EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2CCC3=C([C@@H]2C4=CC=C(C=C4)F)N=CC=C3
InChI: InChI=1S/C25H20F7NO/c1-14(17-11-18(24(27,28)29)13-19(12-17)25(30,31)32)34-21-9-6-16-3-2-10-33-23(16)22(21)15-4-7-20(26)8-5-15/h2-5,7-8,10-14,21-22H,6,9H2,1H3/t14-,21-,22+/m0/s1
SMILES: C[C@@H](C(=O)NCC1=CC(=C(C=C1)OC)OC)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C20H24N2O5/c1-12(22-19(24)14-6-4-5-7-15(14)20(22)25)18(23)21-11-13-8-9-16(26-2)17(10-13)27-3/h4-5,8-10,12,14-15H,6-7,11H2,1-3H3,(H,21,23)/t12-,14+,15+/m0/s1
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC(C(CO)O)C(C(CO)O)O)O)O)O)O.O
InChI: InChI=1S/C12H24O11.H2O/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12;/h4-21H,1-3H2;1H2/t4?,5?,6-,7?,8+,9+,10-,11?,12+;/m1./s1
SMILES: CC(C)(C)C(=O)O[C@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)N2CCC(=O)C[C@H]2C3=CC(=CC=C3)F)COC(=O)C(C)(C)CCCCCCO
InChI: InChI=1S/C42H64FNO11/c1-39(2,3)35(47)53-31-30(25-51-38(50)42(10,11)20-14-12-13-15-22-45)52-34(44-21-19-28(46)24-29(44)26-17-16-18-27(43)23-26)33(55-37(49)41(7,8)9)32(31)54-36(48)40(4,5)6/h16-18,23,29-34,45H,12-15,19-22,24-25H2,1-11H3/t29-,30+,31-,32-,33+,34+/m0/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CCCCC(=O)O)C(=O)O)COC(=O)N
InChI: InChI=1S/C15H19N3O8S/c16-15(25)26-5-7-6-27-13-10(12(22)18(13)11(7)14(23)24)17-8(19)3-1-2-4-9(20)21/h10,13H,1-6H2,(H2,16,25)(H,17,19)(H,20,21)(H,23,24)/t10-,13-/m1/s1
SMILES: C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4C(=O)CO)CO)O
InChI: InChI=1S/C21H32O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h12-16,19,22-24H,2-11H2,1H3/t12-,13-,14+,15+,16-,19-,20+,21-/m1/s1
SMILES: CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3C=C2)(C)COC(=O)C4=CC=CC=C4)C
InChI: InChI=1S/C27H32O2/c1-19(2)21-11-13-23-22(17-21)12-14-24-26(3,15-8-16-27(23,24)4)18-29-25(28)20-9-6-5-7-10-20/h5-7,9-14,17,19,24H,8,15-16,18H2,1-4H3/t24-,26-,27+/m0/s1
SMILES: CC1=CC=C(C=C1)CON2[C@@H]3CCCC[C@@H]3N(C(=O)C2=O)OCC4=CC=C(C=C4)C
InChI: InChI=1S/C24H28N2O4/c1-17-7-11-19(12-8-17)15-29-25-21-5-3-4-6-22(21)26(24(28)23(25)27)30-16-20-13-9-18(2)10-14-20/h7-14,21-22H,3-6,15-16H2,1-2H3/t21-,22+
SMILES: C[C@H](C(=O)O)O[C@@H]1[C@@H](C(O[C@@H](C1NC(=O)C)O)CO)O
InChI: InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6?,7?,8-,9+,11+/m1/s1
SMILES: CCOC(=O)C1=CC=CC=C1N2C(=O)[C@H]3[C@@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)C
InChI: InChI=1S/C28H23NO4/c1-3-33-27(32)18-12-6-9-15-21(18)29-25(30)23-22-16-10-4-7-13-19(16)28(2,24(23)26(29)31)20-14-8-5-11-17(20)22/h4-15,22-24H,3H2,1-2H3/t22?,23-,24+,28?/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)C2=CC3=CC=CC=C3C=C2
InChI: InChI=1S/C19H23NO/c1-13-6-5-9-18(14(13)2)20-19(21)17-11-10-15-7-3-4-8-16(15)12-17/h3-4,7-8,10-14,18H,5-6,9H2,1-2H3,(H,20,21)/t13-,14+,18+/m1/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CC1=CC=CC2=CC=CC=C21)[C@H]3CC(=NOC(C)(C)C)C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]3(OC6=C5C=C(C=C6)OC(=O)NC7=C(C=C(C=C7)OC)OC)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C64H87N3O11/c1-8-10-11-12-13-14-15-16-17-24-39-74-62(71)67(44-47-29-25-28-45-26-18-19-30-50(45)47)58-43-55(66-78-63(3,4)5)52-40-46(27-20-22-36-68)51(31-21-23-37-69)59-53-41-49(33-35-56(53)77-64(58,60(52)59)75-38-9-2)76-61(70)65-54-34-32-48(72-6)42-57(54)73-7/h9,18-19,25-26,28-30,32-35,40-42,46,51,58-60,68-69H,2,8,10-17,20-24,27,31,36-39,43-44H2,1,3-7H3,(H,65,70)/t46-,51+,58-,59+,60+,64+/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)CCC(=O)[O-]
InChI: InChI=1S/C12H13Br2NO4/c13-9-4-3-5(10(9)14)8-7(4)11(18)15(12(8)19)2-1-6(16)17/h4-5,7-10H,1-3H2,(H,16,17)/p-1/t4-,5+,7+,8-,9-,10+
SMILES: CC(C)[C@](CCCC(C)[C@H]1CCC\2[C@@]1(CCC/C2=C/C=C3C[C@@H](C[C@@H](C3)O)O)C)(CO)C4=CC=CS4
InChI: InChI=1S/C32H50O3S/c1-22(2)32(21-33,30-10-7-17-36-30)16-5-8-23(3)28-13-14-29-25(9-6-15-31(28,29)4)12-11-24-18-26(34)20-27(35)19-24/h7,10-12,17,22-23,26-29,33-35H,5-6,8-9,13-16,18-21H2,1-4H3/b24-11?,25-12-/t23?,26-,27+,28-,29?,31-,32+/m1/s1
SMILES: CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O
InChI: InChI=1S/C19H18N4O4S/c1-12-10-11-20-19(21-12)22-28(26,27)14-8-6-13(7-9-14)23-17(24)15-4-2-3-5-16(15)18(23)25/h2-3,6-11,15-16H,4-5H2,1H3,(H,20,21,22)/t15-,16-/m1/s1
SMILES: CC1=CC(=O)[C@@H]2C[C@@H]3C(=CCN4N3C(=O)N(C4=O)C5=CC=CC=C5)[C@@H]([C@@]2(C1=O)C)C6=CC(=CC=C6)O
InChI: InChI=1S/C28H25N3O5/c1-16-13-23(33)21-15-22-20(24(28(21,2)25(16)34)17-7-6-10-19(32)14-17)11-12-29-26(35)30(27(36)31(22)29)18-8-4-3-5-9-18/h3-11,13-14,21-22,24,32H,12,15H2,1-2H3/t21-,22+,24-,28+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2CCO)CCC4=CC(=O)CCC34
InChI: InChI=1S/C20H30O2/c1-20-10-8-17-16-6-4-15(22)12-13(16)2-5-18(17)19(20)7-3-14(20)9-11-21/h12,14,16-19,21H,2-11H2,1H3/t14-,16?,17-,18-,19+,20-/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1CSCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC4=C5C=CC(=CC5=CC(=N4)C6=CC=C(C=C6)OC(F)(F)F)OC)C(=O)NS(=O)(=O)C7CC7
InChI: InChI=1S/C42H48F3N5O10S2/c1-40(2,3)60-39(54)47-33-23-61-17-7-5-6-8-26-21-41(26,38(53)49-62(55,56)30-14-15-30)48-35(51)34-20-29(22-50(34)37(33)52)58-36-31-16-13-28(57-4)18-25(31)19-32(46-36)24-9-11-27(12-10-24)59-42(43,44)45/h6,8-13,16,18-19,26,29-30,33-34H,5,7,14-15,17,20-23H2,1-4H3,(H,47,54)(H,48,51)(H,49,53)/b8-6-/t26-,29-,33+,34+,41-/m1/s1
SMILES: CCCCCCCCC1=CC(=C(C=C1)/C=C/2\C[C@@]3([C@H](CCCC3=C(C2=O)C)O)C)C
InChI: InChI=1S/C28H40O2/c1-5-6-7-8-9-10-12-22-15-16-23(20(2)17-22)18-24-19-28(4)25(21(3)27(24)30)13-11-14-26(28)29/h15-18,26,29H,5-14,19H2,1-4H3/b24-18+/t26-,28-/m0/s1
SMILES: COC(=O)N[C@@]12CCC(=O)N[C@@]1(C3=CC=CC=C3C2)C4=CC=CC=C4
InChI: InChI=1S/C20H20N2O3/c1-25-18(24)22-19-12-11-17(23)21-20(19,15-8-3-2-4-9-15)16-10-6-5-7-14(16)13-19/h2-10H,11-13H2,1H3,(H,21,23)(H,22,24)/t19-,20-/m1/s1
SMILES: CN1C(=O)C2=C3C4=C(N=CC=C4)N(C3=C5C(=C2C1=O)C6=CC=CC=C6N5)C7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
InChI: InChI=1S/C26H22N4O7/c1-29-24(35)16-14-10-5-2-3-7-12(10)28-18(14)19-15(17(16)25(29)36)11-6-4-8-27-23(11)30(19)26-22(34)21(33)20(32)13(9-31)37-26/h2-8,13,20-22,26,28,31-34H,9H2,1H3/t13-,20-,21+,22-,26?/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(=C7)Cl)O)OC)C(=O)N(C5=O)C8=CC=C(C=C8)N9CCOCC9
InChI: InChI=1S/C44H41ClN4O7/c1-25-8-10-28(11-9-25)46-49-41(52)34-24-33-31(38(26-22-35(45)39(50)36(23-26)55-2)44(34,43(49)54)27-6-4-3-5-7-27)16-17-32-37(33)42(53)48(40(32)51)30-14-12-29(13-15-30)47-18-20-56-21-19-47/h3-16,22-23,32-34,37-38,46,50H,17-21,24H2,1-2H3/t32-,33+,34-,37-,38-,44+/m0/s1
SMILES: COC1=CC(=CC(=C1OC)OC)N2[C@]3(CCCC[C@@H]3C[C@H]4[C@@]2(CCCC4)C#N)C#N
InChI: InChI=1S/C24H31N3O3/c1-28-20-13-19(14-21(29-2)22(20)30-3)27-23(15-25)10-6-4-8-17(23)12-18-9-5-7-11-24(18,27)16-26/h13-14,17-18H,4-12H2,1-3H3/t17-,18+,23-,24-/m1/s1
SMILES: CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@H](C)OC(=O)[C@H]3C[C@@H]3C
InChI: InChI=1S/C19H22N2O3S/c1-4-13-5-7-14(8-6-13)16-10-25-19(20-16)21-17(22)12(3)24-18(23)15-9-11(15)2/h5-8,10-12,15H,4,9H2,1-3H3,(H,20,21,22)/t11-,12-,15-/m0/s1
SMILES: C[C@@]12CCC=C3[C@@H]1[C@H](COC2OC)C4=C[C@H]5CC[C@@]34CC5=C
InChI: InChI=1S/C20H26O2/c1-12-10-20-8-6-13(12)9-16(20)14-11-22-18(21-3)19(2)7-4-5-15(20)17(14)19/h5,9,13-14,17-18H,1,4,6-8,10-11H2,2-3H3/t13-,14-,17+,18?,19-,20-/m1/s1
SMILES: COC1=C(C(=CC(=C1)C=O)I)O[C@H]2C=C(C[C@H]([C@@H]2O)N(CC3=C(C=C(C=C3)Cl)Cl)C(=O)C4CC4)C(=O)NCCO
InChI: InChI=1S/C28H29Cl2IN2O7/c1-39-24-9-15(14-35)8-21(31)26(24)40-23-11-18(27(37)32-6-7-34)10-22(25(23)36)33(28(38)16-2-3-16)13-17-4-5-19(29)12-20(17)30/h4-5,8-9,11-12,14,16,22-23,25,34,36H,2-3,6-7,10,13H2,1H3,(H,32,37)/t22-,23+,25+/m1/s1
SMILES: CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)N[C@H](CNS(=O)(=O)C)C(C)(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCC3CCCO3)C
InChI: InChI=1S/C31H54F2N6O7S/c1-29(2,3)20(15-35-47(9,44)45)37-28(43)38-24(30(4,5)6)27(42)39-16-18-22(31(18,7)8)23(39)26(41)36-19(13-21(32)33)25(40)34-14-17-11-10-12-46-17/h17-24,35H,10-16H2,1-9H3,(H,34,40)(H,36,41)(H2,37,38,43)/t17?,18-,19-,20+,22-,23-,24+/m0/s1
SMILES: C[C@H](CC[C@@H](C1CO1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C
InChI: InChI=1S/C26H40O4/c1-16(6-11-23(28)25-15-30-25)21-9-10-22-18(5-4-12-26(21,22)3)7-8-19-13-20(27)14-24(29)17(19)2/h7-8,16,20-25,27-29H,2,4-6,9-15H2,1,3H3/b18-7+,19-8-/t16-,20-,21-,22+,23+,24+,25?,26-/m1/s1
SMILES: CN1CC[C@]23[C@@H]4[C@]5(C=C[C@]2([C@H]1CC6=C3C(=C(C=C6)OC)O4)N(O5)C(=O)/C=C/C7=CC=CC=C7)OC
InChI: InChI=1S/C28H28N2O5/c1-29-16-15-26-23-19-10-11-20(32-2)24(23)34-25(26)28(33-3)14-13-27(26,21(29)17-19)30(35-28)22(31)12-9-18-7-5-4-6-8-18/h4-14,21,25H,15-17H2,1-3H3/b12-9+/t21-,25-,26+,27-,28-/m1/s1
SMILES: CC1=C(N(C(=O)NC1=O)[C@@H]2[C@H]([C@@H]([C@@H](CO2)OC(=O)C)OC(=O)C)OC(=O)C)F
InChI: InChI=1S/C16H19FN2O9/c1-6-13(17)19(16(24)18-14(6)23)15-12(28-9(4)22)11(27-8(3)21)10(5-25-15)26-7(2)20/h10-12,15H,5H2,1-4H3,(H,18,23,24)/t10-,11-,12+,15+/m1/s1
SMILES: COC(=O)C1=CC(=CC(=C1)NC(=O)C[C@H]2C(=O)N[C@@H]3CCCC[C@@H]3N2)C(=O)OC
InChI: InChI=1S/C20H25N3O6/c1-28-19(26)11-7-12(20(27)29-2)9-13(8-11)21-17(24)10-16-18(25)23-15-6-4-3-5-14(15)22-16/h7-9,14-16,22H,3-6,10H2,1-2H3,(H,21,24)(H,23,25)/t14-,15+,16-/m0/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CC(=O)OCC(=O)NC3=C(C=CS3)C#N
InChI: InChI=1S/C17H15N3O5S/c18-7-10-5-6-26-15(10)19-13(21)9-25-14(22)8-20-16(23)11-3-1-2-4-12(11)17(20)24/h1-2,5-6,11-12H,3-4,8-9H2,(H,19,21)/t11-,12+
SMILES: COC1=CC=CC=C1N2C(=O)[C@@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C31H24N2O6/c1-37-25-15-9-8-14-24(25)32-29(34)26-27(33(39-28(26)30(32)35)22-12-6-3-7-13-22)20-16-18-23(19-17-20)38-31(36)21-10-4-2-5-11-21/h2-19,26-28H,1H3/t26-,27-,28+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CN2C(=O)[C@@]3(CCCC[C@@H]3C)NC2=O
InChI: InChI=1S/C18H29N3O3/c1-12-7-3-4-9-14(12)19-15(22)11-21-16(23)18(20-17(21)24)10-6-5-8-13(18)2/h12-14H,3-11H2,1-2H3,(H,19,22)(H,20,24)/t12-,13-,14-,18-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H](O[C@@H]1C2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC)C
InChI: InChI=1S/C27H28O5/c1-17-18(2)27(21-10-12-23-25(14-21)31-16-30-23)32-26(17)20-9-11-22(24(13-20)28-3)29-15-19-7-5-4-6-8-19/h4-14,17-18,26-27H,15-16H2,1-3H3/t17-,18-,26-,27-/m0/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)[C@@H]2C[C@@H]2C(=O)NN=CC3=CC=C(O3)C4=CC(=CC=C4)Br
InChI: InChI=1S/C25H25BrN2O2/c1-25(2,3)18-9-7-16(8-10-18)21-14-22(21)24(29)28-27-15-20-11-12-23(30-20)17-5-4-6-19(26)13-17/h4-13,15,21-22H,14H2,1-3H3,(H,28,29)/t21-,22-/m0/s1
SMILES: CCCC1=N[C@@H]2CCC[C@H]([C@@H]2C(=C1S(=O)(=O)C3=CC=C(C=C3)C)OS(=O)(=O)C(F)(F)F)C
InChI: InChI=1S/C21H26F3NO5S2/c1-4-6-17-20(31(26,27)15-11-9-13(2)10-12-15)19(30-32(28,29)21(22,23)24)18-14(3)7-5-8-16(18)25-17/h9-12,14,16,18H,4-8H2,1-3H3/t14-,16-,18+/m1/s1
SMILES: C[C@H]1[C@H]2[C@@]([C@@H](C(=O)O2)C)(OC1=O)C3=CC=C(C=C3)Br
InChI: InChI=1S/C14H13BrO4/c1-7-11-14(19-12(7)16,8(2)13(17)18-11)9-3-5-10(15)6-4-9/h3-8,11H,1-2H3/t7-,8+,11-,14-/m0/s1
SMILES: CCOC1=CC=C(C=C1)N2C(=O)[C@@H]3CC=C[C@@H]([C@H]3C2=O)C
InChI: InChI=1S/C17H19NO3/c1-3-21-13-9-7-12(8-10-13)18-16(19)14-6-4-5-11(2)15(14)17(18)20/h4-5,7-11,14-15H,3,6H2,1-2H3/t11-,14+,15+/m0/s1
SMILES: CC(C)(C)ON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC5=CC6=CC=CC=C6C=C5)CCCCO)CCCCO)OCC=C)N(CC7=CC=CC8=CC=CC=C87)C(=O)OC9=CC=C(C=C9)[N+](=O)[O-]
InChI: InChI=1S/C59H63N3O10/c1-5-33-68-59-54(61(38-43-20-14-19-40-16-8-9-21-48(40)43)57(65)70-45-27-24-44(25-28-45)62(66)67)37-52(60-72-58(2,3)4)50-35-42(18-10-12-31-63)49(22-11-13-32-64)55(56(50)59)51-36-47(29-30-53(51)71-59)69-46-26-23-39-15-6-7-17-41(39)34-46/h5-9,14-17,19-21,23-30,34-36,42,49,54-56,63-64H,1,10-13,18,22,31-33,37-38H2,2-4H3/t42-,49+,54-,55+,56+,59+/m0/s1
SMILES: CC1(O[C@H]2[C@H](O[C@H]3[C@@H]([C@H]2O1)OC(O3)(C)C)CS(=O)(=O)CC(=O)OC)C
InChI: InChI=1S/C15H24O9S/c1-14(2)21-10-8(6-25(17,18)7-9(16)19-5)20-13-12(11(10)22-14)23-15(3,4)24-13/h8,10-13H,6-7H2,1-5H3/t8-,10+,11+,12-,13-/m1/s1
SMILES: CC1=CC[C@H]2[C@]3([C@@H]1COC(O[C@H]3CCC2(C)C)(C)C)COS(=O)(=O)C
InChI: InChI=1S/C19H32O5S/c1-13-7-8-15-17(2,3)10-9-16-19(15,12-23-25(6,20)21)14(13)11-22-18(4,5)24-16/h7,14-16H,8-12H2,1-6H3/t14-,15-,16+,19-/m1/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)OS(=O)(=O)[O-])C(=O)[O-])C.[Na+].[Na+]
InChI: InChI=1S/C8H11NO7S2.2Na/c1-8(2)4(7(11)12)9-5(10)3(6(9)17-8)16-18(13,14)15;;/h3-4,6H,1-2H3,(H,11,12)(H,13,14,15);;/q;2*+1/p-2/t3-,4+,6-;;/m1../s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@H]3C[C@H]4[C@@H]([C@H]3C=C)CC4=O
InChI: InChI=1S/C25H30O2Si/c1-5-20-21-16-23(26)22(21)17-24(20)27-28(25(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h5-15,20-22,24H,1,16-17H2,2-4H3/t20-,21-,22+,24+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O[C@@H]2[C@@H]3[C@H]([C@H]4[C@H](O2)COC(O4)(C)C)OC(=O)N3C(=O)OCC(Cl)(Cl)Cl)C(C)C
InChI: InChI=1S/C23H34Cl3NO8/c1-11(2)13-7-6-12(3)8-14(13)32-19-16-18(17-15(33-19)9-31-22(4,5)35-17)34-21(29)27(16)20(28)30-10-23(24,25)26/h11-19H,6-10H2,1-5H3/t12-,13+,14-,15-,16+,17-,18-,19+/m1/s1
SMILES: COC(=O)C1=C([C@@H]2[C@H]1[C@@]34[C@@]2([C@H]5C[C@@H]3C=C5)C(=O)C(=C(C4=O)Br)Br)C(=O)OC
InChI: InChI=1S/C19H14Br2O6/c1-26-16(24)8-9(17(25)27-2)11-10(8)18-6-3-4-7(5-6)19(11,18)15(23)13(21)12(20)14(18)22/h3-4,6-7,10-11H,5H2,1-2H3/t6-,7+,10-,11+,18-,19+
SMILES: C1C[C@H]2[C@H]3[C@@H]([C@@H]1O2)C(=O)N(C3=O)CCCC(=O)O
InChI: InChI=1S/C12H15NO5/c14-8(15)2-1-5-13-11(16)9-6-3-4-7(18-6)10(9)12(13)17/h6-7,9-10H,1-5H2,(H,14,15)/t6-,7+,9-,10+
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)N[C@@H](C)CC(=O)NC2=CC=CC=C2OC
InChI: InChI=1S/C19H30N2O2/c1-13-8-7-10-16(15(13)3)20-14(2)12-19(22)21-17-9-5-6-11-18(17)23-4/h5-6,9,11,13-16,20H,7-8,10,12H2,1-4H3,(H,21,22)/t13-,14+,15-,16+/m1/s1
SMILES: CC1(CC2=C([C@@H]([C@H](C(=O)N2)C#N)C3=CC=CC=C3)C(=O)C1)C
InChI: InChI=1S/C18H18N2O2/c1-18(2)8-13-16(14(21)9-18)15(11-6-4-3-5-7-11)12(10-19)17(22)20-13/h3-7,12,15H,8-9H2,1-2H3,(H,20,22)/t12-,15-/m1/s1
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@H]3CC[C@@H]4N(C)C)C)O
InChI: InChI=1S/C21H37NO/c1-20-11-9-15(23)13-14(20)5-6-16-17-7-8-19(22(3)4)21(17,2)12-10-18(16)20/h14-19,23H,5-13H2,1-4H3/t14-,15-,16-,17+,18-,19-,20-,21-/m0/s1
SMILES: CCSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1C3=CC(=C(C=C3)F)Cl
InChI: InChI=1S/C13H14ClFN2O2S2/c1-2-20-13-16-11-6-21(18,19)7-12(11)17(13)8-3-4-10(15)9(14)5-8/h3-5,11-12H,2,6-7H2,1H3/t11-,12-/m0/s1
SMILES: C[C@@H](/C=C/[C@H](C)C(C)C)[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/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20-,24+,25+,26-,27-,28+/m0/s1
SMILES: C[C@@H]1[C@H]2[C@@H](CCN2C(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC=C(C=C4)C)N(C1=O)C(=O)C
InChI: InChI=1S/C21H27N3O5S/c1-13-6-8-16(9-7-13)30(28,29)23-11-4-5-18(23)21(27)22-12-10-17-19(22)14(2)20(26)24(17)15(3)25/h6-9,14,17-19H,4-5,10-12H2,1-3H3/t14-,17-,18+,19+/m1/s1
SMILES: CCOCCCN([C@@H]1CC(=C[C@@H]([C@H]1O)OC2=CC=CC=C2I)C(=O)NCCO)C(=O)C3CCCO3
InChI: InChI=1S/C25H35IN2O7/c1-2-33-13-6-11-28(25(32)21-9-5-14-34-21)19-15-17(24(31)27-10-12-29)16-22(23(19)30)35-20-8-4-3-7-18(20)26/h3-4,7-8,16,19,21-23,29-30H,2,5-6,9-15H2,1H3,(H,27,31)/t19-,21?,22+,23+/m1/s1
SMILES: CC1=CC2=C(C=C1)OC[C@H]3[C@@H]2CSC4=C3C(=O)OC(=C4)C
InChI: InChI=1S/C17H16O3S/c1-9-3-4-14-11(5-9)13-8-21-15-6-10(2)20-17(18)16(15)12(13)7-19-14/h3-6,12-13H,7-8H2,1-2H3/t12-,13+/m0/s1
SMILES: CC(=C1[C@@H]2C[C@H]([C@]1(C(=O)OC)S(=O)(=O)C3=CC=CC=C3)C=C2)C
InChI: InChI=1S/C18H20O4S/c1-12(2)16-13-9-10-14(11-13)18(16,17(19)22-3)23(20,21)15-7-5-4-6-8-15/h4-10,13-14H,11H2,1-3H3/t13-,14+,18-/m0/s1
SMILES: CCOC1=C(C=CC(=C1)[C@H]2C3=CCN4C(=O)N(C(=O)N4[C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)CBr)Cl)Cl)C)O
InChI: InChI=1S/C22H21BrCl2N4O6/c1-3-35-15-8-11(4-5-14(15)30)16-12-6-7-28-19(33)26(2)20(34)29(28)13(12)9-21(24)17(31)27(10-23)18(32)22(16,21)25/h4-6,8,13,16,30H,3,7,9-10H2,1-2H3/t13-,16+,21-,22+/m1/s1
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)C4=CC=CC(=C4)CO[N+](=O)[O-])O)CCC5=CC(=O)C=C[C@]35C)O
InChI: InChI=1S/C29H33NO9/c1-27-10-8-20(31)13-19(27)6-7-21-22-9-11-29(35,28(22,2)14-23(32)25(21)27)24(33)16-38-26(34)18-5-3-4-17(12-18)15-39-30(36)37/h3-5,8,10,12-13,21-23,25,32,35H,6-7,9,11,14-16H2,1-2H3/t21-,22-,23-,25+,27-,28-,29-/m0/s1
SMILES: CN1CC[C@@]2([C@H]1N(C3=CC=CC=C32)CC4=CC=CC=C4)[C@]56CCN([C@H]5N(C7=CC=CC=C67)CC8=CC=CC=C8)C
InChI: InChI=1S/C36H38N4/c1-37-23-21-35(29-17-9-11-19-31(29)39(33(35)37)25-27-13-5-3-6-14-27)36-22-24-38(2)34(36)40(26-28-15-7-4-8-16-28)32-20-12-10-18-30(32)36/h3-20,33-34H,21-26H2,1-2H3/t33-,34+,35-,36+
SMILES: C[C@]12CCCC(=C)[C@H]1C[C@H]3[C@@H](C2)OC(=O)[C@H]3C[NH+]4CCN(CC4)C5=CC(=CC=C5)OC
InChI: InChI=1S/C26H36N2O3/c1-18-6-5-9-26(2)16-24-21(15-23(18)26)22(25(29)31-24)17-27-10-12-28(13-11-27)19-7-4-8-20(14-19)30-3/h4,7-8,14,21-24H,1,5-6,9-13,15-17H2,2-3H3/p+1/t21-,22+,23-,24-,26-/m1/s1
SMILES: CC1=CC=CC=C1[C@@H]2[C@H]([C@H]([C@@H]2C3=CC4=C(O3)C=CC5=CC=CC=C54)C6=CC7=C(O6)C=CC8=CC=CC=C87)C9=CC=CC=C9C
InChI: InChI=1S/C42H32O2/c1-25-11-3-7-15-29(25)39-40(30-16-8-4-12-26(30)2)42(38-24-34-32-18-10-6-14-28(32)20-22-36(34)44-38)41(39)37-23-33-31-17-9-5-13-27(31)19-21-35(33)43-37/h3-24,39-42H,1-2H3/t39-,40-,41-,42-/m1/s1
SMILES: C/1C[C@H]2[C@@H](C2C(=O)NC3=CC(=C(C=C3)Cl)Cl)CC/C=C1
InChI: InChI=1S/C16H17Cl2NO/c17-13-8-7-10(9-14(13)18)19-16(20)15-11-5-3-1-2-4-6-12(11)15/h1-2,7-9,11-12,15H,3-6H2,(H,19,20)/b2-1-/t11-,12-/m0/s1
SMILES: CN1[C@H]2CC[C@@H]1[C@H](CC2)OC(=O)[C@](C3CCCCC3)(C4=CC=CS4)O
InChI: InChI=1S/C20H29NO3S/c1-21-15-9-11-16(21)17(12-10-15)24-19(22)20(23,18-8-5-13-25-18)14-6-3-2-4-7-14/h5,8,13-17,23H,2-4,6-7,9-12H2,1H3/t15-,16+,17-,20-/m0/s1
SMILES: CCCCOC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H]4C=CC5=CC=CC=C5N4[C@@H]([C@@H]3C2=O)C(=O)C6=CC=C(C=C6)Br
InChI: InChI=1S/C31H27BrN2O4/c1-2-3-18-38-23-15-13-22(14-16-23)33-30(36)26-25-17-10-19-6-4-5-7-24(19)34(25)28(27(26)31(33)37)29(35)20-8-11-21(32)12-9-20/h4-17,25-28H,2-3,18H2,1H3/t25-,26+,27-,28+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)[N+]2=CC=CC(=C2)COC(=O)C(C)(C)C)OC(=O)C)OC(=O)C)OC(=O)C.[O-]Cl(=O)(=O)=O
InChI: InChI=1S/C25H34NO11.ClHO4/c1-14(27)32-13-19-20(34-15(2)28)21(35-16(3)29)22(36-17(4)30)23(37-19)26-10-8-9-18(11-26)12-33-24(31)25(5,6)7;2-1(3,4)5/h8-11,19-23H,12-13H2,1-7H3;(H,2,3,4,5)/q+1;/p-1/t19-,20-,21+,22-,23+;/m1./s1
SMILES: CC1(COC2(CCC(CC2)(C3(C[C@@H]4[C@@H]5C[C@H]([C@@H]4C3)C=C5)C(=O)O)O)OC1)C
InChI: InChI=1S/C22H32O5/c1-19(2)12-26-22(27-13-19)7-5-21(25,6-8-22)20(18(23)24)10-16-14-3-4-15(9-14)17(16)11-20/h3-4,14-17,25H,5-13H2,1-2H3,(H,23,24)/t14-,15+,16+,17-,20?
SMILES: C1CCN(CC1)C2=NC3=C(C(=N2)N4CCN(CC4)C5=CC=CC=C5)N=CN3[C@@H]6[C@H]([C@H]([C@@H](O6)CO)O)O
InChI: InChI=1S/C25H33N7O4/c33-15-18-20(34)21(35)24(36-18)32-16-26-19-22(27-25(28-23(19)32)31-9-5-2-6-10-31)30-13-11-29(12-14-30)17-7-3-1-4-8-17/h1,3-4,7-8,16,18,20-21,24,33-35H,2,5-6,9-15H2/t18-,20-,21-,24-/m0/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)CNS(=O)(=O)C4=CC=CC=C4)CSC5=C(C=CC=N5)C(=O)O
InChI: InChI=1S/C32H32N2O7S2/c1-21-28(20-42-30-27(31(36)37)8-5-17-33-30)40-32(41-29(21)24-13-11-23(19-35)12-14-24)25-15-9-22(10-16-25)18-34-43(38,39)26-6-3-2-4-7-26/h2-17,21,28-29,32,34-35H,18-20H2,1H3,(H,36,37)/t21-,28+,29+,32+/m1/s1
SMILES: CC1=C(C=CC2=C1N[C@H]([C@@H]3[C@@H]2C=CC3)C4=CC=CC=C4Br)C(=O)OC
InChI: InChI=1S/C21H20BrNO2/c1-12-13(21(24)25-2)10-11-16-14-7-5-8-15(14)20(23-19(12)16)17-6-3-4-9-18(17)22/h3-7,9-11,14-15,20,23H,8H2,1-2H3/t14-,15-,20+/m0/s1
SMILES: C[C@H](/C=C/CC1CO[C@H]([C@@H]([C@@H]1O)O)C(/C(=C/C(=O)OCCCCCCCC(=O)NC2=C3C(=CSS3)NC2=O)/C)O)[C@H](C)O
InChI: InChI=1S/C30H44N2O9S2/c1-17(19(3)33)10-9-11-20-15-41-28(27(38)26(20)37)25(36)18(2)14-23(35)40-13-8-6-4-5-7-12-22(34)32-24-29-21(16-42-43-29)31-30(24)39/h9-10,14,16-17,19-20,25-28,33,36-38H,4-8,11-13,15H2,1-3H3,(H,31,39)(H,32,34)/b10-9+,18-14+/t17-,19+,20?,25?,26-,27-,28+/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC(=O)C)Br)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C20H41BrO5Si2/c1-13-16(25-27(9,10)19(3,4)5)17(26-28(11,12)20(6,7)8)15(21)18(23-13)24-14(2)22/h13,15-18H,1-12H3/t13-,15+,16-,17-,18-/m0/s1
SMILES: C[C@H]1[C@H]([C@H]2CCC[C@]2(O1)CS(=N[C@@H](CO[Si](C)(C)C(C)(C)C)C(C)C)(=O)C3=CC=C(C=C3)C)O
InChI: InChI=1S/C27H47NO4SSi/c1-19(2)24(17-31-34(8,9)26(5,6)7)28-33(30,22-14-12-20(3)13-15-22)18-27-16-10-11-23(27)25(29)21(4)32-27/h12-15,19,21,23-25,29H,10-11,16-18H2,1-9H3/t21-,23+,24-,25+,27-,33?/m0/s1
SMILES: C[C@@H]1[C@@H](C(=O)O1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C
InChI: InChI=1S/C18H24N2O5/c1-11-14(16(22)24-11)20-15(21)13(10-12-8-6-5-7-9-12)19-17(23)25-18(2,3)4/h5-9,11,13-14H,10H2,1-4H3,(H,19,23)(H,20,21)/t11-,13+,14+/m1/s1
SMILES: CCCCCCCCCCCCCC[C@H]1[C@H]([C@H](C(=O)O1)N=[N+]=[N-])O
InChI: InChI=1S/C18H33N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(22)16(20-21-19)18(23)24-15/h15-17,22H,2-14H2,1H3/t15-,16+,17+/m0/s1
SMILES: CC1=C(C=C(C=C1)NC(=O)[C@@H]2CC(=O)NC3=CCCC(=O)[C@@H]23)Cl
InChI: InChI=1S/C17H17ClN2O3/c1-9-5-6-10(7-12(9)18)19-17(23)11-8-15(22)20-13-3-2-4-14(21)16(11)13/h3,5-7,11,16H,2,4,8H2,1H3,(H,19,23)(H,20,22)/t11-,16+/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)OC
InChI: InChI=1S/C29H25N3O5S/c1-18-8-10-19(11-9-18)25-23(16-30)28(32-27(34)26(25)29(35)36-2)38-17-24(33)31-20-12-14-22(15-13-20)37-21-6-4-3-5-7-21/h3-15,25-26H,17H2,1-2H3,(H,31,33)(H,32,34)/t25-,26-/m0/s1
SMILES: CC1(CCC2(C(C1)C3=CCC4C5(CCCC(C5CCC4(C3(CC2O)C)C)(C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C
InChI: InChI=1S/C41H66O14/c1-36(2)14-15-41(35(51)54-33-31(49)29(47)27(45)22(18-42)52-33)21(16-36)20-8-9-24-37(3)11-7-12-40(6,55-34-32(50)30(48)28(46)23(19-43)53-34)25(37)10-13-38(24,4)39(20,5)17-26(41)44/h8,21-34,42-50H,7,9-19H2,1-6H3/t21?,22-,23-,24?,25?,26?,27-,28-,29+,30+,31-,32-,33+,34+,37?,38?,39?,40?,41?/m1/s1
SMILES: CC(C)([C@H]1[C@@H](C(=O)OC2=C1C=C(C=C2)Br)C(=O)C3=CC=CO3)C(=O)OC
InChI: InChI=1S/C19H17BrO6/c1-19(2,18(23)24-3)15-11-9-10(20)6-7-12(11)26-17(22)14(15)16(21)13-5-4-8-25-13/h4-9,14-15H,1-3H3/t14-,15-/m1/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O)C5=CN(C6=CC=CC=C65)C(=O)C)CCOCCOCCO
InChI: InChI=1S/C36H44N4O8/c1-3-47-35-27(14-18-45-20-21-46-19-17-41)28(29-23-39(24(2)42)31-10-6-4-8-26(29)31)22-33(48-35)34(43)38-15-12-25(13-16-38)40-32-11-7-5-9-30(32)37-36(40)44/h4-11,22-23,25,27-28,35,41H,3,12-21H2,1-2H3,(H,37,44)/t27-,28-,35+/m1/s1
SMILES: CC[Si](CC)(CC)O[C@H](C)[C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)OC)CI
InChI: InChI=1S/C24H34INO5Si/c1-6-32(7-2,8-3)31-16(4)21-20-13-18(14-25)22(26(20)23(21)27)24(28)30-15-17-9-11-19(29-5)12-10-17/h9-12,16,20-21H,6-8,13-15H2,1-5H3/t16-,20-,21-/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)N[C@H](C(=O)N2)CC(=O)N3CCC4=CC=CC=C43
InChI: InChI=1S/C18H23N3O2/c22-17(21-10-9-12-5-1-4-8-16(12)21)11-15-18(23)20-14-7-3-2-6-13(14)19-15/h1,4-5,8,13-15,19H,2-3,6-7,9-11H2,(H,20,23)/t13-,14-,15+/m1/s1
SMILES: C[C@H](CCCC(=O)C)[C@H]1[C@H]2C(C[C@H](O1)[C@]3(CCC(=O)O3)C)C4(CC4)C(=O)O2
InChI: InChI=1S/C21H30O6/c1-12(5-4-6-13(2)22)17-18-14(21(9-10-21)19(24)26-18)11-15(25-17)20(3)8-7-16(23)27-20/h12,14-15,17-18H,4-11H2,1-3H3/t12-,14?,15+,17+,18-,20-/m1/s1
SMILES: C1C[C@@H]2C[C@H]1[C@H]([C@@H]2Br)SC3=CC=CC=C3[N+](=O)[O-]
InChI: InChI=1S/C13H14BrNO2S/c14-12-8-5-6-9(7-8)13(12)18-11-4-2-1-3-10(11)15(16)17/h1-4,8-9,12-13H,5-7H2/t8-,9+,12-,13-/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4
InChI: InChI=1S/C21H25N3O2S/c25-20-15-5-1-2-6-16(15)21(26)24(20)13-23-11-9-14(10-12-23)19-22-17-7-3-4-8-18(17)27-19/h3-4,7-8,14-16H,1-2,5-6,9-13H2/p+1/t15-,16-/m1/s1
SMILES: CCOC(=O)[C@H]1C[C@@H]1CN(C2CCCCC2)C(=O)C3=NN(C(=C3)C)C
InChI: InChI=1S/C19H29N3O3/c1-4-25-19(24)16-11-14(16)12-22(15-8-6-5-7-9-15)18(23)17-10-13(2)21(3)20-17/h10,14-16H,4-9,11-12H2,1-3H3/t14-,16+/m1/s1
SMILES: C[C@H]1[C@@H](C(=O)N1S(=O)(=O)O)NC(=O)/C(=N\OC(C)(C)C(=O)NN)/C2=CSC(=N2)N
InChI: InChI=1S/C13H19N7O7S2/c1-5-7(10(22)20(5)29(24,25)26)17-9(21)8(6-4-28-12(14)16-6)19-27-13(2,3)11(23)18-15/h4-5,7H,15H2,1-3H3,(H2,14,16)(H,17,21)(H,18,23)(H,24,25,26)/b19-8-/t5-,7-/m0/s1
SMILES: CCCCCC[C@H](C(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCC)O)O)O
InChI: InChI=1S/C23H45NO10/c1-3-5-7-9-11-16(27)22(32)24-14(18(28)15(26)10-8-6-4-2)13-33-23-21(31)20(30)19(29)17(12-25)34-23/h14-21,23,25-31H,3-13H2,1-2H3,(H,24,32)/t14-,15+,16+,17+,18-,19-,20-,21+,23-/m0/s1
SMILES: C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)COP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)C(=O)OCC=C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C30H38NO8PSSi/c1-8-19-35-29(33)26-24(41-28-25(27(32)31(26)28)21(2)39-42(6,7)30(3,4)5)20-36-40(34,37-22-15-11-9-12-16-22)38-23-17-13-10-14-18-23/h8-18,21,25,28H,1,19-20H2,2-7H3/t21-,25+,28-/m1/s1