EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CS(=O)(=O)N1[C@@H]2[C@@H](CC3=CC=CC=C23)C4=CC=CC=C41
InChI: InChI=1S/C16H15NO2S/c1-20(18,19)17-15-9-5-4-8-13(15)14-10-11-6-2-3-7-12(11)16(14)17/h2-9,14,16H,10H2,1H3/t14-,16-/m0/s1
SMILES: CC(=O)O[C@H]1C[C@](OC(=C1SC2=CC=CC=C2)[C@H]3[C@H](OC(O3)(C)C)CO[Si](C)(C)C(C)(C)C)(C(=O)OC)OC
InChI: InChI=1S/C28H42O9SSi/c1-18(29)34-20-16-28(32-8,25(30)31-7)37-23(24(20)38-19-14-12-11-13-15-19)22-21(35-27(5,6)36-22)17-33-39(9,10)26(2,3)4/h11-15,20-22H,16-17H2,1-10H3/t20-,21+,22+,28-/m0/s1
SMILES: C1CN(CCC1C2=CC=CC=C2)[C@@H]3CC4=C(C[C@H]3O)C=C(C=C4)I
InChI: InChI=1S/C21H24INO/c22-19-7-6-17-13-20(21(24)14-18(17)12-19)23-10-8-16(9-11-23)15-4-2-1-3-5-15/h1-7,12,16,20-21,24H,8-11,13-14H2/t20-,21-/m1/s1
SMILES: CC1=C[C@@H]2[C@](CC1)([C@]3(CC[C@H](C3=C)O2)C)CCOC(=O)C(C)(C)C
InChI: InChI=1S/C21H32O3/c1-14-7-10-21(11-12-23-18(22)19(3,4)5)17(13-14)24-16-8-9-20(21,6)15(16)2/h13,16-17H,2,7-12H2,1,3-6H3/t16-,17-,20+,21-/m1/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)NC(=O)CNC(=O)CN(C)C)O.Cl
InChI: InChI=1S/C33H39N3O12.ClH/c1-14-28(40)18(35-21(38)12-34-22(39)13-36(3)4)9-23(47-14)48-20-11-33(45,15(2)37)10-17-25(20)32(44)27-26(30(17)42)29(41)16-7-6-8-19(46-5)24(16)31(27)43;/h6-8,14,18,20,23,28,40,42,44-45H,9-13H2,1-5H3,(H,34,39)(H,35,38);1H/t14-,18-,20-,23-,28+,33-;/m0./s1
SMILES: C=CCN1CC[C@]23[C@@H]4C(=O)C=C[C@]2([C@H]1C(=O)C5=C3C(=C(C=C5)O)O4)O
InChI: InChI=1S/C19H17NO5/c1-2-8-20-9-7-18-13-10-3-4-11(21)15(13)25-17(18)12(22)5-6-19(18,24)16(20)14(10)23/h2-6,16-17,21,24H,1,7-9H2/t16-,17+,18+,19-/m1/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3(C2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)C=C(C=C8)N=C(N)NC#N
InChI: InChI=1S/C28H28N6O3/c29-13-31-26(30)32-16-4-5-17-18-11-28(36)21-9-15-3-6-20(35)24-22(15)27(28,7-8-34(21)12-14-1-2-14)25(37-24)23(18)33-19(17)10-16/h3-6,10,14,21,25,33,35-36H,1-2,7-9,11-12H2,(H3,30,31,32)/t21?,25-,27-,28+/m0/s1
SMILES: CC(=C(CCC#C[Si](C)(C)C)C(=O)O[C@H]1[C@H](O[C@H]2[C@@H]1OC(O2)(C)C)[C@@H]3COC(O3)(C)C)C
InChI: InChI=1S/C24H38O7Si/c1-15(2)16(12-10-11-13-32(7,8)9)21(25)27-19-18(17-14-26-23(3,4)29-17)28-22-20(19)30-24(5,6)31-22/h17-20,22H,10,12,14H2,1-9H3/t17-,18+,19-,20+,22+/m0/s1
SMILES: COC1=CC(=C(C=C1)OC)[C@H]2[C@@H](N3[C@@H](C24C(=O)C5=CC=CC=C5C4=O)C=CC6=CC=CC=C63)C(=O)C7=CC=CC=C7F
InChI: InChI=1S/C35H26FNO5/c1-41-21-16-17-28(42-2)25(19-21)30-31(32(38)24-12-6-7-13-26(24)36)37-27-14-8-3-9-20(27)15-18-29(37)35(30)33(39)22-10-4-5-11-23(22)34(35)40/h3-19,29-31H,1-2H3/t29-,30+,31-/m1/s1
SMILES: CC(C)[C@H]1[C@H]2C[C@@H]([C@@H]([C@@H]2C3=C(N1)C(=CC=C3)C(=O)[O-])Cl)SC4=CC=CC=C4[N+](=O)[O-]
InChI: InChI=1S/C22H23ClN2O4S/c1-11(2)20-14-10-17(30-16-9-4-3-8-15(16)25(28)29)19(23)18(14)12-6-5-7-13(22(26)27)21(12)24-20/h3-9,11,14,17-20,24H,10H2,1-2H3,(H,26,27)/p-1/t14-,17-,18+,19-,20-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H](O[C@H]2OC)C)O)O)O)O
InChI: InChI=1S/C13H24O8/c1-5-9(15)7(14)4-8(19-5)21-12-11(17)10(16)6(2)20-13(12)18-3/h5-17H,4H2,1-3H3/t5-,6-,7-,8-,9-,10-,11+,12+,13+/m0/s1
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)[C@@H]3[C@H]4[C@@H]([C@@H]5N3C=CC6=CC=CC=C56)C(=O)N(C4=O)C7=CC=CC(=C7)C(F)(F)F
InChI: InChI=1S/C35H25F3N2O4/c36-35(37,38)24-15-9-16-25(20-24)40-32(41)27-28(33(40)42)30(39-19-18-21-10-7-8-17-26(21)29(27)39)34(43)44-31(22-11-3-1-4-12-22)23-13-5-2-6-14-23/h1-20,27-31H/t27-,28+,29+,30-/m0/s1
SMILES: CCC(CC[C@@H](C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CCC(C4)Cl)C)C)C(C)C
InChI: InChI=1S/C29H49Cl/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27H,7-9,11-18H2,1-6H3/t20-,21?,23?,24?,25-,26?,27?,28+,29-/m1/s1
SMILES: C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)SCF)C[C@@H](C5=CC(=O)C=C[C@@]53C)F)F)O
InChI: InChI=1S/C24H29F3O5S/c1-20(2)31-18-9-13-14-8-16(26)15-7-12(28)5-6-21(15,3)23(14,27)17(29)10-22(13,4)24(18,32-20)19(30)33-11-25/h5-7,13-14,16-18,29H,8-11H2,1-4H3/t13-,14-,16-,17-,18+,21-,22-,23-,24-/m0/s1
SMILES: CN(C1CCCCC1)C(=O)COC(=O)[C@@H]2C[C@H]3C[C@@H]2C=C3
InChI: InChI=1S/C17H25NO3/c1-18(14-5-3-2-4-6-14)16(19)11-21-17(20)15-10-12-7-8-13(15)9-12/h7-8,12-15H,2-6,9-11H2,1H3/t12-,13+,15-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CN2CCN(CC2)C(=O)C3=CC=CC=C3Cl
InChI: InChI=1S/C20H28ClN3O2/c1-15-6-2-5-9-18(15)22-19(25)14-23-10-12-24(13-11-23)20(26)16-7-3-4-8-17(16)21/h3-4,7-8,15,18H,2,5-6,9-14H2,1H3,(H,22,25)/t15-,18-/m0/s1
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O)O)O)O
InChI: InChI=1S/C12H22O12/c13-1-4-6(16)8(18)10(20)12(24-4)23-2-3(14)5(15)7(17)9(19)11(21)22/h3-10,12-20H,1-2H2,(H,21,22)/t3-,4-,5-,6+,7+,8+,9-,10-,12+/m1/s1
SMILES: CC(=O)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)C)C2(OC)OC
InChI: InChI=1S/C13H18O4/c1-7(14)11-9-5-6-10(12(11)8(2)15)13(9,16-3)17-4/h5-6,9-12H,1-4H3/t9-,10+,11-,12-/m1/s1
SMILES: COC1=CC=C(C=C1)C2=NC(=NC=C2)N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4NC(=O)CC5(CCCC5)CC(=O)O
InChI: InChI=1S/C26H32N4O6/c1-34-17-6-4-16(5-7-17)18-8-11-27-25(29-18)30-20-15-36-23-19(14-35-24(20)23)28-21(31)12-26(13-22(32)33)9-2-3-10-26/h4-8,11,19-20,23-24H,2-3,9-10,12-15H2,1H3,(H,28,31)(H,32,33)(H,27,29,30)/t19-,20-,23+,24+/m0/s1
SMILES: C1C(=O)[C@@H]2[C@@H]([C@H]([C@H](O1)O2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C20H20O5/c21-16-13-24-20-19(23-12-15-9-5-2-6-10-15)18(17(16)25-20)22-11-14-7-3-1-4-8-14/h1-10,17-20H,11-13H2/t17-,18+,19-,20-/m1/s1
SMILES: CC1CCCC(C12OOC3(CC[C@]4([C@@H](C3)C[C@H]([C@@H]5[C@@H]4C[C@@H]([C@]6([C@H]5CC[C@@H]6[C@H](C)CCC(=O)OC)C)OC(=O)C)OC(=O)C)C)OO2)C
InChI: InChI=1S/C37H58O10/c1-21(12-15-32(40)41-8)27-13-14-28-33-29(19-31(35(27,28)7)43-25(5)39)34(6)16-17-36(20-26(34)18-30(33)42-24(4)38)44-46-37(47-45-36)22(2)10-9-11-23(37)3/h21-23,26-31,33H,9-20H2,1-8H3/t21-,22?,23?,26-,27-,28+,29+,30-,31+,33+,34+,35-,36?,37?/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)N([C@@H]2CCOC(C2)(C)C)C(=O)[C@H]3[C@H]4C[C@@H]([C@H]3C(=O)[O-])C=C4
InChI: InChI=1S/C24H31NO4/c1-15(16-7-5-4-6-8-16)25(19-11-12-29-24(2,3)14-19)22(26)20-17-9-10-18(13-17)21(20)23(27)28/h4-10,15,17-21H,11-14H2,1-3H3,(H,27,28)/p-1/t15-,17-,18+,19-,20+,21-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]2[C@H](C(=O)N2C(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)C(=O)C)C(C)C
InChI: InChI=1S/C31H39NO6/c1-18(2)25-16-7-19(3)17-26(25)38-31(35)29-27(20(4)33)30(34)32(29)28(21-8-12-23(36-5)13-9-21)22-10-14-24(37-6)15-11-22/h8-15,18-19,25-29H,7,16-17H2,1-6H3/t19-,25+,26-,27-,29+/m1/s1
SMILES: CC1=CC=C(C=C1)N(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)S(=O)(=O)C4=CC=C(C=C4)F
InChI: InChI=1S/C22H25FN2O3S/c1-15-2-8-19(9-3-15)25(29(27,28)20-10-6-18(23)7-11-20)14-22(26)24-21-13-16-4-5-17(21)12-16/h2-3,6-11,16-17,21H,4-5,12-14H2,1H3,(H,24,26)/t16-,17+,21-/m0/s1
SMILES: C[C@]12C[C@@H]3[C@H]4[C@H]([C@]1(CC[C@@H]2C5=COC(=O)C=C5)O)CC[C@]6([C@@]4(CC[C@@H](C6)O)[C@H](O3)OC)O
InChI: InChI=1S/C25H34O7/c1-22-12-18-20-17(25(22,29)10-7-16(22)14-3-4-19(27)31-13-14)6-8-23(28)11-15(26)5-9-24(20,23)21(30-2)32-18/h3-4,13,15-18,20-21,26,28-29H,5-12H2,1-2H3/t15-,16+,17+,18+,20+,21-,22+,23-,24+,25-/m0/s1
SMILES: CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](/C=C(/C(=O)O1)\C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)NC/C=C/C4=CC=C(C=C4)[N+](=O)[O-])C
InChI: InChI=1S/C40H60N4O11/c1-12-31-40(8)34(43(38(48)55-40)41-19-13-14-28-15-17-29(18-16-28)44(49)50)27(6)32(45)25(4)22-39(7,51-11)35(23(2)20-24(3)36(47)53-31)54-37-33(46)30(42(9)10)21-26(5)52-37/h13-18,20,23,25-27,30-31,33-35,37,41,46H,12,19,21-22H2,1-11H3/b14-13+,24-20+/t23-,25+,26+,27-,30-,31+,33+,34+,35+,37-,39+,40+/m0/s1
SMILES: CC1([C@@H]2[C@H]1[C@H]3C(=O)N[C@H](CCCCCCCCC[C@H](C(=O)N3C2)NC(=O)NC4(CCCCC4)CS(=O)(=O)C(C)(C)C)C(=O)C(=O)N)C
InChI: InChI=1S/C34H57N5O7S/c1-32(2,3)47(45,46)21-34(18-14-11-15-19-34)38-31(44)37-24-17-13-10-8-6-7-9-12-16-23(27(40)28(35)41)36-29(42)26-25-22(33(25,4)5)20-39(26)30(24)43/h22-26H,6-21H2,1-5H3,(H2,35,41)(H,36,42)(H2,37,38,44)/t22-,23+,24+,25-,26-/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)SC2=NN=C(O2)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C19H24ClN3O2S/c1-11-5-4-6-16(12(11)2)21-17(24)13(3)26-19-23-22-18(25-19)14-7-9-15(20)10-8-14/h7-13,16H,4-6H2,1-3H3,(H,21,24)/t11-,12-,13-,16-/m1/s1
SMILES: C[C@]1([C@H]2[C@@H]([C@@H]([NH2+]1)C3=CC=CC=C3F)C(=O)N(C2=O)C)C(=O)OC
InChI: InChI=1S/C16H17FN2O4/c1-16(15(22)23-3)11-10(13(20)19(2)14(11)21)12(18-16)8-6-4-5-7-9(8)17/h4-7,10-12,18H,1-3H3/p+1/t10-,11-,12-,16-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1[NH2+]CC2=CC(=O)OC3=C2C=CC(=C3)OC
InChI: InChI=1S/C18H23NO3/c1-12-5-3-4-6-16(12)19-11-13-9-18(20)22-17-10-14(21-2)7-8-15(13)17/h7-10,12,16,19H,3-6,11H2,1-2H3/p+1/t12-,16+/m1/s1
SMILES: C[Si](C)([C@H]1C[C@@H](C(=C)[C@@H]1CO)N2C=NC3C2=NC(=NC3=O)N)O
InChI: InChI=1S/C14H21N5O3Si/c1-7-8(5-20)10(23(2,3)22)4-9(7)19-6-16-11-12(19)17-14(15)18-13(11)21/h6,8-11,20,22H,1,4-5H2,2-3H3,(H2,15,18,21)/t8-,9-,10-,11?/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=C(C=C(C=C5OC)OC)O)C(=O)N(C4=O)C6=CC=CC=C6
InChI: InChI=1S/C31H27NO7/c1-15-11-22(33)26-21(29(15)35)14-20-18(27(26)28-23(34)12-17(38-2)13-24(28)39-3)9-10-19-25(20)31(37)32(30(19)36)16-7-5-4-6-8-16/h4-9,11-13,19-20,25,27,34H,10,14H2,1-3H3/t19-,20+,25-,27-/m0/s1
SMILES: CCN(CC)C1=CC=C(C=C1)[C@@H]2[C@@H]3CCCC[C@]3(CC[NH+]2CC(=O)NCC4=CC=CO4)O
InChI: InChI=1S/C26H37N3O3/c1-3-28(4-2)21-12-10-20(11-13-21)25-23-9-5-6-14-26(23,31)15-16-29(25)19-24(30)27-18-22-8-7-17-32-22/h7-8,10-13,17,23,25,31H,3-6,9,14-16,18-19H2,1-2H3,(H,27,30)/p+1/t23-,25+,26+/m0/s1
SMILES: C[C@]12CCC3=C([C@@H]1CCC24OCCO4)COC5=C3C=CC(=C5)OC
InChI: InChI=1S/C20H24O4/c1-19-7-5-14-15-4-3-13(21-2)11-18(15)22-12-16(14)17(19)6-8-20(19)23-9-10-24-20/h3-4,11,17H,5-10,12H2,1-2H3/t17-,19-/m0/s1
SMILES: CCOC1=CC=C(C=C1)N2C(=O)[C@@H]3CC(=C(C[C@@H]3C2=O)C)C
InChI: InChI=1S/C18H21NO3/c1-4-22-14-7-5-13(6-8-14)19-17(20)15-9-11(2)12(3)10-16(15)18(19)21/h5-8,15-16H,4,9-10H2,1-3H3/t15-,16+
SMILES: CCC1=C(SC(=C1C(=O)OCC)NC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C
InChI: InChI=1S/C20H24N2O5S/c1-4-12-11(3)28-17(16(12)20(26)27-5-2)21-15(23)10-22-18(24)13-8-6-7-9-14(13)19(22)25/h6-7,13-14H,4-5,8-10H2,1-3H3,(H,21,23)/t13-,14+
SMILES: C[C@@H]1CCCC[C@@H]1NC(=S)N[C@@H](C2=CC=C(C=C2)Cl)C3=NC=CN3C
InChI: InChI=1S/C19H25ClN4S/c1-13-5-3-4-6-16(13)22-19(25)23-17(18-21-11-12-24(18)2)14-7-9-15(20)10-8-14/h7-13,16-17H,3-6H2,1-2H3,(H2,22,23,25)/t13-,16+,17+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CC=C)N2C(=O)C3=CC=CC=C3C2=O)OC(=O)C)OC(=O)C
InChI: InChI=1S/C23H25NO9/c1-5-8-17-19(24-22(28)15-9-6-7-10-16(15)23(24)29)21(32-14(4)27)20(31-13(3)26)18(33-17)11-30-12(2)25/h5-7,9-10,17-21H,1,8,11H2,2-4H3/t17-,18+,19-,20+,21+/m0/s1
SMILES: B1(O[C@@H]([C@H](O1)C2CCCCC2)C3CCCCC3)C[C@H](C)C(=C)CC
InChI: InChI=1S/C21H37BO2/c1-4-16(2)17(3)15-22-23-20(18-11-7-5-8-12-18)21(24-22)19-13-9-6-10-14-19/h17-21H,2,4-15H2,1,3H3/t17-,20+,21+/m0/s1
SMILES: CC[C@@H](CO)NCCN[C@@H](CC)CO.C1C[C@H]2CN(C[C@H]2NC1)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5CC5)F
InChI: InChI=1S/C20H21ClFN3O3.C10H24N2O2/c21-16-17-12(19(26)13(20(27)28)8-25(17)11-3-4-11)6-14(22)18(16)24-7-10-2-1-5-23-15(10)9-24;1-3-9(7-13)11-5-6-12-10(4-2)8-14/h6,8,10-11,15,23H,1-5,7,9H2,(H,27,28);9-14H,3-8H2,1-2H3/t10-,15+;9-,10-/m00/s1
SMILES: CC(=O)N[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO)CC(C2=CC=C(C=C2)OC)O
InChI: InChI=1S/C17H25NO7/c1-9(20)18-15-13(25-14(8-19)16(22)17(15)23)7-12(21)10-3-5-11(24-2)6-4-10/h3-6,12-17,19,21-23H,7-8H2,1-2H3,(H,18,20)/t12?,13-,14+,15-,16+,17+/m0/s1
SMILES: CC(=O)OC[C@H]1C[C@H](C[C@@H]1OC(=O)C)N2C=NC3=C2N=C(N=C3Cl)N
InChI: InChI=1S/C15H18ClN5O4/c1-7(22)24-5-9-3-10(4-11(9)25-8(2)23)21-6-18-12-13(16)19-15(17)20-14(12)21/h6,9-11H,3-5H2,1-2H3,(H2,17,19,20)/t9-,10-,11+/m1/s1
SMILES: C[C@@]12CC[C@@H]([C@@H]([C@H]1COCC3=CC=CC=C3)CC=C2)OCC4=CC=CC=C4
InChI: InChI=1S/C25H30O2/c1-25-15-8-13-22(23(25)19-26-17-20-9-4-2-5-10-20)24(14-16-25)27-18-21-11-6-3-7-12-21/h2-12,15,22-24H,13-14,16-19H2,1H3/t22-,23-,24+,25-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CC(=C(C1=O)Br)C(=O)OC)O
InChI: InChI=1S/C14H23BrO5Si/c1-14(2,3)21(5,6)20-12-9(16)7-8(13(18)19-4)10(15)11(12)17/h9,12,16H,7H2,1-6H3/t9-,12+/m1/s1
SMILES: C[C@@H](C(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)F)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C20H19FN4O3S2/c1-11(25-17(27)14-4-2-3-5-15(14)18(25)28)16(26)22-19-23-24-20(30-19)29-10-12-6-8-13(21)9-7-12/h2-3,6-9,11,14-15H,4-5,10H2,1H3,(H,22,23,26)/t11-,14-,15-/m0/s1
SMILES: CC(C)OCCCN([C@@H]1CC(=C[C@@H]([C@H]1O)OC2=CC=CC=C2I)C(=O)NCCO)C(=O)CC3CC4CCC3C4
InChI: InChI=1S/C30H43IN2O6/c1-19(2)38-13-5-11-33(28(35)18-22-15-20-8-9-21(22)14-20)25-16-23(30(37)32-10-12-34)17-27(29(25)36)39-26-7-4-3-6-24(26)31/h3-4,6-7,17,19-22,25,27,29,34,36H,5,8-16,18H2,1-2H3,(H,32,37)/t20?,21?,22?,25-,27+,29+/m1/s1
SMILES: CCC1=C(SC(=C1C(=O)OC)NC(=O)[C@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)[O-])C=C3)C
InChI: InChI=1S/C19H23NO5S/c1-4-12-9(2)26-17(15(12)19(24)25-3)20-16(21)13-10-5-7-11(8-6-10)14(13)18(22)23/h5,7,10-11,13-14H,4,6,8H2,1-3H3,(H,20,21)(H,22,23)/p-1/t10-,11+,13+,14+/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNC(=O)CCCCCNC(=O)C)CN(C)[C@H](C)C4=CC5=CC=CC=C5C=C4
InChI: InChI=1S/C41H51N3O5/c1-28-38(26-44(4)29(2)36-22-21-33-10-7-8-11-37(33)24-36)48-41(49-40(28)34-17-15-32(27-45)16-18-34)35-19-13-31(14-20-35)25-43-39(47)12-6-5-9-23-42-30(3)46/h7-8,10-11,13-22,24,28-29,38,40-41,45H,5-6,9,12,23,25-27H2,1-4H3,(H,42,46)(H,43,47)/t28-,29+,38+,40+,41+/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C[NH+]3CC[NH+](CC3)CC4=CC(=CC=C4)C(F)(F)F
InChI: InChI=1S/C21H26F3N3O2/c22-21(23,24)16-5-3-4-15(12-16)13-25-8-10-26(11-9-25)14-27-19(28)17-6-1-2-7-18(17)20(27)29/h3-5,12,17-18H,1-2,6-11,13-14H2/p+2/t17-,18+
SMILES: CC[Si](CC)(CC)O[C@H]1C[C@@H]2[C@H]([C@H](C[C@H](O2)CCCOCC3=CC=CC=C3)OCC4=CC=CC=C4)O[C@]1(C)COS(=O)(=O)C(F)(F)F
InChI: InChI=1S/C34H49F3O8SSi/c1-5-47(6-2,7-3)45-31-22-30-32(44-33(31,4)25-42-46(38,39)34(35,36)37)29(41-24-27-17-12-9-13-18-27)21-28(43-30)19-14-20-40-23-26-15-10-8-11-16-26/h8-13,15-18,28-32H,5-7,14,19-25H2,1-4H3/t28-,29+,30-,31+,32+,33-/m1/s1
SMILES: CC(C)C1=CC(=O)C2=C(C1=O)CC[C@@H]3[C@@]2(CCC[C@]3(C)CO)C
InChI: InChI=1S/C20H28O3/c1-12(2)14-10-15(22)17-13(18(14)23)6-7-16-19(3,11-21)8-5-9-20(16,17)4/h10,12,16,21H,5-9,11H2,1-4H3/t16-,19+,20-/m0/s1
SMILES: COC(=O)[C@@H]1[C@H](C2=C(NC1=C)NC(=S)NC2=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C16H14N4O5S/c1-7-10(15(22)25-2)11(8-3-5-9(6-4-8)20(23)24)12-13(17-7)18-16(26)19-14(12)21/h3-6,10-11H,1H2,2H3,(H3,17,18,19,21,26)/t10-,11+/m0/s1
SMILES: C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O.CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C
InChI: InChI=1S/C24H32O4S.C9H15NO3S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24;1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h12,17-19,21H,4-11,13H2,1-3H3;6-7,14H,2-5H2,1H3,(H,12,13)/t17-,18-,19+,21+,22-,23-,24+;6-,7+/m01/s1
SMILES: CC1=C(C=CC(=C1)OC)CCN2CC[C@]34CCCC[C@H]3[C@H]2CC5=C4C=C(C=C5)O.Cl
InChI: InChI=1S/C26H33NO2.ClH/c1-18-15-22(29-2)9-7-19(18)10-13-27-14-12-26-11-4-3-5-23(26)25(27)16-20-6-8-21(28)17-24(20)26;/h6-9,15,17,23,25,28H,3-5,10-14,16H2,1-2H3;1H/t23-,25+,26+;/m0./s1
SMILES: CCOCC1=C(C=CC(=C1)C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)OC
InChI: InChI=1S/C20H29NO5/c1-4-25-12-16-11-15(9-10-18(16)24-3)20(23)26-13-19(22)21-17-8-6-5-7-14(17)2/h9-11,14,17H,4-8,12-13H2,1-3H3,(H,21,22)/t14-,17-/m0/s1
SMILES: CO[C@@H]1[C@H]([C@H]([C@@H]([C@@H]([C@H]1OCC=C)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O
InChI: InChI=1S/C16H28O11/c1-3-4-25-15-12(23)13(9(20)10(21)14(15)24-2)27-16-11(22)8(19)7(18)6(5-17)26-16/h3,6-23H,1,4-5H2,2H3/t6-,7+,8+,9-,10+,11-,12+,13+,14-,15-,16+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O
InChI: InChI=1S/C32H32N2O8/c1-20-17-34(30(37)33-28(20)36)29-26-27(35)31(42-29,18-40-26)19-41-32(21-7-5-4-6-8-21,22-9-13-24(38-2)14-10-22)23-11-15-25(39-3)16-12-23/h4-17,26-27,29,35H,18-19H2,1-3H3,(H,33,36,37)/t26-,27+,29-,31-/m1/s1
SMILES: CC(=O)[C@@H]1[C@H]2C[C@@H](N(C[C@@]2(OC1=O)C)C)C3=CC=CC=C3
InChI: InChI=1S/C17H21NO3/c1-11(19)15-13-9-14(12-7-5-4-6-8-12)18(3)10-17(13,2)21-16(15)20/h4-8,13-15H,9-10H2,1-3H3/t13-,14-,15-,17+/m1/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)O)OCC)C)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C37H34ClFN2O6/c1-4-19-6-9-21(10-7-19)40-33(43)24-13-12-23-25(31(24)35(40)45)18-26-34(44)41(22-11-14-28(39)27(38)17-22)36(46)37(26,3)32(23)20-8-15-29(42)30(16-20)47-5-2/h6-12,14-17,24-26,31-32,42H,4-5,13,18H2,1-3H3/t24-,25+,26-,31-,32-,37+/m0/s1
SMILES: C[C@@H]1CC[C@@]23CO[C@]4([C@@H]2C1)CC[C@@H]5[C@]6(CC[C@@H](C([C@@H]6CC[C@]5([C@@]4(CC3=O)C)C)(C)C)O)C
InChI: InChI=1S/C29H46O3/c1-18-7-13-28-17-32-29(21(28)15-18)14-9-20-25(4)11-10-22(30)24(2,3)19(25)8-12-26(20,5)27(29,6)16-23(28)31/h18-22,30H,7-17H2,1-6H3/t18-,19+,20-,21-,22+,25+,26-,27+,28-,29+/m1/s1
SMILES: CC1=CC(=O)O[C@H]2[C@H]1C=CC(=C2)OCCCCCCCCOC3=C[C@@H]4[C@@H](C=C3)C(=CC(=O)O4)C
InChI: InChI=1S/C28H34O6/c1-19-15-27(29)33-25-17-21(9-11-23(19)25)31-13-7-5-3-4-6-8-14-32-22-10-12-24-20(2)16-28(30)34-26(24)18-22/h9-12,15-18,23-26H,3-8,13-14H2,1-2H3/t23-,24-,25+,26+/m0/s1
SMILES: C1C=C2[C@H](CN1C(=O)OCC3=CC=CC=C3)[C@H](C(C(=C2C#N)N)(C#N)C#N)C4=CC(=CS4)Br
InChI: InChI=1S/C24H18BrN5O2S/c25-16-8-20(33-12-16)21-19-10-30(23(31)32-11-15-4-2-1-3-5-15)7-6-17(19)18(9-26)22(29)24(21,13-27)14-28/h1-6,8,12,19,21H,7,10-11,29H2/t19-,21-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)C(C)C
InChI: InChI=1S/C44H46O10/c1-28(2)34-25-24-29(3)26-35(34)50-44-39(54-43(48)33-22-14-7-15-23-33)38(53-42(47)32-20-12-6-13-21-32)37(52-41(46)31-18-10-5-11-19-31)36(51-44)27-49-40(45)30-16-8-4-9-17-30/h4-23,28-29,34-39,44H,24-27H2,1-3H3/t29-,34+,35-,36-,37-,38+,39-,44-/m1/s1
SMILES: COC(=O)N1C2=CC[C@H]3CCN4[C@H]3[C@]2([C@@H](C4)SC5=CC=CC=C5)C6=CC=CC=C61
InChI: InChI=1S/C24H24N2O2S/c1-28-23(27)26-19-10-6-5-9-18(19)24-20(26)12-11-16-13-14-25(22(16)24)15-21(24)29-17-7-3-2-4-8-17/h2-10,12,16,21-22H,11,13-15H2,1H3/t16-,21+,22+,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)C4=CC=CC(=C4)CNS(=O)(=O)C5=CC=CC=C5)CN6CCC[C@H]6COC
InChI: InChI=1S/C38H44N2O6S/c1-27-36(24-40-21-7-10-34(40)26-44-2)45-38(46-37(27)31-15-13-28(25-41)14-16-31)32-19-17-30(18-20-32)33-9-6-8-29(22-33)23-39-47(42,43)35-11-4-3-5-12-35/h3-6,8-9,11-20,22,27,34,36-39,41H,7,10,21,23-26H2,1-2H3/t27-,34+,36+,37+,38+/m1/s1
SMILES: CC1=CC=C(C=C1)N2C=C(N(C2=S)C)[C@H]3[C@@H]([C@H](CO3)NC(=S)N[C@H]4CO[C@H]([C@@H]4OC(=O)C)C5=CN(C(=S)N5C)C6=CC=C(C=C6)C)OC(=O)C
InChI: InChI=1S/C35H40N6O6S3/c1-19-7-11-23(12-8-19)40-15-27(38(5)34(40)49)31-29(46-21(3)42)25(17-44-31)36-33(48)37-26-18-45-32(30(26)47-22(4)43)28-16-41(35(50)39(28)6)24-13-9-20(2)10-14-24/h7-16,25-26,29-32H,17-18H2,1-6H3,(H2,36,37,48)/t25-,26-,29+,30+,31-,32-/m0/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N\O)/C3=C(SC(=N3)N)Cl)C(=O)O)/C=C\C4=CC=NO4
InChI: InChI=1S/C17H13ClN6O6S2/c18-12-8(22-17(19)32-12)9(23-29)13(25)21-10-14(26)24-11(16(27)28)6(5-31-15(10)24)1-2-7-3-4-20-30-7/h1-4,10,15,29H,5H2,(H2,19,22)(H,21,25)(H,27,28)/b2-1-,23-9-/t10-,15-/m1/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N\O)/C3=CSC(=N3)N)C(=O)O)C#CCCO
InChI: InChI=1S/C16H15N5O6S2/c17-16-18-8(6-29-16)9(20-27)12(23)19-10-13(24)21-11(15(25)26)7(3-1-2-4-22)5-28-14(10)21/h6,10,14,22,27H,2,4-5H2,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
SMILES: C[N+](C)(C/C=C/C1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)[O-])[C@H](CO)C(=O)N
InChI: InChI=1S/C15H22N4O5S/c1-19(2,9(6-20)12(17)21)5-3-4-8-7-25-14-10(16)13(22)18(14)11(8)15(23)24/h3-4,9-10,14,20H,5-7,16H2,1-2H3,(H2-,17,21,23,24)/b4-3+/t9-,10-,14-/m1/s1
SMILES: C1CC[C@]23[C@](CC1)(N=[N+]([N-]2)C4=CC=C(C=C4)[N+](=O)[O-])OCN3C5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C20H20N6O5/c27-25(28)17-8-4-15(5-9-17)23-14-31-20-13-3-1-2-12-19(20,23)21-24(22-20)16-6-10-18(11-7-16)26(29)30/h4-11H,1-3,12-14H2/t19-,20+/m0/s1
SMILES: C1C[C@@H]2[C@H](C1)N3C4=C(C=NN4CC5=CC=CC=C5)C(=O)N(C3=N2)C6=CC=CC=C6
InChI: InChI=1S/C23H21N5O/c29-22-18-14-24-26(15-16-8-3-1-4-9-16)21(18)28-20-13-7-12-19(20)25-23(28)27(22)17-10-5-2-6-11-17/h1-6,8-11,14,19-20H,7,12-13,15H2/t19-,20+/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@H]1[C@@H]2C[C@@H]3[C@H]1/C(=C/4\[C@@H]5C[C@@H]6[C@H]4[C@H]([C@H]5C6)O[Si](C(C)C)(C(C)C)C(C)C)/[C@H]2C3
InChI: InChI=1S/C34H60O2Si2/c1-17(2)37(18(3)4,19(5)6)35-33-27-15-23-13-25(27)31(29(23)33)32-26-14-24-16-28(26)34(30(24)32)36-38(20(7)8,21(9)10)22(11)12/h17-30,33-34H,13-16H2,1-12H3/b32-31+/t23-,24+,25+,26-,27-,28+,29+,30-,33-,34-/m0/s1
SMILES: CN1[C@@H]([C@H]2C=CCC=C2[P@]1(=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C20H20NOP/c1-21-20(16-10-4-2-5-11-16)18-14-8-9-15-19(18)23(21,22)17-12-6-3-7-13-17/h2-8,10-15,18,20H,9H2,1H3/t18-,20+,23+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)[C@@H](C)OC(=O)C2=C(OC(=C2)C)C
InChI: InChI=1S/C18H27NO4/c1-10-7-6-8-16(12(10)3)19-17(20)14(5)23-18(21)15-9-11(2)22-13(15)4/h9-10,12,14,16H,6-8H2,1-5H3,(H,19,20)/t10-,12-,14+,16+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](CN[C@H]1CCC2=NC(=C(O2)C)C)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C21H26N2O5/c1-4-25-21(24)20-15(14-5-7-17-18(9-14)27-11-26-17)10-22-16(20)6-8-19-23-12(2)13(3)28-19/h5,7,9,15-16,20,22H,4,6,8,10-11H2,1-3H3/t15-,16+,20-/m1/s1
SMILES: C[C@H]([C@H]1C[C@@H]2CC[C@@H]1C2)NP3(=O)C=C(OC(=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C25H28NO2P/c1-18(23-15-19-12-13-22(23)14-19)26-29(27)16-24(20-8-4-2-5-9-20)28-25(17-29)21-10-6-3-7-11-21/h2-11,16-19,22-23H,12-15H2,1H3,(H,26,27)/t18-,19-,22-,23-/m1/s1
SMILES: CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)N2CC[C@@H]3CCCC[C@H]3C2)OC
InChI: InChI=1S/C19H26N2O5/c1-3-26-18-11-16(21(23)24)15(10-17(18)25-2)19(22)20-9-8-13-6-4-5-7-14(13)12-20/h10-11,13-14H,3-9,12H2,1-2H3/t13-,14-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C(=CC=C5)OC)O)C(=O)N(C4=O)C)C(=O)N(C2=O)C6=CC=CC=C6
InChI: InChI=1S/C29H28N2O6/c1-29-20(26(34)31(28(29)36)15-8-5-4-6-9-15)14-19-16(12-13-17-22(19)27(35)30(2)25(17)33)23(29)18-10-7-11-21(37-3)24(18)32/h4-12,17,19-20,22-23,32H,13-14H2,1-3H3/t17-,19+,20-,22-,23+,29+/m0/s1
SMILES: C[C@]12CCC3C(C1CC[C@@H]2OC)CCC4[C@@]3(CC[C@@](C4)(CCl)O)C
InChI: InChI=1S/C21H35ClO2/c1-19-10-11-21(23,13-22)12-14(19)4-5-15-16-6-7-18(24-3)20(16,2)9-8-17(15)19/h14-18,23H,4-13H2,1-3H3/t14?,15?,16?,17?,18-,19-,20-,21+/m0/s1
SMILES: CC(C)(C)[Si](C[C@@H]1C[C@]2(CCCC[C@H]2[C@@H](O1)C3=CC=CC=C3)O)(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C32H40O2Si/c1-31(2,3)35(27-17-9-5-10-18-27,28-19-11-6-12-20-28)24-26-23-32(33)22-14-13-21-29(32)30(34-26)25-15-7-4-8-16-25/h4-12,15-20,26,29-30,33H,13-14,21-24H2,1-3H3/t26-,29-,30-,32-/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@@H](C=CO2)[C@@H]([C@@H]4[C@]3(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C27H34O16/c1-11(28)35-9-18-21(38-14(4)31)22(39-15(5)32)23(40-16(6)33)26(41-18)42-25-19-17(7-8-34-25)20(37-13(3)30)24-27(19,43-24)10-36-12(2)29/h7-8,17-26H,9-10H2,1-6H3/t17-,18-,19-,20+,21-,22+,23-,24-,25+,26+,27+/m1/s1
SMILES: C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)CC(=O)OCC(=O)NC3=CC=C(C=C3)C(F)(F)F
InChI: InChI=1S/C19H17F3N2O5/c20-19(21,22)11-5-7-12(8-6-11)23-15(25)10-29-16(26)9-24-17(27)13-3-1-2-4-14(13)18(24)28/h1-2,5-8,13-14H,3-4,9-10H2,(H,23,25)/t13-,14-/m1/s1
SMILES: CC(C)[C@H]1CCCC(=O)N([C@]1(CCC2OCC(CO2)(C)C)CC=C)O
InChI: InChI=1S/C20H35NO4/c1-6-11-20(12-10-18-24-13-19(4,5)14-25-18)16(15(2)3)8-7-9-17(22)21(20)23/h6,15-16,18,23H,1,7-14H2,2-5H3/t16-,20+/m1/s1
SMILES: CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)[O-])C2=CC(=C(C=C2)OC)OC
InChI: InChI=1S/C18H25NO6/c1-18(2,3)25-17(22)19-9-12(13(10-19)16(20)21)11-6-7-14(23-4)15(8-11)24-5/h6-8,12-13H,9-10H2,1-5H3,(H,20,21)/p-1/t12-,13+/m0/s1
SMILES: CCOC(=O)N1CCN2[C@H]3[C@H]1CC4=CC=CC(=C34)CC5=CC=CC=C52
InChI: InChI=1S/C21H22N2O2/c1-2-25-21(24)23-11-10-22-17-9-4-3-6-14(17)12-15-7-5-8-16-13-18(23)20(22)19(15)16/h3-9,18,20H,2,10-13H2,1H3/t18-,20+/m1/s1
SMILES: CC(C)[C@H]1[C@@H]2CC(=O)CCCCCCCCC1=C(C2=O)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C25H32O4/c1-17(2)22-20-15-11-6-4-3-5-10-14-19(26)16-21(22)23(27)24(20)29-25(28)18-12-8-7-9-13-18/h7-9,12-13,17,21-22H,3-6,10-11,14-16H2,1-2H3/t21-,22+/m0/s1
SMILES: CCSC(=O)[C@H]1[C@@](O[C@@]([C@](O1)(C)OC)(C)OC)(CC2=CC=CC=C2)C(=O)SCC
InChI: InChI=1S/C21H30O6S2/c1-7-28-17(22)16-21(18(23)29-8-2,14-15-12-10-9-11-13-15)27-20(4,25-6)19(3,24-5)26-16/h9-13,16H,7-8,14H2,1-6H3/t16-,19+,20+,21-/m0/s1