EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCN([C@H]1CC(=NOC2CCCCO2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OCC=C)OCC=C)CCCCO)CCCCO)C(=O)C6=CC7=C(C=C6)OCO7
InChI: InChI=1S/C46H60N2O10/c1-4-20-48(45(51)32-16-18-39-40(27-32)55-30-54-39)41-29-37(47-58-42-15-9-12-25-53-42)35-26-31(13-7-10-21-49)34(14-8-11-22-50)43-36-28-33(52-23-5-2)17-19-38(36)57-46(41,44(35)43)56-24-6-3/h5-6,16-19,26-28,31,34,41-44,49-50H,2-4,7-15,20-25,29-30H2,1H3/t31-,34+,41-,42?,43+,44+,46+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=CC=CC=C2NCCO
InChI: InChI=1S/C19H28N2O4/c1-13-6-5-9-16(14(13)2)21-18(23)12-25-19(24)15-7-3-4-8-17(15)20-10-11-22/h3-4,7-8,13-14,16,20,22H,5-6,9-12H2,1-2H3,(H,21,23)/t13-,14+,16+/m0/s1
SMILES: C[C@H]1CCC[C@H](C(=O)N1)NC(=O)C2=C[C@@H]([C@@H]([C@@H](O2)O[C@H]([C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)OC(=O)N)OC)C(=O)N)O)O
InChI: InChI=1S/C25H34N6O13/c1-9-4-3-5-10(20(36)28-9)29-21(37)12-8-11(32)14(34)23(41-12)43-17(19(26)35)16-15(40-2)18(44-24(27)38)22(42-16)31-7-6-13(33)30-25(31)39/h6-11,14-18,22-23,32,34H,3-5H2,1-2H3,(H2,26,35)(H2,27,38)(H,28,36)(H,29,37)(H,30,33,39)/t9-,10+,11-,14-,15+,16-,17+,18+,22+,23-/m0/s1
SMILES: CC(C)N1C(=O)[C@H]2[C@@H]([NH2+][C@@]3([C@@H]2C1=O)C4=CC=CC=C4N(C3=O)C)CCSC
InChI: InChI=1S/C20H25N3O3S/c1-11(2)23-17(24)15-13(9-10-27-4)21-20(16(15)18(23)25)12-7-5-6-8-14(12)22(3)19(20)26/h5-8,11,13,15-16,21H,9-10H2,1-4H3/p+1/t13-,15-,16-,20+/m0/s1
SMILES: CC1=C(N=C(S1)NC(=O)C)S(=O)(=O)NC(=O)[C@]2(C[C@H]2C=C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)OC4=CC(=NC5=C4C=CC(=C5)OC)C6=CC=CC=C6
InChI: InChI=1S/C44H53N7O10S2/c1-11-27-22-44(27,39(55)50-63(57,58)37-24(2)62-40(48-37)45-25(3)52)49-36(53)33-20-29(23-51(33)38(54)35(42(4,5)6)47-41(56)61-43(7,8)9)60-34-21-31(26-15-13-12-14-16-26)46-32-19-28(59-10)17-18-30(32)34/h11-19,21,27,29,33,35H,1,20,22-23H2,2-10H3,(H,47,56)(H,49,53)(H,50,55)(H,45,48,52)/t27-,29-,33+,35-,44-/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)C2=CC=C(C=C2)OCC(C)C
InChI: InChI=1S/C21H31NO4/c1-14(2)12-25-18-10-8-17(9-11-18)21(24)26-13-20(23)22-19-7-5-6-15(3)16(19)4/h8-11,14-16,19H,5-7,12-13H2,1-4H3,(H,22,23)/t15-,16+,19-/m0/s1
SMILES: C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C3C(=CC5=C4[C@@H]6[C@H]([C@](O5)(OC7=CC(=CC(=C67)O)O)C8=CC(=C(C=C8)O)O)O)O)C9=CC=C(C=C9)O)O)O)O)C1=CC(=C(C=C1)O)O)O
InChI: InChI=1S/C45H36O17/c46-19-5-1-16(2-6-19)41-39(57)37(34-28(54)14-24(50)21-13-30(56)40(59-42(21)34)17-3-7-22(48)25(51)9-17)35-29(55)15-32-36(43(35)60-41)38-33-27(53)11-20(47)12-31(33)61-45(62-32,44(38)58)18-4-8-23(49)26(52)10-18/h1-12,14-15,30,37-41,44,46-58H,13H2/t30-,37+,38-,39-,40-,41-,44-,45+/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2C=CC3=CC=CC=C3[C@H]2NS(=O)(=O)C4=CC=CC=N4
InChI: InChI=1S/C21H18N2O2S/c24-26(25,20-12-6-7-15-22-20)23-21-18-11-5-4-10-17(18)13-14-19(21)16-8-2-1-3-9-16/h1-15,19,21,23H/t19-,21+/m0/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H]([C@@H](C2(C)C)CC1=O)O)OC(=O)CC(C4=CC=CC=C4)[N+](C)(C)C)C)OC(=O)C)O.[I-]
InChI: InChI=1S/C34H48NO7.HI/c1-19-25(37)17-23-30(39)29-20(2)26(42-27(38)18-24(35(7,8)9)22-13-11-10-12-14-22)15-16-34(29,6)32(41-21(3)36)31(40)28(19)33(23,4)5;/h10-14,23-24,26,29-32,39-40H,2,15-18H2,1,3-9H3;1H/q+1;/p-1/t23-,24?,26-,29-,30+,31+,32-,34+;/m0./s1
SMILES: CC(=O)OC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC=CN3)OC(=O)C4=CC=CN4)O)O
InChI: InChI=1S/C25H24N2O11/c1-13(28)35-15-8-6-14(7-9-15)22(31)34-12-18-19(29)20(30)21(37-23(32)16-4-2-10-26-16)25(36-18)38-24(33)17-5-3-11-27-17/h2-11,18-21,25-27,29-30H,12H2,1H3/t18-,19-,20+,21-,25+/m1/s1
SMILES: C1C[C@H]2[C@H](OCCN2[C@@H]1CCC3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C28H31NO2/c1-3-7-22(8-4-1)11-14-25-15-18-27-28(30-20-19-29(25)27)24-12-16-26(17-13-24)31-21-23-9-5-2-6-10-23/h1-10,12-13,16-17,25,27-28H,11,14-15,18-21H2/t25-,27+,28-/m1/s1
SMILES: CC(=O)O[C@H]1[C@H]([C@@]2([C@H]3[C@H]([C@]1(C)OC(=O)C)OC(=O)[C@H]2O[C@H]3OC)N=C=NCC4=CC=CC=C4)OC(=O)C
InChI: InChI=1S/C25H28N2O10/c1-13(28)33-19-20(34-14(2)29)25(27-12-26-11-16-9-7-6-8-10-16)17-18(24(19,4)37-15(3)30)35-22(31)21(25)36-23(17)32-5/h6-10,17-21,23H,11H2,1-5H3/t17-,18+,19-,20+,21+,23+,24-,25+/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)CNC(=O)CCC(=O)O)CN5CCC6(CC5)C(=O)NCN6C7=CC=CC=C7
InChI: InChI=1S/C43H48N4O7/c1-29-37(26-46-22-20-43(21-23-46)42(52)45-28-47(43)36-8-3-2-4-9-36)53-41(54-40(29)33-12-10-30(27-48)11-13-33)34-16-14-32(15-17-34)35-7-5-6-31(24-35)25-44-38(49)18-19-39(50)51/h2-17,24,29,37,40-41,48H,18-23,25-28H2,1H3,(H,44,49)(H,45,52)(H,50,51)/t29-,37+,40+,41+/m1/s1
SMILES: CC(=O)O[C@]1([C@H]([C@@H]([C@H]([C@@H](O1)OC)OC)OC)OC)[C@H](CCCNP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)I
InChI: InChI=1S/C29H41INO10P/c1-21(32)40-29(27(36-4)25(34-2)26(35-3)28(37-5)41-29)24(30)17-12-18-31-42(33,38-19-22-13-8-6-9-14-22)39-20-23-15-10-7-11-16-23/h6-11,13-16,24-28H,12,17-20H2,1-5H3,(H,31,33)/t24-,25+,26+,27-,28+,29+/m0/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@@H]3CC=C[C@@H]3C4=C(N2)C=CC(=C4)C(=O)C
InChI: InChI=1S/C21H21NO/c1-13-6-8-15(9-7-13)21-18-5-3-4-17(18)19-12-16(14(2)23)10-11-20(19)22-21/h3-4,6-12,17-18,21-22H,5H2,1-2H3/t17-,18+,21-/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@H](CC1=C[NH2+][C@@H]2[C@H]1C=CC=C2)C(=O)N/N=C\C3=COC4=CC=CC=C4C3=O
InChI: InChI=1S/C26H28N4O5/c1-26(2,3)35-25(33)29-21(12-16-13-27-20-10-6-4-8-18(16)20)24(32)30-28-14-17-15-34-22-11-7-5-9-19(22)23(17)31/h4-11,13-15,18,20-21,27H,12H2,1-3H3,(H,29,33)(H,30,32)/p+1/b28-14-/t18-,20-,21+/m0/s1
SMILES: CC1=CC(=CC2=C1[C@H]3CC[C@]4([C@@H]([C@@H]3CC2)CC[C@]4(C#C)O)C)OC
InChI: InChI=1S/C22H28O2/c1-5-22(23)11-9-19-17-7-6-15-13-16(24-4)12-14(2)20(15)18(17)8-10-21(19,22)3/h1,12-13,17-19,23H,6-11H2,2-4H3/t17-,18+,19-,21+,22+/m1/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)C4C=CC3[C@@H]5[C@@H]4C(=O)N(C5=O)C6=CC=C(C=C6)OC
InChI: InChI=1S/C26H22N2O6/c1-33-15-7-3-13(4-8-15)27-23(29)19-17-11-12-18(20(19)24(27)30)22-21(17)25(31)28(26(22)32)14-5-9-16(34-2)10-6-14/h3-12,17-22H,1-2H3/t17?,18?,19-,20-,21+,22+
SMILES: CC[C@@H](C)N1C(=O)[C@@H]2[C@@H]([NH2+][C@@]3([C@@H]2C1=O)C4=C(C(=CC=C4)Cl)NC3=O)CC(=O)N
InChI: InChI=1S/C19H21ClN4O4/c1-3-8(2)24-16(26)13-11(7-12(21)25)23-19(14(13)17(24)27)9-5-4-6-10(20)15(9)22-18(19)28/h4-6,8,11,13-14,23H,3,7H2,1-2H3,(H2,21,25)(H,22,28)/p+1/t8-,11+,13-,14+,19-/m1/s1
SMILES: CCCC[Sn](CCCC)(CCCC)CO[C@H]1C=C[C@@H]([C@@H]1NC(=O)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C14H26NO3Si.3C4H9.Sn/c1-10(16)15-13-11(17-5)8-9-12(13)18-19(6,7)14(2,3)4;3*1-3-4-2;/h8-9,11-13H,5H2,1-4,6-7H3,(H,15,16);3*1,3-4H2,2H3;/t11-,12-,13+;;;;/m0..../s1
SMILES: CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI: InChI=1S/C17H25N7O6/c1-17(2,3)30-16(28)20-5-4-19-14(27)11-9(25)10(26)15(29-11)24-7-23-8-12(18)21-6-22-13(8)24/h6-7,9-11,15,25-26H,4-5H2,1-3H3,(H,19,27)(H,20,28)(H2,18,21,22)/t9-,10+,11-,15+/m0/s1
SMILES: C1[C@@H]([C@H](OC2=C1C(=CC3=C2C(CC(=O)O3)C4=CC=CC=C4)O)C5=CC(=C(C=C5)O)O)O
InChI: InChI=1S/C24H20O7/c25-16-7-6-13(8-18(16)27)23-19(28)9-15-17(26)11-20-22(24(15)31-23)14(10-21(29)30-20)12-4-2-1-3-5-12/h1-8,11,14,19,23,25-28H,9-10H2/t14?,19-,23+/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@@H]1C[C@H](CS(=O)(=O)[C@@H]1Br)CO
InChI: InChI=1S/C11H20BrNO5S/c1-11(2,3)18-10(15)13-8-4-7(5-14)6-19(16,17)9(8)12/h7-9,14H,4-6H2,1-3H3,(H,13,15)/t7-,8+,9-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]3CO[C@H]2[C@@H]([C@@H]([C@H]3OC(=O)C)O)O
InChI: InChI=1S/C15H19NO7S/c1-8-3-5-10(6-4-8)24(20,21)16-11-7-22-15(16)13(19)12(18)14(11)23-9(2)17/h3-6,11-15,18-19H,7H2,1-2H3/t11-,12+,13-,14+,15+/m1/s1
SMILES: C=CCCCO[C@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)O)O
InChI: InChI=1S/C18H24O6/c1-2-3-7-10-21-18-15(20)14(19)16-13(23-18)11-22-17(24-16)12-8-5-4-6-9-12/h2,4-6,8-9,13-20H,1,3,7,10-11H2/t13-,14-,15-,16-,17-,18-/m1/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)CC5=C([C@H]4C6=C(C=CC7=CC=CC=C76)O)C(=O)C(=CC5=O)C)Cl
InChI: InChI=1S/C34H26ClNO5/c1-16-7-9-19(14-25(16)35)36-33(40)22-11-10-21-23(28(22)34(36)41)15-24-27(38)13-17(2)32(39)31(24)30(21)29-20-6-4-3-5-18(20)8-12-26(29)37/h3-10,12-14,22-23,28,30,37H,11,15H2,1-2H3/t22-,23+,28-,30+/m0/s1
SMILES: C1[C@H](CO[C@@H]([C@H]1OCC2=CC=CC=C2)COCC3=CC=CC=C3)OC4=NC=CC(=N4)N
InChI: InChI=1S/C24H27N3O4/c25-23-11-12-26-24(27-23)31-20-13-21(29-15-19-9-5-2-6-10-19)22(30-16-20)17-28-14-18-7-3-1-4-8-18/h1-12,20-22H,13-17H2,(H2,25,26,27)/t20-,21+,22-/m1/s1
SMILES: C[C@@H]1[C@@H]2C[C@@H]([C@H](C2=C([C@@H](O1)C=C)COC(=O)C)O)C(C)C
InChI: InChI=1S/C17H26O4/c1-6-15-14(8-20-11(5)18)16-13(10(4)21-15)7-12(9(2)3)17(16)19/h6,9-10,12-13,15,17,19H,1,7-8H2,2-5H3/t10-,12-,13+,15+,17-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)O[C@H]5[C@@H]([C@](CO5)(CO)O)O)O)O
InChI: InChI=1S/C28H30O15/c1-12(30)38-9-20-22(34)23(35)24(43-27-25(36)28(37,10-29)11-39-27)26(42-20)40-15-6-16(32)21-17(33)8-18(41-19(21)7-15)13-2-4-14(31)5-3-13/h2-8,20,22-27,29,31-32,34-37H,9-11H2,1H3/t20-,22-,23+,24-,25+,26-,27+,28-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C[C@@H](CC[C@]34C)O[Si](C)(C)CBr)C
InChI: InChI=1S/C24H39BrO3Si/c1-16(26)27-22-9-8-20-19-7-6-17-14-18(28-29(4,5)15-25)10-12-23(17,2)21(19)11-13-24(20,22)3/h14,18-22H,6-13,15H2,1-5H3/t18-,19+,20+,21+,22+,23+,24+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2
InChI: InChI=1S/C19H27N3OS/c1-13-7-6-9-15(14(13)2)20-18(23)11-22(3)12-19-21-16-8-4-5-10-17(16)24-19/h4-5,8,10,13-15H,6-7,9,11-12H2,1-3H3,(H,20,23)/p+1/t13-,14+,15+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)C)C
InChI: InChI=1S/C32H56O5/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(37-30-29(35)28(34)27(33)18-36-30)13-15-31(21,4)26(23)14-16-32(24,25)5/h19-30,33-35H,6-18H2,1-5H3/t20-,21+,22+,23+,24-,25+,26+,27-,28+,29-,30+,31+,32-/m1/s1
SMILES: C=C1[C@H]([C@@H](N2C(=NC(=N2)CCCO)N1)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)NC5=CN=CC=C5
InChI: InChI=1S/C28H28N6O3/c1-19-25(27(36)31-22-9-5-15-29-17-22)26(34-28(30-19)32-24(33-34)10-6-16-35)21-11-13-23(14-12-21)37-18-20-7-3-2-4-8-20/h2-5,7-9,11-15,17,25-26,35H,1,6,10,16,18H2,(H,31,36)(H,30,32,33)/t25-,26+/m1/s1
SMILES: CCCN1C(=C(C(=O)NC1=O)C(=O)CN2CCC[C@@H]3[C@H]2CCCC3)N
InChI: InChI=1S/C18H28N4O3/c1-2-9-22-16(19)15(17(24)20-18(22)25)14(23)11-21-10-5-7-12-6-3-4-8-13(12)21/h12-13H,2-11,19H2,1H3,(H,20,24,25)/t12-,13-/m1/s1
SMILES: CC1(C(=O)C2=C(O1)C(=CC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C
InChI: InChI=1S/C16H18O9/c1-16(2)13(20)6-4-3-5-7(11(6)25-16)23-15-10(19)8(17)9(18)12(24-15)14(21)22/h3-5,8-10,12,15,17-19H,1-2H3,(H,21,22)/t8-,9-,10+,12-,15+/m0/s1
SMILES: CC(=CC(CC[C@@H]1[C@H](OC(O1)(C)C)SC2=CC=CC=C2)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C
InChI: InChI=1S/C34H44O3SSi/c1-26(2)25-27(23-24-31-32(36-34(6,7)35-31)38-28-17-11-8-12-18-28)37-39(33(3,4)5,29-19-13-9-14-20-29)30-21-15-10-16-22-30/h8-22,25,27,31-32H,23-24H2,1-7H3/t27?,31-,32-/m1/s1
SMILES: CCN1CC=C2[C@H](C1)[C@@H](C(C(=N)C2C#N)(C#N)C#N)C3=CC=C(S3)C
InChI: InChI=1S/C19H19N5S/c1-3-24-7-6-13-14(8-20)18(23)19(10-21,11-22)17(15(13)9-24)16-5-4-12(2)25-16/h4-6,14-15,17,23H,3,7,9H2,1-2H3/t14?,15-,17+/m0/s1
SMILES: CCCCCCCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCC=C)COC(=O)OCC(Cl)(Cl)Cl)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)OC(=O)CNC(=O)CCCCCCCCCCC
InChI: InChI=1S/C52H78Cl3N2O13P/c1-4-7-9-11-13-15-16-18-20-22-30-36-45(59)57-47-49(67-46(60)38-56-44(58)35-29-21-19-17-14-12-10-8-5-2)48(43(66-50(47)63-37-6-3)39-64-51(61)65-40-52(53,54)55)70-71(62,68-41-31-25-23-26-32-41)69-42-33-27-24-28-34-42/h6,23-28,31-34,43,47-50H,3-5,7-22,29-30,35-40H2,1-2H3,(H,56,58)(H,57,59)/t43-,47-,48-,49-,50+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)COC2=CC=CC=C2F
InChI: InChI=1S/C18H23FN2O5/c1-12-6-2-4-8-14(12)20-18(24)21-16(22)10-26-17(23)11-25-15-9-5-3-7-13(15)19/h3,5,7,9,12,14H,2,4,6,8,10-11H2,1H3,(H2,20,21,22,24)/t12-,14-/m0/s1
SMILES: C[C@@H]1C[C@H](OC(=O)C1)[C@H]2[C@@H](CC(O2)([C@H](C)C[C@H](C)CN=[N+]=[N-])OC)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C24H33N3O6/c1-15-11-19(31-21(28)12-15)22-20(32-23(29)18-8-6-5-7-9-18)13-24(30-4,33-22)17(3)10-16(2)14-26-27-25/h5-9,15-17,19-20,22H,10-14H2,1-4H3/t15-,16+,17-,19+,20-,22+,24?/m1/s1
SMILES: COC1=C(C=C(C=C1)Cl)N2C(=O)[C@H]3[C@@H](C2=O)C4(C(=O)C5=CC=CC=C5C4=O)O[C@H]3C6=CC=C(C=C6)Br
InChI: InChI=1S/C27H17BrClNO6/c1-35-19-11-10-15(29)12-18(19)30-25(33)20-21(26(30)34)27(36-22(20)13-6-8-14(28)9-7-13)23(31)16-4-2-3-5-17(16)24(27)32/h2-12,20-22H,1H3/t20-,21-,22-/m0/s1
SMILES: C1[C@@H]([C@H](NC(=N1)N[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)CO)O
InChI: InChI=1S/C11H21N3O7/c15-2-4-5(17)1-12-11(13-4)14-7-6(3-16)21-10(20)9(19)8(7)18/h4-10,15-20H,1-3H2,(H2,12,13,14)/t4-,5+,6-,7-,8+,9-,10+/m1/s1
SMILES: C1C2CC3CC1CC(C2)(C3)C(=O)[C@H]4[C@H](C4(C#N)C#N)/C=C/C5=CC=CC=C5
InChI: InChI=1S/C24H24N2O/c25-14-24(15-26)20(7-6-16-4-2-1-3-5-16)21(24)22(27)23-11-17-8-18(12-23)10-19(9-17)13-23/h1-7,17-21H,8-13H2/b7-6+/t17?,18?,19?,20-,21-,23?/m1/s1
SMILES: COC1=CC(=CC2=C1O[C@H]3[C@@H]2C(=C[C@H]([C@@H]3O)N(CC4=CC(=C(C=C4)Cl)Cl)C(=O)C5CC5)C(=O)NCCO)CO
InChI: InChI=1S/C28H30Cl2N2O7/c1-38-22-10-15(13-34)8-17-23-18(27(36)31-6-7-33)11-21(24(35)26(23)39-25(17)22)32(28(37)16-3-4-16)12-14-2-5-19(29)20(30)9-14/h2,5,8-11,16,21,23-24,26,33-35H,3-4,6-7,12-13H2,1H3,(H,31,36)/t21-,23+,24+,26+/m1/s1
SMILES: C[C@]12CCCC(=C)[C@H]1C[C@H]3[C@@H](C2)OC(=O)[C@H]3CNCC4=CN=CC=C4
InChI: InChI=1S/C21H28N2O2/c1-14-5-3-7-21(2)10-19-16(9-18(14)21)17(20(24)25-19)13-23-12-15-6-4-8-22-11-15/h4,6,8,11,16-19,23H,1,3,5,7,9-10,12-13H2,2H3/t16-,17+,18-,19-,21-/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)Br)Br
InChI: InChI=1S/C25H17Br2NO2/c1-14-10-12-15(13-11-14)28-22(29)20-21(23(28)30)25(27)17-7-3-2-6-16(17)24(20,26)18-8-4-5-9-19(18)25/h2-13,20-21H,1H3/t20-,21+,24?,25?
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H]3C[C@]([C@H](S3)N4C=NC5=C4N=C(N=C5Cl)F)(F)[Se]C6=CC=CC=C6
InChI: InChI=1S/C32H31ClF2N4OSSeSi/c1-31(2,3)43(24-15-9-5-10-16-24,25-17-11-6-12-18-25)40-20-22-19-32(35,42-23-13-7-4-8-14-23)29(41-22)39-21-36-26-27(33)37-30(34)38-28(26)39/h4-18,21-22,29H,19-20H2,1-3H3/t22-,29+,32+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)/C=C/C2=CC3=C(C(=C2)OC)OCCO3
InChI: InChI=1S/C22H29NO6/c1-14-5-4-6-17(15(14)2)23-20(24)13-29-21(25)8-7-16-11-18(26-3)22-19(12-16)27-9-10-28-22/h7-8,11-12,14-15,17H,4-6,9-10,13H2,1-3H3,(H,23,24)/b8-7+/t14-,15+,17-/m0/s1
SMILES: CC1(O[C@@H]([C@@H](O1)[C@H](CC=O)O[Si](C)(C)C(C)(C)C)C#C)C
InChI: InChI=1S/C16H28O4Si/c1-9-12-14(19-16(5,6)18-12)13(10-11-17)20-21(7,8)15(2,3)4/h1,11-14H,10H2,2-8H3/t12-,13+,14-/m1/s1
SMILES: CC(=O)NC[C@H]1[C@@H]([C@H]([C@H]2[C@H](O1)COC(O2)C3=CC=CC=C3)OC(=O)C)OS(=O)(=O)C
InChI: InChI=1S/C19H25NO9S/c1-11(21)20-9-14-17(29-30(3,23)24)18(26-12(2)22)16-15(27-14)10-25-19(28-16)13-7-5-4-6-8-13/h4-8,14-19H,9-10H2,1-3H3,(H,20,21)/t14-,15+,16+,17-,18-,19?/m0/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H]([C-](N[C@]([C@@H]2[N+]3=CC=CC=C3)(C4=CC=CS4)O)NC#N)C#N
InChI: InChI=1S/C22H19N5OS/c23-14-17-19(16-8-3-1-4-9-16)20(27-11-5-2-6-12-27)22(28,18-10-7-13-29-18)26-21(17)25-15-24/h1-13,17,19-20,25-26,28H/t17-,19+,20-,22-/m1/s1
SMILES: C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N[C@H]3C[C@@H]4CC[C@@H]3C4
InChI: InChI=1S/C17H24N2O4S2/c20-24(21,18-17-12-13-3-4-14(17)11-13)15-5-7-16(8-6-15)25(22,23)19-9-1-2-10-19/h5-8,13-14,17-18H,1-4,9-12H2/t13-,14-,17+/m1/s1
SMILES: CCC(C)(CC(C)/C=C\[C@@H]1[C@H]([C@@H]([C@H]2[C@@H](O1)[C@H](OC2=O)C)O)O)O
InChI: InChI=1S/C17H28O6/c1-5-17(4,21)8-9(2)6-7-11-13(18)14(19)12-15(23-11)10(3)22-16(12)20/h6-7,9-15,18-19,21H,5,8H2,1-4H3/b7-6-/t9?,10-,11-,12+,13-,14-,15+,17?/m1/s1
SMILES: CCOC(=O)C1=C(N(N=C1)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)OC(O3)(C)C)N
InChI: InChI=1S/C14H21N3O6/c1-4-20-13(19)7-5-16-17(11(7)15)12-10-9(8(6-18)21-12)22-14(2,3)23-10/h5,8-10,12,18H,4,6,15H2,1-3H3/t8-,9-,10-,12-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N
InChI: InChI=1S/C23H26N2O2/c1-16-4-3-5-22(17(16)2)25-23(26)15-27-21-12-10-20(11-13-21)19-8-6-18(14-24)7-9-19/h6-13,16-17,22H,3-5,15H2,1-2H3,(H,25,26)/t16-,17+,22+/m0/s1
SMILES: COCOC[C@H]1[C@@H](OC(=O)[C@@]1(CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)O)C4=CC(=C(C=C4)OC)OC
InChI: InChI=1S/C30H34O9/c1-33-19-37-18-23-28(22-11-13-24(34-2)27(15-22)36-4)39-29(31)30(23,32)16-21-10-12-25(26(14-21)35-3)38-17-20-8-6-5-7-9-20/h5-15,23,28,32H,16-19H2,1-4H3/t23-,28-,30-/m0/s1
SMILES: CSCC[C@H](C(=O)O)N1C(=O)[C@H]2[C@H]3C[C@@H]([C@H]2C1=O)[C@H]([C@@H]3Br)Br
InChI: InChI=1S/C14H17Br2NO4S/c1-22-3-2-7(14(20)21)17-12(18)8-5-4-6(9(8)13(17)19)11(16)10(5)15/h5-11H,2-4H2,1H3,(H,20,21)/t5-,6+,7-,8+,9-,10-,11-/m1/s1
SMILES: CC[C@H](C)[C@H]1C2=NC(=CS2)C(=O)N[C@@H](C3=NC(=CS3)C(=O)N[C@H](C(=O)N4CCC[C@H]4C5=N[C@@H]([C@H](O5)C)C(=O)N1)CC6=CC=CC=C6)C
InChI: InChI=1S/C33H39N7O5S2/c1-5-17(2)25-32-37-22(16-47-32)27(41)34-18(3)31-36-23(15-46-31)28(42)35-21(14-20-10-7-6-8-11-20)33(44)40-13-9-12-24(40)30-39-26(19(4)45-30)29(43)38-25/h6-8,10-11,15-19,21,24-26H,5,9,12-14H2,1-4H3,(H,34,41)(H,35,42)(H,38,43)/t17-,18+,19+,21-,24-,25-,26-/m0/s1
SMILES: CC(C)(C)C1=CSC(=N1)NC(=O)[C@@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)[O-])O3
InChI: InChI=1S/C15H20N2O4S/c1-15(2,3)9-6-22-14(16-9)17-12(18)10-7-4-5-8(21-7)11(10)13(19)20/h6-8,10-11H,4-5H2,1-3H3,(H,19,20)(H,16,17,18)/p-1/t7-,8+,10-,11+/m1/s1
SMILES: CC1=C(N2C=CC=CC2=N1)C(=O)N/N=C\3/CC[C@H]4CCCC[C@H]4C3
InChI: InChI=1S/C19H24N4O/c1-13-18(23-11-5-4-8-17(23)20-13)19(24)22-21-16-10-9-14-6-2-3-7-15(14)12-16/h4-5,8,11,14-15H,2-3,6-7,9-10,12H2,1H3,(H,22,24)/b21-16-/t14-,15+/m1/s1
SMILES: C[C@]12CCC3C(C1C[C@]([C@@H]2O)(CCCCCCCCCCNCCC4=CC=CC=N4)CO)CCC5=C3C=CC(=C5)O
InChI: InChI=1S/C36H54N2O3/c1-35-20-17-31-30-16-14-29(40)24-27(30)13-15-32(31)33(35)25-36(26-39,34(35)41)19-9-6-4-2-3-5-7-10-21-37-23-18-28-12-8-11-22-38-28/h8,11-12,14,16,22,24,31-34,37,39-41H,2-7,9-10,13,15,17-21,23,25-26H2,1H3/t31?,32?,33?,34-,35+,36-/m1/s1
SMILES: C[C@H]1CC[C@]2([C@H]([C@@H]1CC3=C(C=CC(=C3)OS(=O)(=O)O)OS(=O)(=O)O)CC[C@@]4([C@@H]2CC[C@]5([C@H]4CC[C@@]6([C@@H]5CCCC6(C)C)O)C)C)C
InChI: InChI=1S/C35H54O9S2/c1-22-11-16-32(4)26(25(22)21-23-20-24(43-45(37,38)39)9-10-27(23)44-46(40,41)42)12-17-33(5)28(32)13-18-34(6)29(33)14-19-35(36)30(34)8-7-15-31(35,2)3/h9-10,20,22,25-26,28-30,36H,7-8,11-19,21H2,1-6H3,(H,37,38,39)(H,40,41,42)/t22-,25+,26-,28+,29-,30+,32-,33+,34-,35-/m0/s1
SMILES: C1=CC=C(C=C1)CN2C(=O)[C@@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=CC=C5Cl
InChI: InChI=1S/C24H19ClN2O3/c25-19-14-8-7-13-18(19)21-20-22(30-27(21)17-11-5-2-6-12-17)24(29)26(23(20)28)15-16-9-3-1-4-10-16/h1-14,20-22H,15H2/t20-,21-,22+/m1/s1
SMILES: CCCCN1[C@H]([C@@H](CCC1=O)C(=O)NC2=CC=CC(=C2C)C)C3=CC=CC=C3OC
InChI: InChI=1S/C25H32N2O3/c1-5-6-16-27-23(28)15-14-20(24(27)19-11-7-8-13-22(19)30-4)25(29)26-21-12-9-10-17(2)18(21)3/h7-13,20,24H,5-6,14-16H2,1-4H3,(H,26,29)/t20-,24+/m1/s1
SMILES: CC1=C2C[C@H]([C@](C[C@@H]2OC1=O)(C)C=C)C(=C)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@](CO4)(CO)O)O)O)O)O
InChI: InChI=1S/C26H38O12/c1-5-25(4)7-16-14(13(3)22(32)37-16)6-15(25)12(2)8-34-23-20(30)19(29)18(28)17(38-23)9-35-24-21(31)26(33,10-27)11-36-24/h5,15-21,23-24,27-31,33H,1-2,6-11H2,3-4H3/t15-,16-,17+,18+,19-,20+,21-,23+,24+,25+,26+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CC(=O)NC3=CC=CC=C3OC(F)F
InChI: InChI=1S/C19H21F2N3O5/c1-11-6-2-4-8-13(11)24-17(27)16(26)23(19(24)28)10-15(25)22-12-7-3-5-9-14(12)29-18(20)21/h3,5,7,9,11,13,18H,2,4,6,8,10H2,1H3,(H,22,25)/t11-,13-/m0/s1
SMILES: CCC/C=C/C=C/C=C/C(=O)O[C@@H]1[C@H]([C@]23[C@@H]4C=C(C(=O)[C@]4([C@@H]([C@@]5([C@H]([C@H]2[C@@H]6[C@]1(OC(O6)(O3)C7=CC=CC=C7)C(=C)C)O5)CO)O)O)C)C
InChI: InChI=1S/C37H42O10/c1-6-7-8-9-10-11-15-18-26(39)43-29-23(5)36-25-19-22(4)28(40)34(25,42)32(41)33(20-38)30(44-33)27(36)31-35(29,21(2)3)46-37(45-31,47-36)24-16-13-12-14-17-24/h8-19,23,25,27,29-32,38,41-42H,2,6-7,20H2,1,3-5H3/b9-8+,11-10+,18-15+/t23-,25-,27+,29-,30+,31-,32-,33+,34-,35+,36+,37?/m1/s1
SMILES: CC(C)[Si]1(OC[C@@H]2[C@H]([C@@H]([C@H]([C@@]3(O2)C4=C(CO3)C=C(C=C4O[Si](C(C)C)(C(C)C)C(C)C)O[Si](C(C)C)(C(C)C)C(C)C)OC(=O)C)OC(=O)C)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C47H86O11Si4/c1-27(2)59(28(3)4,29(5)6)55-40-23-39-25-50-47(43(39)41(24-40)56-60(30(7)8,31(9)10)32(11)12)46(53-38(22)49)45(52-37(21)48)44-42(54-47)26-51-61(33(13)14,34(15)16)58-62(57-44,35(17)18)36(19)20/h23-24,27-36,42,44-46H,25-26H2,1-22H3/t42-,44-,45+,46-,47+/m1/s1
SMILES: CN1[C@H]2CC[C@@H]1[C@H](C(=O)C2)[C@@H](C3=CC=C(C=C3)F)O
InChI: InChI=1S/C15H18FNO2/c1-17-11-6-7-12(17)14(13(18)8-11)15(19)9-2-4-10(16)5-3-9/h2-5,11-12,14-15,19H,6-8H2,1H3/t11-,12+,14+,15+/m0/s1
SMILES: C1=CC=C(C(=C1)C(=O)O)N[C@H]2C=CC(=O)[C@@H]2NC3=CC=CC=C3C(=O)O
InChI: InChI=1S/C19H16N2O5/c22-16-10-9-15(20-13-7-3-1-5-11(13)18(23)24)17(16)21-14-8-4-2-6-12(14)19(25)26/h1-10,15,17,20-21H,(H,23,24)(H,25,26)/t15-,17+/m0/s1
SMILES: CCSC(CN1C/C(=C/COCC2=CC=C(C=C2)OC)/[C@@H]3C[C@H]1C4=C([C@H]3COCOCC[Si](C)(C)C)NC5=CC=CC=C54)SCC
InChI: InChI=1S/C37H54N2O4S2Si/c1-7-44-35(45-8-2)23-39-22-28(17-18-41-24-27-13-15-29(40-3)16-14-27)31-21-34(39)36-30-11-9-10-12-33(30)38-37(36)32(31)25-43-26-42-19-20-46(4,5)6/h9-17,31-32,34-35,38H,7-8,18-26H2,1-6H3/b28-17-/t31-,32-,34-/m0/s1
SMILES: COC1=CC=C(C=C1)CN(C2=CC=C(C=C2)Br)C(=O)[C@H]3CC(=N[C@H]3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5
InChI: InChI=1S/C31H26BrN3O4/c1-39-27-17-7-21(8-18-27)20-34(25-15-11-24(32)12-16-25)31(36)28-19-29(22-5-3-2-4-6-22)33-30(28)23-9-13-26(14-10-23)35(37)38/h2-18,28,30H,19-20H2,1H3/t28-,30-/m0/s1
SMILES: CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@H](C31)C5[C@@H]([C@@H]([C@H]6C[C@@H]4[C@@]5([C@H]6OC)O)OC)O)OC)OC(=O)C7=CC=CC=C7NC(=O)C
InChI: InChI=1S/C32H44N2O8/c1-6-34-15-30(42-29(37)17-9-7-8-10-20(17)33-16(2)35)12-11-23(39-3)31-21(30)13-18(27(31)34)24-25(36)26(40-4)19-14-22(31)32(24,38)28(19)41-5/h7-10,18-19,21-28,36,38H,6,11-15H2,1-5H3,(H,33,35)/t18-,19-,21-,22+,23+,24?,25+,26-,27?,28+,30-,31+,32-/m1/s1
SMILES: C1CC1C(=O)N=C2N([C@H]3CS(=O)(=O)C[C@H]3S2)CC4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C17H18N2O5S2/c20-16(11-2-3-11)18-17-19(12-7-26(21,22)8-15(12)25-17)6-10-1-4-13-14(5-10)24-9-23-13/h1,4-5,11-12,15H,2-3,6-9H2/t12-,15+/m0/s1
SMILES: COC(=O)[C@H]([C@@H]1[C@H]2[C@H](COC(O2)C3=CC=CC=C3)OC(O1)C4=CC=CC=C4)O
InChI: InChI=1S/C21H22O7/c1-24-19(23)16(22)18-17-15(26-21(28-18)14-10-6-3-7-11-14)12-25-20(27-17)13-8-4-2-5-9-13/h2-11,15-18,20-22H,12H2,1H3/t15-,16-,17+,18+,20?,21?/m0/s1
SMILES: CCO[C@@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@@H]4OC(=O)OC5=CC=CC=C5)C)C
InChI: InChI=1S/C28H38O4/c1-4-30-21-14-16-27(2)19(18-21)10-11-22-23-12-13-25(28(23,3)17-15-24(22)27)32-26(29)31-20-8-6-5-7-9-20/h5-9,18,21-25H,4,10-17H2,1-3H3/t21-,22+,23+,24+,25+,27+,28+/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@]6(C(=O)N(C(=O)[C@]6([C@H]5C7=C(C=CC=C7OC)O)Cl)C8=C(C(=C(C(=C8F)F)F)F)F)Cl
InChI: InChI=1S/C41H30Cl2F5N5O6/c1-51(2)20-11-7-18(8-12-20)49-50-19-9-13-21(14-10-19)52-36(55)23-16-15-22-24(27(23)37(52)56)17-40(42)38(57)53(35-33(47)31(45)30(44)32(46)34(35)48)39(58)41(40,43)29(22)28-25(54)5-4-6-26(28)59-3/h4-15,23-24,27,29,54H,16-17H2,1-3H3/t23-,24+,27-,29+,40+,41-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C4CCN=C(O4)C5=CC=C(C=C5)Br)CC=C6[C@@]3(CC[C@@H](C6)O)C
InChI: InChI=1S/C29H38BrNO2/c1-28-14-11-21(32)17-19(28)5-8-22-23-9-10-25(29(23,2)15-12-24(22)28)26-13-16-31-27(33-26)18-3-6-20(30)7-4-18/h3-7,21-26,32H,8-17H2,1-2H3/t21-,22-,23-,24-,25+,26?,28-,29-/m0/s1
SMILES: CC1=C2[C@@H](OC(=O)C2C[C@H]([C@]34[C@@H]1C[C@@H](C=C3C(=O)OC4)O)OC(=O)C)C5=COC=C5
InChI: InChI=1S/C22H22O8/c1-10-15-5-13(24)6-16-21(26)28-9-22(15,16)17(29-11(2)23)7-14-18(10)19(30-20(14)25)12-3-4-27-8-12/h3-4,6,8,13-15,17,19,24H,5,7,9H2,1-2H3/t13-,14?,15+,17+,19-,22+/m0/s1
SMILES: CCCCN1C(=O)[C@@H]2[C@@H](N[C@]3([C@@H]2C1=O)C4=C(C(=CC=C4)Cl)NC3=O)CCC(=O)O
InChI: InChI=1S/C20H22ClN3O5/c1-2-3-9-24-17(27)14-12(7-8-13(25)26)23-20(15(14)18(24)28)10-5-4-6-11(21)16(10)22-19(20)29/h4-6,12,14-15,23H,2-3,7-9H2,1H3,(H,22,29)(H,25,26)/t12-,14+,15-,20-/m0/s1
SMILES: CC1=CC2=C(C=C1)N[C@H]([C@H]3[C@H]2C=CC3)C4=CN=CC=C4
InChI: InChI=1S/C18H18N2/c1-12-7-8-17-16(10-12)14-5-2-6-15(14)18(20-17)13-4-3-9-19-11-13/h2-5,7-11,14-15,18,20H,6H2,1H3/t14-,15-,18+/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C15H11Cl2NO2/c16-9-3-4-11(10(17)6-9)18-14(19)12-7-1-2-8(5-7)13(12)15(18)20/h1-4,6-8,12-13H,5H2/t7-,8+,12-,13+
SMILES: CC(C)OC(=O)[C@@H]1C[C@H]([C@H](N1)C2=CC=CC=C2)C(=O)C
InChI: InChI=1S/C16H21NO3/c1-10(2)20-16(19)14-9-13(11(3)18)15(17-14)12-7-5-4-6-8-12/h4-8,10,13-15,17H,9H2,1-3H3/t13-,14-,15+/m0/s1