40)28-27(24(34-32)16-17-41-2)29(38)36(30(28)39)18-21-8-4-3-5-9-21/h3-15,24,27-28,34H,16-19H2,1-2H3,(H,33,37)/t24-,27+,28-,32+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(C=C3C(=C2)C(=O)C(=CO3)C4=CC5=C(C(=C4)OC)OCO5)O)O)O)O
InChI: InChI=1S/C23H22O11/c1-9-18(25)20(27)21(28)23(33-9)34-15-5-11-14(6-13(15)24)30-7-12(19(11)26)10-3-16(29-2)22-17(4-10)31-8-32-22/h3-7,9,18,20-21,23-25,27-28H,8H2,1-2H3/t9-,18-,20+,21+,23-/m0/s1
SMILES: C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CSSC)C)\C)OC)(NC(=O)O2)O
InChI: InChI=1S/C35H48ClN3O10S2/c1-19-11-10-12-26(46-8)35(44)17-25(47-33(43)37-35)20(2)31-34(4,49-31)27(48-32(42)21(3)38(5)29(41)18-51-50-9)16-28(40)39(6)23-14-22(13-19)15-24(45-7)30(23)36/h10-12,14-15,20-21,25-27,31,44H,13,16-18H2,1-9H3,(H,37,43)/b12-10+,19-11+/t20-,21+,25+,26-,27+,31+,34+,35+/m1/s1
SMILES: C[C@H](CCCC(C)(C(=O)OC)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C
InChI: InChI=1S/C28H44O5/c1-18(8-6-15-28(4,32)26(31)33-5)23-12-13-24-20(9-7-14-27(23,24)3)10-11-21-16-22(29)17-25(30)19(21)2/h10-11,18,22-25,29-30,32H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-,28?/m1/s1
SMILES: CCC[C@@H](C)[C@H]1[C@@H](CC(C(=O)O1)(C)[Se](=O)C2=CC=CC=C2)C
InChI: InChI=1S/C18H26O3Se/c1-5-9-13(2)16-14(3)12-18(4,17(19)21-16)22(20)15-10-7-6-8-11-15/h6-8,10-11,13-14,16H,5,9,12H2,1-4H3/t13-,14-,16+,18?,22?/m1/s1
SMILES: CN1[C@@H]2CC(C[C@H]1[C@@H]3[C@H]2O3)OC(=O)[C@H](CC4=CC=CC=C4)O
InChI: InChI=1S/C17H21NO4/c1-18-12-8-11(9-13(18)16-15(12)22-16)21-17(20)14(19)7-10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11?,12-,13+,14-,15+,16-/m0/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)N[C@@H](CC4=CC=CC=C4)C(=O)OC)CN(CC5=CC=CC=C5)CC6=CC=CC=C6
InChI: InChI=1S/C44H47N3O6/c1-31-40(29-47(27-33-15-8-4-9-16-33)28-34-17-10-5-11-18-34)52-43(53-41(31)36-23-21-35(30-48)22-24-36)37-19-12-20-38(26-37)45-44(50)46-39(42(49)51-2)25-32-13-6-3-7-14-32/h3-24,26,31,39-41,43,48H,25,27-30H2,1-2H3,(H2,45,46,50)/t31-,39+,40+,41+,43+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=[N+]=[N-]
InChI: InChI=1S/C10H16N5O12P3/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(25-8)4-28(18,19)26-30(23,24)27-29(20,21)22/h3,6-8H,2,4H2,1H3,(H,18,19)(H,23,24)(H,12,16,17)(H2,20,21,22)/t6-,7+,8+/m0/s1
SMILES: CC(C)[Si]1([C@H]2[C@H]3[C@@H](O1)C[C@@H](ON3O[C@@H]2[C@H](CO)O)O[C@H]4CCCC[C@@H]4C5=CC=CC=C5)C(C)C
InChI: InChI=1S/C26H41NO6Si/c1-16(2)34(17(3)4)26-24-22(33-34)14-23(31-27(24)32-25(26)20(29)15-28)30-21-13-9-8-12-19(21)18-10-6-5-7-11-18/h5-7,10-11,16-17,19-26,28-29H,8-9,12-15H2,1-4H3/t19-,20+,21+,22+,23-,24-,25-,26+/m1/s1
SMILES: COC(=O)N1CCC[C@@H]2[C@H]1CCC[C@H]2C[Si](C)(C)C3=CC=CC=C3
InChI: InChI=1S/C20H31NO2Si/c1-23-20(22)21-14-8-12-18-16(9-7-13-19(18)21)15-24(2,3)17-10-5-4-6-11-17/h4-6,10-11,16,18-19H,7-9,12-15H2,1-3H3/t16-,18-,19+/m0/s1
SMILES: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=C(N=C3Cl)N)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C26H23ClN6O6/c1-2-29-22(34)18-17(38-24(35)14-9-5-3-6-10-14)19(39-25(36)15-11-7-4-8-12-15)23(37-18)33-13-30-16-20(27)31-26(28)32-21(16)33/h3-13,17-19,23H,2H2,1H3,(H,29,34)(H2,28,31,32)/t17-,18+,19-,23-/m1/s1
SMILES: C/C(=C\C=C\[C@@]1([C@@H]2CC[C@@]3([C@@]2(CCC(=CC3)C(=O)OC)OC(=O)C)C(=O)O1)C)/C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C29H38O13/c1-15(23(35)40-25-22(34)21(33)20(32)18(14-30)39-25)6-5-10-27(3)19-9-12-28(26(37)42-27)11-7-17(24(36)38-4)8-13-29(19,28)41-16(2)31/h5-7,10,18-22,25,30,32-34H,8-9,11-14H2,1-4H3/b10-5+,15-6+/t18-,19+,20-,21+,22-,25+,27-,28-,29+/m1/s1
SMILES: C1CN(C[C@H]([C@H]1NCC2=CC=C(C=C2)Cl)C3=CC=CC=C3)CC4=CC=CC=C4
InChI: InChI=1S/C25H27ClN2/c26-23-13-11-20(12-14-23)17-27-25-15-16-28(18-21-7-3-1-4-8-21)19-24(25)22-9-5-2-6-10-22/h1-14,24-25,27H,15-19H2/t24-,25-/m0/s1
SMILES: C[C@]1(CCC[C@@]2([C@@H]1CC[C@@H]3C2=CC[C@](C3)(C)C=C)C)CCC/C=C/C(=O)O
InChI: InChI=1S/C25H38O2/c1-5-23(2)17-13-20-19(18-23)11-12-21-24(3,15-9-16-25(20,21)4)14-8-6-7-10-22(26)27/h5,7,10,13,19,21H,1,6,8-9,11-12,14-18H2,2-4H3,(H,26,27)/b10-7+/t19-,21+,23-,24+,25-/m0/s1
SMILES: CC1=C(CCCC1)/C=C/C(=C/C=C/C(=C/C(=O)OC2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)/C)/C
InChI: InChI=1S/C32H42O11/c1-19(15-16-26-14-9-8-13-21(26)3)11-10-12-20(2)17-28(37)43-32-31(41-25(7)36)30(40-24(6)35)29(39-23(5)34)27(42-32)18-38-22(4)33/h10-12,15-17,27,29-32H,8-9,13-14,18H2,1-7H3/b12-10+,16-15+,19-11+,20-17+/t27-,29+,30+,31-,32?/m1/s1
SMILES: C1[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
InChI: InChI=1S/C34H36O5/c1-5-13-27(14-6-1)21-35-25-31-33(38-23-29-17-9-3-10-18-29)34(39-24-30-19-11-4-12-20-30)32(26-37-31)36-22-28-15-7-2-8-16-28/h1-20,31-34H,21-26H2/t31-,32+,33-,34-/m1/s1
SMILES: CC[C@]12[C@H]3[C@@H](C(=O)N(C3=O)C4=CC(=CC=C4)Br)[C@](C1=O)(C(=C2C5=CC=CC=C5)C6=CC=CC=C6)CC
InChI: InChI=1S/C31H26BrNO3/c1-3-30-23(19-12-7-5-8-13-19)24(20-14-9-6-10-15-20)31(4-2,29(30)36)26-25(30)27(34)33(28(26)35)22-17-11-16-21(32)18-22/h5-18,25-26H,3-4H2,1-2H3/t25-,26-,30-,31+/m0/s1
SMILES: CCC[C@@H]1O[C@H]2C[C@H]3[C@H]4CCC5=CC(=O)C=C[C@]5([C@@H]4[C@@H](C[C@]3([C@]2(O1)C(=O)COS(=O)(=O)C)C)O)C
InChI: InChI=1S/C26H36O8S/c1-5-6-22-33-21-12-18-17-8-7-15-11-16(27)9-10-24(15,2)23(17)19(28)13-25(18,3)26(21,34-22)20(29)14-32-35(4,30)31/h9-11,17-19,21-23,28H,5-8,12-14H2,1-4H3/t17-,18+,19-,21+,22-,23+,24-,25-,26+/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)NCC5=CC=CC=C5)CN6C=NC(=C6Cl)Cl
InChI: InChI=1S/C37H36Cl2N4O4/c1-24-32(21-43-23-42-34(38)35(43)39)46-36(47-33(24)28-13-11-26(22-44)12-14-28)29-17-15-27(16-18-29)31-10-6-5-9-30(31)20-41-37(45)40-19-25-7-3-2-4-8-25/h2-18,23-24,32-33,36,44H,19-22H2,1H3,(H2,40,41,45)/t24-,32+,33+,36+/m0/s1
SMILES: CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)NC2=CC=CC=C2O)C3=CSC=C3)CCCO
InChI: InChI=1S/C21H25NO5S/c1-2-26-21-15(6-5-10-23)16(14-9-11-28-13-14)12-19(27-21)20(25)22-17-7-3-4-8-18(17)24/h3-4,7-9,11-13,15-16,21,23-24H,2,5-6,10H2,1H3,(H,22,25)/t15-,16-,21-/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H]3C[C@@H]4C[C@]45N3C(=O)C[C@H]5CBr
InChI: InChI=1S/C26H32BrNO2Si/c1-25(2,3)31(22-10-6-4-7-11-22,23-12-8-5-9-13-23)30-18-21-14-19-16-26(19)20(17-27)15-24(29)28(21)26/h4-13,19-21H,14-18H2,1-3H3/t19-,20+,21-,26+/m1/s1
SMILES: C[C@]12CC[C@H](O1)C([C@@H]2CS(=O)(=O)C3=CC=CC=C3)(C)C
InChI: InChI=1S/C16H22O3S/c1-15(2)13(16(3)10-9-14(15)19-16)11-20(17,18)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3/t13-,14-,16+/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)OCC2=CC=C(C=C2)OC)OCC3=CC=C(C=C3)OC
InChI: InChI=1S/C25H32O9/c1-16(27)33-24-23(32-15-18-7-11-20(29-3)12-8-18)22(21(13-26)34-25(24)30-4)31-14-17-5-9-19(28-2)10-6-17/h5-12,21-26H,13-15H2,1-4H3/t21-,22-,23+,24-,25-/m1/s1
SMILES: CC1=C(C=C(C=C1)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOC5CCCCO5)C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)N(CC7=CC=C(C=C7)F)C(=O)OC8=CC=C(C=C8)[N+](=O)[O-])OCC=C)C
InChI: InChI=1S/C54H62FN3O11/c1-4-28-65-54-49(57(34-37-15-17-39(55)18-16-37)53(61)67-41-22-19-40(20-23-41)58(62)63)33-47(56-69-50-13-7-10-29-64-50)45-31-38(11-5-8-26-59)44(12-6-9-27-60)51(52(45)54)46-32-43(24-25-48(46)68-54)66-42-21-14-35(2)36(3)30-42/h4,14-25,30-32,38,44,49-52,59-60H,1,5-13,26-29,33-34H2,2-3H3/t38-,44+,49-,50?,51+,52+,54+/m0/s1
SMILES: C1C=C[C@H]2[C@H]1CN3[C@@H]([C@H]4CC=C[C@@H]4C5=CC(=CC2=C53)C(=O)O)C6=CC=C(C=C6)F
InChI: InChI=1S/C25H22FNO2/c26-17-9-7-14(8-10-17)23-20-6-2-5-19(20)22-12-16(25(28)29)11-21-18-4-1-3-15(18)13-27(23)24(21)22/h1-2,4-5,7-12,15,18-20,23H,3,6,13H2,(H,28,29)/t15-,18+,19+,20+,23-/m1/s1
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)OP(=O)(N)O[C@@H]2C[C@@H](CC[C@@H]2C(C)C)C)C(C)C
InChI: InChI=1S/C20H40NO3P/c1-13(2)17-9-7-15(5)11-19(17)23-25(21,22)24-20-12-16(6)8-10-18(20)14(3)4/h13-20H,7-12H2,1-6H3,(H2,21,22)/t15-,16-,17-,18-,19-,20-/m1/s1
SMILES: CC(C)(C)OC(=O)OC/C=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
InChI: InChI=1S/C41H46O8/c1-41(2,3)49-40(42)44-25-24-35-37(45-27-32-18-10-5-11-19-32)39(47-29-34-22-14-7-15-23-34)38(46-28-33-20-12-6-13-21-33)36(48-35)30-43-26-31-16-8-4-9-17-31/h4-24,36-39H,25-30H2,1-3H3/b35-24-/t36-,37+,38+,39-/m1/s1
SMILES: C1OC2=C(O1)C(=C3C(=C2)[C@@H]4[C@H]([C@@H]([C@@H]([C@H](C4OC(=O)C5=CC=CC=C5)O)O)O)NC3=O)O
InChI: InChI=1S/C21H19NO9/c23-14-12-9(6-10-18(14)30-7-29-10)11-13(22-20(12)27)15(24)16(25)17(26)19(11)31-21(28)8-4-2-1-3-5-8/h1-6,11,13,15-17,19,23-26H,7H2,(H,22,27)/t11-,13-,15+,16+,17-,19?/m1/s1
SMILES: CNCC1=CN(N=N1)C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCC4=CC=CC=C4
InChI: InChI=1S/C20H28N6O/c1-21-11-17-12-26(24-23-17)13-18-9-16-7-8-25(18)14-19(16)20(27)22-10-15-5-3-2-4-6-15/h2-6,12,16,18-19,21H,7-11,13-14H2,1H3,(H,22,27)/t16-,18-,19+/m1/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC3=C([C@H]2CC(=O)NCC[NH+]4CCOCC4)N=C(S3)C5=CN=CC=C5)(C)CO)O
InChI: InChI=1S/C27H38N4O4S/c1-26-6-5-22(33)27(2,17-32)21(26)15-20-24(30-25(36-20)18-4-3-7-28-16-18)19(26)14-23(34)29-8-9-31-10-12-35-13-11-31/h3-4,7,16,19,21-22,32-33H,5-6,8-15,17H2,1-2H3,(H,29,34)/p+1/t19-,21+,22-,26+,27+/m1/s1
SMILES: CN(CC1=CC=CC=C1N2CCCC2)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C21H27N3O2/c1-22(14-16-8-2-5-11-19(16)23-12-6-7-13-23)15-24-20(25)17-9-3-4-10-18(17)21(24)26/h2-5,8,11,17-18H,6-7,9-10,12-15H2,1H3/t17-,18-/m0/s1
SMILES: CCOC(=O)C1=C([C@@H]2[C@H]1[C@H]3C4=CC=CC=C4[C@@]2(O3)C(=O)OC)C(C)(C)O
InChI: InChI=1S/C20H22O6/c1-5-25-17(21)13-12-15(14(13)19(2,3)23)20(18(22)24-4)11-9-7-6-8-10(11)16(12)26-20/h6-9,12,15-16,23H,5H2,1-4H3/t12-,15-,16+,20-/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H](CCO[C@@H]2CNC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O[C@@H](CC6CCCCC6)C(=O)O)O)O)O)O.[Na]
InChI: InChI=1S/C41H57NO15.Na/c1-22-31(44)33(46)34(47)40(53-22)57-36-26(17-18-52-28(36)20-42-38(49)30(24-13-7-3-8-14-24)25-15-9-4-10-16-25)55-41-35(48)37(32(45)29(21-43)56-41)54-27(39(50)51)19-23-11-5-2-6-12-23;/h3-4,7-10,13-16,22-23,26-37,40-41,43-48H,2,5-6,11-12,17-21H2,1H3,(H,42,49)(H,50,51);/t22-,26+,27-,28+,29+,31+,32-,33+,34-,35+,36-,37-,40-,41+;/m0./s1
SMILES: COC1=CC=C(C=C1)[C@@H]2CC3=C(C=CC(=C3)S(=O)C)NC(=O)[C@@H]2O
InChI: InChI=1S/C18H19NO4S/c1-23-13-5-3-11(4-6-13)15-10-12-9-14(24(2)22)7-8-16(12)19-18(21)17(15)20/h3-9,15,17,20H,10H2,1-2H3,(H,19,21)/t15-,17+,24?/m0/s1
SMILES: CCCC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC)O)OC(=O)CCC)O
InChI: InChI=1S/C15H26O8/c1-4-6-10(16)21-8-9-12(18)14(23-11(17)7-5-2)13(19)15(20-3)22-9/h9,12-15,18-19H,4-8H2,1-3H3/t9-,12+,13-,14+,15+/m1/s1
SMILES: C[C@H]1/C=C/C=C(/C(=O)NC2=CC(=O)C3=C(C2=O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)\C
InChI: InChI=1S/C37H45NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,41-43H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12+/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@H]2[C@H](C(=O)C(=O)O2)OCC3=CC=C(C=C3)Br)C
InChI: InChI=1S/C16H17BrO6/c1-16(2)21-8-11(23-16)13-14(12(18)15(19)22-13)20-7-9-3-5-10(17)6-4-9/h3-6,11,13-14H,7-8H2,1-2H3/t11-,13+,14+/m1/s1
SMILES: CC(C)S(=O)(=O)N[C@H]1C[C@@H]1C2=CC=C(C=C2)C3=CSC=C3
InChI: InChI=1S/C16H19NO2S2/c1-11(2)21(18,19)17-16-9-15(16)13-5-3-12(4-6-13)14-7-8-20-10-14/h3-8,10-11,15-17H,9H2,1-2H3/t15-,16+/m1/s1
SMILES: CC1=CC(=O)C[C@@]([C@H]1CC[C@H](C)OC(=O)[C@](C2=CC=CC=C2)(C(F)(F)F)OC)(C)COC(=O)[C@](C3=CC=CC=C3)(C(F)(F)F)OC
InChI: InChI=1S/C33H36F6O7/c1-21-18-25(40)19-29(3,20-45-27(41)30(43-4,32(34,35)36)23-12-8-6-9-13-23)26(21)17-16-22(2)46-28(42)31(44-5,33(37,38)39)24-14-10-7-11-15-24/h6-15,18,22,26H,16-17,19-20H2,1-5H3/t22-,26-,29-,30+,31+/m0/s1
SMILES: CN(C1=C(C=CC(=N1)C(F)(F)F)Cl)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(C7=CC=CC=C7C=C6)O)C8=CC=C(C=C8)Cl)NC9=C(C=C(C=N9)C(F)(F)F)Cl
InChI: InChI=1S/C43H29Cl3F6N6O5/c1-56(36-29(45)14-15-31(54-36)43(50,51)52)58-37(60)25-13-12-24-27(32(25)39(58)62)17-28-38(61)57(55-35-30(46)16-21(18-53-35)42(47,48)49)40(63)41(28,20-7-9-22(44)10-8-20)33(24)26-11-6-19-4-2-3-5-23(19)34(26)59/h2-12,14-16,18,25,27-28,32-33,59H,13,17H2,1H3,(H,53,55)/t25-,27+,28-,32-,33+,41+/m0/s1
SMILES: CC(=O)[C@H]1CC[C@@]2([C@@]1(CC[C@]3([C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)C)O
InChI: InChI=1S/C21H34O4/c1-13(22)16-7-9-20(24)17-5-4-14-12-15(23)6-8-18(14,2)21(17,25)11-10-19(16,20)3/h14-17,23-25H,4-12H2,1-3H3/t14-,15+,16-,17+,18+,19-,20-,21-/m1/s1
SMILES: C1C[C@H]2[C@@H]3[C@@H]1[C@@H](C4=CC=CC=C24)NC(=O)N(C(=O)N3)C5=CC=CC=C5
InChI: InChI=1S/C20H19N3O2/c24-19-21-17-14-9-5-4-8-13(14)15-10-11-16(17)18(15)22-20(25)23(19)12-6-2-1-3-7-12/h1-9,15-18H,10-11H2,(H,21,24)(H,22,25)/t15-,16+,17-,18-/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@@H]1[C@H]([C@@H](O[C@H]2[C@H]1O[Si](OC2)(C(C)(C)C)C(C)(C)C)C3=C(C=C(C=C3OCC4=CC=CC=C4)OCC5=CC=CC=C5)COCC6=CC=CC=C6)O
InChI: InChI=1S/C51H72O8Si2/c1-35(2)60(36(3)4,37(5)6)58-49-46(52)48(57-44-34-56-61(50(7,8)9,51(10,11)12)59-47(44)49)45-41(33-53-30-38-22-16-13-17-23-38)28-42(54-31-39-24-18-14-19-25-39)29-43(45)55-32-40-26-20-15-21-27-40/h13-29,35-37,44,46-49,52H,30-34H2,1-12H3/t44-,46+,47-,48+,49-/m1/s1
SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=C(C=C(C=C3)N4C[C@@H](OC4=O)CNC(=O)C5=C[C@H]([C@H]([C@@H](C5)O)O)O)F)F
InChI: InChI=1S/C29H30F2N4O9/c1-14(36)32-10-18-12-34(28(41)43-18)16-2-4-20(22(30)8-16)21-5-3-17(9-23(21)31)35-13-19(44-29(35)42)11-33-27(40)15-6-24(37)26(39)25(38)7-15/h2-6,8-9,18-19,24-26,37-39H,7,10-13H2,1H3,(H,32,36)(H,33,40)/t18-,19-,24+,25+,26+/m0/s1
SMILES: CC1=CC[C@H]2C(=O)C=C(C(=O)[C@@]2([C@@H]1CC(=O)O)C)OC
InChI: InChI=1S/C15H18O5/c1-8-4-5-9-11(16)7-12(20-3)14(19)15(9,2)10(8)6-13(17)18/h4,7,9-10H,5-6H2,1-3H3,(H,17,18)/t9-,10+,15-/m0/s1
SMILES: B1(OC2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)C4=CC=C(C=C4)Br
InChI: InChI=1S/C16H20BBrO2/c1-15(2)10-8-13(15)16(3)14(9-10)19-17(20-16)11-4-6-12(18)7-5-11/h4-7,10,13-14H,8-9H2,1-3H3/t10-,13-,14?,16-/m0/s1
SMILES: CCC(CC)[C@H]1[C@]2([C@@]1([C@@]3([NH+]=C2N)OCCS3)C#N)C#N
InChI: InChI=1S/C14H18N4OS/c1-3-9(4-2)10-12(7-15)11(17)18-14(13(10,12)8-16)19-5-6-20-14/h9-10H,3-6H2,1-2H3,(H2,17,18)/p+1/t10-,12+,13+,14+/m0/s1
SMILES: CCCCOC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC)OC(C)OCC)OC(C)OCC)OC(C)OCC
InChI: InChI=1S/C23H46O9/c1-9-13-14-25-15-19-20(29-16(5)26-10-2)21(30-17(6)27-11-3)22(23(24-8)32-19)31-18(7)28-12-4/h16-23H,9-15H2,1-8H3/t16?,17?,18?,19-,20-,21+,22-,23+/m1/s1
SMILES: COC1=CC=C(C=C1)NC(=O)CSC2=NN=NN2[C@H]3C[C@H]4C[C@@H]3C=C4
InChI: InChI=1S/C17H19N5O2S/c1-24-14-6-4-13(5-7-14)18-16(23)10-25-17-19-20-21-22(17)15-9-11-2-3-12(15)8-11/h2-7,11-12,15H,8-10H2,1H3,(H,18,23)/t11-,12+,15+/m1/s1
SMILES: CC1=CC[C@@H]2[C@@H](C1)C3=C(C=C(C=C3OC2(C)C)C=C4C5CC6CC(C5)CC4C6)O
InChI: InChI=1S/C27H34O2/c1-15-4-5-23-22(6-15)26-24(28)13-18(14-25(26)29-27(23,2)3)12-21-19-8-16-7-17(10-19)11-20(21)9-16/h4,12-14,16-17,19-20,22-23,28H,5-11H2,1-3H3/t16?,17?,19?,20?,22-,23-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC3(C4=CC=CC=C4SC5=CC=CC=C53)C6=CC(=C(C=C6)OC)OC)O
InChI: InChI=1S/C31H30N2O7S/c1-18-16-33(30(36)32-29(18)35)28-15-22(34)25(40-28)17-39-31(19-12-13-23(37-2)24(14-19)38-3)20-8-4-6-10-26(20)41-27-11-7-5-9-21(27)31/h4-14,16,22,25,28,34H,15,17H2,1-3H3,(H,32,35,36)/t22-,25+,28+/m0/s1
SMILES: C[C@H]1C[C@@H]1C2=CC=C(O2)/C=N\NC(=S)NC[C@@H]3CCCO3
InChI: InChI=1S/C15H21N3O2S/c1-10-7-13(10)14-5-4-12(20-14)9-17-18-15(21)16-8-11-3-2-6-19-11/h4-5,9-11,13H,2-3,6-8H2,1H3,(H2,16,18,21)/b17-9-/t10-,11-,13-/m0/s1
SMILES: CCOC1=N[C@@H]2[C@H]([C@@H]1C3=CC=C(C=C3)[N+](=O)[O-])N(C4=CC=CC=C4N2)C
InChI: InChI=1S/C19H20N4O3/c1-3-26-19-16(12-8-10-13(11-9-12)23(24)25)17-18(21-19)20-14-6-4-5-7-15(14)22(17)2/h4-11,16-18,20H,3H2,1-2H3/t16-,17-,18+/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(C[C@H]3CCCO3)C(=O)OC4=CC5=CC=CC=C5C=C4)O)C6=C(C=C(C[C@H](CC1)O)C=C6)C(=O)C7=CC(=C(C=C7)F)F)C
InChI: InChI=1S/C45H49F2NO6/c1-29-7-5-20-44(2)39(37-17-12-30(23-34(49)15-11-29)24-38(37)42(50)33-14-18-40(46)41(47)26-33)19-21-45(44,52)28-48(27-36-10-6-22-53-36)43(51)54-35-16-13-31-8-3-4-9-32(31)25-35/h3-4,7-9,12-14,16-18,24-26,34,36,39,49,52H,5-6,10-11,15,19-23,27-28H2,1-2H3/t34-,36+,39-,44-,45+/m0/s1
SMILES: CC1=C2C(=CC=C1)CO[C@H]([C@@H](OCC3=CC=CC(=C32)C)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C30H28O2/c1-21-11-9-17-25-19-31-29(23-13-5-3-6-14-23)30(24-15-7-4-8-16-24)32-20-26-18-10-12-22(2)28(26)27(21)25/h3-18,29-30H,19-20H2,1-2H3/t29-,30-/m0/s1
SMILES: CCON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OCCN5CC5)CCCCO)CCCCO)OCC=C)SCCC6=CC=NC=C6
InChI: InChI=1S/C40H55N3O6S/c1-3-23-47-40-37(50-25-15-29-13-16-41-17-14-29)28-35(42-48-4-2)33-26-30(9-5-7-21-44)32(10-6-8-22-45)38(39(33)40)34-27-31(11-12-36(34)49-40)46-24-20-43-18-19-43/h3,11-14,16-17,26-27,30,32,37-39,44-45H,1,4-10,15,18-25,28H2,2H3/t30-,32+,37-,38+,39+,40+/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@]13C=C[C@]4([C@@H]2CC[C@]5([C@H]4CC[C@@]56CN(C(=O)O6)CC7=CC=C(C=C7)OC(F)(F)F)C)C(=C3)C(=O)C8=CC=CC=C8)O
InChI: InChI=1S/C38H40F3NO5/c1-33-15-12-26(43)20-35(33)18-19-37(28(21-35)31(44)25-6-4-3-5-7-25)29(33)13-16-34(2)30(37)14-17-36(34)23-42(32(45)47-36)22-24-8-10-27(11-9-24)46-38(39,40)41/h3-11,18-19,21,26,29-30,43H,12-17,20,22-23H2,1-2H3/t26-,29+,30+,33+,34-,35-,36+,37+/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)NC2=N[C@@H]3[C@H](O2)[C@H]([C@@H]([C@@]3(CO)O)O)O)O)O)O
InChI: InChI=1S/C13H22N2O9/c1-3-4(17)5(18)6(19)11(23-3)15-12-14-9-8(24-12)7(20)10(21)13(9,22)2-16/h3-11,16-22H,2H2,1H3,(H,14,15)/t3-,4-,5+,6-,7-,8-,9-,10+,11+,13+/m1/s1
SMILES: C/C=C(\C)/C(=O)O[C@@H]1[C@H]2[C@H]3[C@](CO2)([C@@H](C[C@@H]([C@@]3([C@H]([C@]1(C)C4=C(C(C[C@@H]4O)C5=COC=C5)C)CC(=O)OC)C)OC(=O)C)OC(=O)C)C
InChI: InChI=1S/C36H48O11/c1-10-18(2)33(41)47-32-30-31-34(6,17-44-30)26(45-20(4)37)15-27(46-21(5)38)35(31,7)25(14-28(40)42-9)36(32,8)29-19(3)23(13-24(29)39)22-11-12-43-16-22/h10-12,16,23-27,30-32,39H,13-15,17H2,1-9H3/b18-10+/t23?,24-,25+,26+,27-,30+,31-,32+,34+,35-,36+/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@@H]1O)COCC2=CC=CC=C2)OC)N=[N+]=[N-]
InChI: InChI=1S/C16H21N3O6/c1-10(20)24-15-13(18-19-17)16(22-2)25-12(14(15)21)9-23-8-11-6-4-3-5-7-11/h3-7,12-16,21H,8-9H2,1-2H3/t12-,13-,14+,15-,16+/m1/s1
SMILES: C1[C@@H]2[C@H]3[C@H]([C@@H]([C@H]([C@@H]3O)O1)O)N(O2)CC4=CC=CC=C4
InChI: InChI=1S/C14H17NO4/c16-12-10-9-7-18-14(12)13(17)11(10)15(19-9)6-8-4-2-1-3-5-8/h1-5,9-14,16-17H,6-7H2/t9-,10+,11-,12-,13+,14+/m1/s1
SMILES: CC1=CC(=O)[C@H]2C[C@H](C[C@@]([C@@H]2C1)(C)CCOCC3=CC=C(C=C3)OC)OCOC
InChI: InChI=1S/C24H34O5/c1-17-11-22-21(23(25)12-17)13-20(29-16-26-3)14-24(22,2)9-10-28-15-18-5-7-19(27-4)8-6-18/h5-8,12,20-22H,9-11,13-16H2,1-4H3/t20-,21+,22-,24-/m1/s1
SMILES: CC(C)(C)[Si]1(OC[C@@H]2[C@@H](O1)[C@H]3[C@@H](S2)N4C=CC(=O)N=C4O3)C(C)(C)C
InChI: InChI=1S/C17H26N2O4SSi/c1-16(2,3)25(17(4,5)6)21-9-10-12(23-25)13-14(24-10)19-8-7-11(20)18-15(19)22-13/h7-8,10,12-14H,9H2,1-6H3/t10-,12-,13+,14-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@H](C1)OC(=O)COC(=O)C2=C(C=CS2)C)C(C)C
InChI: InChI=1S/C18H26O4S/c1-11(2)14-6-5-12(3)9-15(14)22-16(19)10-21-18(20)17-13(4)7-8-23-17/h7-8,11-12,14-15H,5-6,9-10H2,1-4H3/t12-,14+,15+/m1/s1
SMILES: CC(C)(C)[Si](C(C)(C)C)(O)OC1=C(C=C(C=C1)[C@@H]2[C@H](CC3=C(C=C(C=C3O2)O)O)O)O
InChI: InChI=1S/C23H32O7Si/c1-22(2,3)31(28,23(4,5)6)30-19-8-7-13(9-17(19)26)21-18(27)12-15-16(25)10-14(24)11-20(15)29-21/h7-11,18,21,24-28H,12H2,1-6H3/t18-,21+/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)N4C)C)C)C(=O)O
InChI: InChI=1S/C22H35NO3/c1-13(20(25)26)15-6-7-16-14-5-8-18-22(3,12-10-19(24)23(18)4)17(14)9-11-21(15,16)2/h13-18H,5-12H2,1-4H3,(H,25,26)/t13-,14-,15+,16-,17-,18+,21+,22+/m0/s1
SMILES: CO[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[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O
InChI: InChI=1S/C19H34O16/c1-30-17-13(28)10(25)15(6(3-21)32-17)35-19-14(29)11(26)16(7(4-22)33-19)34-18-12(27)9(24)8(23)5(2-20)31-18/h5-29H,2-4H2,1H3/t5-,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-/m1/s1
SMILES: CN([C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OCC5=CC=CC=C5F)OCC=C)CCCCO)CCCCO)C(=O)C6=CC=C(C=C6)C#N
InChI: InChI=1S/C44H50FN3O7/c1-4-23-54-44-40(48(2)43(51)30-17-15-29(27-46)16-18-30)26-38(47-52-3)35-24-31(11-7-9-21-49)34(13-8-10-22-50)41(42(35)44)36-25-33(19-20-39(36)55-44)53-28-32-12-5-6-14-37(32)45/h4-6,12,14-20,24-25,31,34,40-42,49-50H,1,7-11,13,21-23,26,28H2,2-3H3/t31-,34+,40-,41+,42+,44+/m0/s1