EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=CC=C(C=C1)NC2=C([C@H]([C@@H]([C@@](C2)(C)O)C(=O)C)C3=CC=CC=C3F)C(=O)C
InChI: InChI=1S/C24H26FNO3/c1-14-9-11-17(12-10-14)26-20-13-24(4,29)23(16(3)28)22(21(20)15(2)27)18-7-5-6-8-19(18)25/h5-12,22-23,26,29H,13H2,1-4H3/t22-,23+,24+/m1/s1
SMILES: C1C[C@@H]2[C@@H](C2(Cl)Cl)CC[C@H]3[C@H]1C3C(=O)NC4=CC=C(C=C4)F
InChI: InChI=1S/C17H18Cl2FNO/c18-17(19)13-7-5-11-12(6-8-14(13)17)15(11)16(22)21-10-3-1-9(20)2-4-10/h1-4,11-15H,5-8H2,(H,21,22)/t11-,12-,13-,14+,15?/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CC(=CC=C2)NC(=O)C
InChI: InChI=1S/C18H24N2O4/c1-12-6-3-4-9-16(12)20-17(22)11-24-18(23)14-7-5-8-15(10-14)19-13(2)21/h5,7-8,10,12,16H,3-4,6,9,11H2,1-2H3,(H,19,21)(H,20,22)/t12-,16+/m1/s1
SMILES: C1=NC(=S)C2=C(N1)N(C=N2)C3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
InChI: InChI=1S/C10H13N4O7PS/c15-6-4(1-20-22(17,18)19)21-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)23/h2-4,6-7,10,15-16H,1H2,(H,11,12,23)(H2,17,18,19)/t4-,6-,7-,10?/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)[N+](=O)[O-])CO)F
InChI: InChI=1S/C9H10FN3O6/c10-4-1-7(19-6(4)3-14)12-2-5(13(17)18)8(15)11-9(12)16/h2,4,6-7,14H,1,3H2,(H,11,15,16)/t4-,6+,7+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H](N=C(N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC
InChI: InChI=1S/C24H24N2O3/c1-27-19-10-4-16(5-11-19)22-23(17-6-12-20(28-2)13-7-17)26-24(25-22)18-8-14-21(29-3)15-9-18/h4-15,22-23H,1-3H3,(H,25,26)/t22-,23-/m1/s1
SMILES: C1[C@@H]2[C@@H]3[C@@H]([C@H](C1=O)C4=CC=CC=C24)C(=O)N(C3=O)C5=NC=NN5
InChI: InChI=1S/C16H12N4O3/c21-10-5-9-7-3-1-2-4-8(7)11(10)13-12(9)14(22)20(15(13)23)16-17-6-18-19-16/h1-4,6,9,11-13H,5H2,(H,17,18,19)/t9-,11-,12+,13+/m0/s1
SMILES: CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O.CC1([C@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C
InChI: InChI=1S/C19H18ClN3O5S.C16H19N3O4S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23;1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t13-,14+,17-;9?,10-,11-,14-/m11/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]2[C@@H](N2N3C(=O)C4=CC=CC=C4C3=O)O1)OC(=O)C)OC(=O)C
InChI: InChI=1S/C20H20N2O9/c1-9(23)28-8-14-16(29-10(2)24)17(30-11(3)25)15-20(31-14)21(15)22-18(26)12-6-4-5-7-13(12)19(22)27/h4-7,14-17,20H,8H2,1-3H3/t14-,15-,16-,17-,20+,21?/m1/s1
SMILES: CCC(=O)C1=CC2=C(O1)C[C@@H]3CC[C@H]4[C@@H]5CC[C@@H]([C@]5(CC[C@@H]4[C@]3(C2)C)C)OC(=O)C
InChI: InChI=1S/C26H36O4/c1-5-21(28)23-12-16-14-26(4)17(13-22(16)30-23)6-7-18-19-8-9-24(29-15(2)27)25(19,3)11-10-20(18)26/h12,17-20,24H,5-11,13-14H2,1-4H3/t17-,18-,19-,20-,24-,25-,26-/m0/s1
SMILES: CCCC(=O)N1CC[C@@]2(CCCC[C@@H]2[C@H]1C3=CC(=C(C=C3)O)OC)O
InChI: InChI=1S/C20H29NO4/c1-3-6-18(23)21-12-11-20(24)10-5-4-7-15(20)19(21)14-8-9-16(22)17(13-14)25-2/h8-9,13,15,19,22,24H,3-7,10-12H2,1-2H3/t15-,19-,20-/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC(=C4)CN5C(=O)C6=CC=CC=C6C5=O)CN7CCC8=CC(=C(C=C8C7)OC)OC
InChI: InChI=1S/C45H44N2O7/c1-28-41(26-46-20-19-35-22-39(51-2)40(52-3)23-36(35)25-46)53-45(54-42(28)32-13-11-29(27-48)12-14-32)33-17-15-31(16-18-33)34-8-6-7-30(21-34)24-47-43(49)37-9-4-5-10-38(37)44(47)50/h4-18,21-23,28,41-42,45,48H,19-20,24-27H2,1-3H3/t28-,41+,42+,45+/m0/s1
SMILES: C1=CC=C(C=C1)N2[C@H]([C@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC=C(C=C4)Br)C5=C6C=CC=CC6=CC7=CC=CC=C75
InChI: InChI=1S/C31H21BrN2O3/c32-21-14-16-22(17-15-21)33-30(35)27-28(34(37-29(27)31(33)36)23-10-2-1-3-11-23)26-24-12-6-4-8-19(24)18-20-9-5-7-13-25(20)26/h1-18,27-29H/t27-,28-,29+/m0/s1
SMILES: C[C@@H]1[C@@H](C[C@H]([C@@H](O1)C2(C3=CC4=CC(=C(N4)C=C5C(=O)C(C(=N5)C=C6C(=CC(=CC(=N3)C2=O)N6)C)(C)[C@H]7[C@@H](C[C@H]([C@H](O7)C)O)OC(=O)C)C)C)O)O
InChI: InChI=1S/C38H44N4O9/c1-16-9-22-11-31-37(6,35-29(46)14-27(44)18(3)49-35)33(47)25(41-31)10-21-8-17(2)24(39-21)13-32-38(7,34(48)26(42-32)12-23(16)40-22)36-30(51-20(5)43)15-28(45)19(4)50-36/h8-13,18-19,27-30,35-36,39-40,44-46H,14-15H2,1-7H3/t18-,19-,27-,28-,29-,30-,35-,36-,37?,38?/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@@H](C1)OC[C@@H](CN2CCN(CC2)CC3=CC=CC=C3)O)C(C)C
InChI: InChI=1S/C24H40N2O2/c1-19(2)23-10-9-20(3)15-24(23)28-18-22(27)17-26-13-11-25(12-14-26)16-21-7-5-4-6-8-21/h4-8,19-20,22-24,27H,9-18H2,1-3H3/t20-,22+,23+,24+/m0/s1
SMILES: CS(=O)(=O)O[C@H]1C=C[P@](=O)(O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C32H31O7PS/c1-41(34,35)39-30-22-23-40(33,37-24-26-14-6-2-7-15-26)38-31(30)25-36-32(27-16-8-3-9-17-27,28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-23,30-31H,24-25H2,1H3/t30-,31+,40+/m0/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CC(=O)OCC(=O)N3CC(=O)NC4=CC=CC=C43
InChI: InChI=1S/C20H19N3O6/c24-16-9-22(15-8-4-3-7-14(15)21-16)17(25)11-29-18(26)10-23-19(27)12-5-1-2-6-13(12)20(23)28/h1-4,7-8,12-13H,5-6,9-11H2,(H,21,24)/t12-,13+
SMILES: C[C@H](CO)[C@H](C)/C=C/[C@@H](C)[C@H]1C[C@H]([C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)C)O
InChI: InChI=1S/C28H48O4/c1-16(18(3)15-29)6-7-17(2)22-14-25(32)26-20-13-24(31)23-12-19(30)8-10-27(23,4)21(20)9-11-28(22,26)5/h6-7,16-26,29-32H,8-15H2,1-5H3/b7-6+/t16-,17-,18-,19+,20-,21+,22-,23-,24+,25-,26-,27-,28-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)CC2=CC=C(C=C2)OC
InChI: InChI=1S/C19H27NO4/c1-13-6-4-5-7-17(13)20-19(22)14(2)24-18(21)12-15-8-10-16(23-3)11-9-15/h8-11,13-14,17H,4-7,12H2,1-3H3,(H,20,22)/t13-,14-,17+/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: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC(=C(C=C5)O)C)C(=O)N(C4=O)O
InChI: InChI=1S/C24H21NO6/c1-10-7-12(3-6-17(10)26)19-13-4-5-14-20(24(30)25(31)23(14)29)15(13)9-16-21(19)18(27)8-11(2)22(16)28/h3-4,6-8,14-15,19-20,26,31H,5,9H2,1-2H3/t14-,15+,19-,20-/m0/s1
SMILES: COC(=O)C1([C@@H]2[C@H]3[C@@H]4[C@H]1[C@@]5([C@H]6[C@@H]7[C@H]8C59[C@@H]4C([C@@H]3C91[C@@]2([C@H]([C@@H]7[C@H]1C8)C6Br)Br)(C(=O)OC)Br)Br)Br
InChI: InChI=1S/C24H21Br5O4/c1-32-17(30)19(26)13-8-9-14(19)22-5-3-4-6-7(5)11-12(25)10(6)23(28,21(4,13)22)15(8)20(27,18(31)33-2)16(9)24(11,22)29/h4-16H,3H2,1-2H3/t4-,5+,6-,7-,8+,9+,10-,11+,12?,13-,14+,15+,16-,19?,20?,21?,22?,23+,24-/m1/s1
SMILES: CC(C)[C@@H](C(=O)OC)NC(=O)N1C2=C(C=C(C=C2)C#CCN(C)CC3=CC=CC=C3)[C@]4(C1=O)[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC=C(C=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)O
InChI: InChI=1S/C53H52N4O10/c1-33(2)43(49(61)65-4)54-52(64)56-41-27-22-34(17-14-28-55(3)32-35-15-8-5-9-16-35)31-40(41)53(51(56)63)42(48(59)60)45-50(62)67-46(37-20-12-7-13-21-37)44(36-18-10-6-11-19-36)57(45)47(53)38-23-25-39(26-24-38)66-30-29-58/h5-13,15-16,18-27,31,33,42-47,58H,28-30,32H2,1-4H3,(H,54,64)(H,59,60)/t42-,43-,44-,45-,46+,47+,53-/m0/s1
SMILES: CC(=O)CCCC(=O)N(CC1=CC=C(C=C1)F)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)C=O)C(=O)NCCO
InChI: InChI=1S/C30H33FN2O8/c1-17(36)4-3-5-25(37)33(15-18-6-8-20(31)9-7-18)23-14-22(30(39)32-10-11-34)26-21-12-19(16-35)13-24(40-2)28(21)41-29(26)27(23)38/h6-9,12-14,16,23,26-27,29,34,38H,3-5,10-11,15H2,1-2H3,(H,32,39)/t23-,26+,27+,29+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CCC(=O)C[C@H]3C[C@@H](O[C@@H]3CO)N4C=C(C(=O)N(C4=O)COCC[Si](C)(C)C)C)OC(=O)C
InChI: InChI=1S/C31H46N4O11Si/c1-18-14-33(30(41)32-28(18)39)27-13-24(44-20(3)37)23(45-27)8-7-22(38)11-21-12-26(46-25(21)16-36)34-15-19(2)29(40)35(31(34)42)17-43-9-10-47(4,5)6/h14-15,21,23-27,36H,7-13,16-17H2,1-6H3,(H,32,39,41)/t21-,23+,24-,25+,26+,27+/m0/s1
SMILES: C1C=CC[C@H]([C@@H]1C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C(=O)[O-]
InChI: InChI=1S/C15H13ClF3NO3/c16-11-6-5-8(15(17,18)19)7-12(11)20-13(21)9-3-1-2-4-10(9)14(22)23/h1-2,5-7,9-10H,3-4H2,(H,20,21)(H,22,23)/p-1/t9-,10-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)COC(=O)CNC(=O)C2=CC=C(S2)C
InChI: InChI=1S/C18H26N2O4S/c1-11-5-4-6-14(13(11)3)20-16(21)10-24-17(22)9-19-18(23)15-8-7-12(2)25-15/h7-8,11,13-14H,4-6,9-10H2,1-3H3,(H,19,23)(H,20,21)/t11-,13-,14+/m0/s1
SMILES: CC1(O[C@@H]([C@@H](O1)/C=C/CCC(=O)OC)CO[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C18H34O5Si/c1-17(2,3)24(7,8)21-13-15-14(22-18(4,5)23-15)11-9-10-12-16(19)20-6/h9,11,14-15H,10,12-13H2,1-8H3/b11-9+/t14-,15+/m0/s1
SMILES: C[C@@]12CC[C@@H]([C@H]3[C@@H]1[C@@H]([C@H]([C@@H]3O)C2=C)O)C(C)(C)O
InChI: InChI=1S/C15H24O3/c1-7-9-12(16)10-8(14(2,3)18)5-6-15(7,4)11(10)13(9)17/h8-13,16-18H,1,5-6H2,2-4H3/t8-,9-,10-,11+,12-,13+,15-/m0/s1
SMILES: C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@H]3CC[C@]4([C@@H](C3)CC[C@@H]5[C@@H]4C[C@H]([C@]6([C@@]5(CC[C@@H]6C7=CC(=O)OC7)O)C)O)C)C)O)O
InChI: InChI=1S/C35H54O11/c1-17-31(40)25(36)14-30(43-17)46-32-18(2)44-29(15-26(32)37)45-21-7-9-33(3)20(12-21)5-6-23-24(33)13-27(38)34(4)22(8-10-35(23,34)41)19-11-28(39)42-16-19/h11,17-18,20-27,29-32,36-38,40-41H,5-10,12-16H2,1-4H3/t17-,18-,20-,21+,22-,23-,24+,25+,26+,27-,29+,30+,31-,32-,33+,34+,35+/m1/s1
SMILES: CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)N)NC(=O)C
InChI: InChI=1S/C11H22N2O5/c1-3-4-17-11-9(13-6(2)15)8(12)10(16)7(5-14)18-11/h7-11,14,16H,3-5,12H2,1-2H3,(H,13,15)/t7-,8-,9-,10-,11-/m1/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@H](C[C@H]2[C@@H]1CC(=C2)CCCCC(=O)OC)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C28H50O4Si/c1-8-9-10-14-23(32-33(6,7)28(2,3)4)16-17-24-25-19-21(18-22(25)20-26(24)29)13-11-12-15-27(30)31-5/h16-18,22-26,29H,8-15,19-20H2,1-7H3/b17-16+/t22-,23-,24+,25-,26-/m0/s1
SMILES: C1CC=C2[C@H](C1)[C@@H](C(C(=N)[C@H]2C#N)(C#N)C#N)C3=CC=CS3
InChI: InChI=1S/C17H14N4S/c18-8-13-11-4-1-2-5-12(11)15(14-6-3-7-22-14)17(9-19,10-20)16(13)21/h3-4,6-7,12-13,15,21H,1-2,5H2/t12-,13-,15+/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@]3(C(=C(C(=C([C@]2(C3=O)F)F)F)F)F)F
InChI: InChI=1S/C12H6F6O/c13-6-7(14)9(16)12(18)5-2-1-4(3-5)11(17,8(6)15)10(12)19/h1-2,4-5H,3H2/t4-,5+,11+,12-
SMILES: CN([C@@H]1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)CCN3CC7CC7)O)C(=O)/C=C/C8=COC=C8
InChI: InChI=1S/C34H40N2O11/c1-35(23(37)7-4-18-9-13-44-16-18)20-8-10-34(43)22-14-19-5-6-21(45-32-27(40)25(38)26(39)29(47-32)31(41)42)28-24(19)33(34,30(20)46-28)11-12-36(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,25-27,29-30,32,38-40,43H,2-3,8,10-12,14-15H2,1H3,(H,41,42)/b7-4+/t20-,22-,25+,26+,27-,29+,30+,32-,33+,34-/m1/s1
SMILES: C1C(C(=O)N(C1=O)CC2=CC=CC=C2)SCCC/C(=N/[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)/N
InChI: InChI=1S/C21H29N3O7S/c22-15(23-20-19(29)18(28)17(27)13(11-25)31-20)7-4-8-32-14-9-16(26)24(21(14)30)10-12-5-2-1-3-6-12/h1-3,5-6,13-14,17-20,25,27-29H,4,7-11H2,(H2,22,23)/t13-,14?,17+,18+,19-,20-/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=COC6=C(C5)C=C(C=C6)O)C(=O)N(C4=O)C7=CC(=CC=C7)[N+](=O)[O-])C(=O)N(C2=O)C8=CC=CC=C8
InChI: InChI=1S/C36H29N3O8/c1-36-28(33(42)38(35(36)44)21-6-3-2-4-7-21)17-27-25(31(36)20-14-19-15-24(40)10-13-29(19)47-18-20)11-12-26-30(27)34(43)37(32(26)41)22-8-5-9-23(16-22)39(45)46/h2-11,13,15-16,18,26-28,30-31,40H,12,14,17H2,1H3/t26-,27+,28-,30-,31-,36+/m0/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)N2CCC(CC2)N3CCCCC3)C4=CC5=C(C=C4)OCO5)CCOCCOCCO
InChI: InChI=1S/C31H46N2O8/c1-2-38-31-25(10-16-36-18-19-37-17-15-34)26(23-6-7-27-28(20-23)40-22-39-27)21-29(41-31)30(35)33-13-8-24(9-14-33)32-11-4-3-5-12-32/h6-7,20-21,24-26,31,34H,2-5,8-19,22H2,1H3/t25-,26+,31+/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@H]([C@@H]([C@@H]([C@H](O3)OCCCC(CBr)Br)OCC4=CC=CC=C4)O)OCC5=CC=CC=C5
InChI: InChI=1S/C41H50Br2O6Si/c1-41(2,3)50(34-22-12-6-13-23-34,35-24-14-7-15-25-35)48-30-36-38(46-28-31-17-8-4-9-18-31)37(44)39(47-29-32-19-10-5-11-20-32)40(49-36)45-26-16-21-33(43)27-42/h4-15,17-20,22-25,33,36-40,44H,16,21,26-30H2,1-3H3/t33?,36-,37+,38-,39+,40+/m1/s1
SMILES: CCCCC[C@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)O)O
InChI: InChI=1S/C15H24O4/c1-2-3-4-5-10(16)6-7-11-12-8-15(18)19-14(12)9-13(11)17/h6-7,10-14,16-17H,2-5,8-9H2,1H3/b7-6+/t10-,11-,12-,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)C4=CC=CC(=C4)CN)CSC5=CC=CC=N5
InChI: InChI=1S/C31H32N2O3S/c1-21-28(20-37-29-7-2-3-16-33-29)35-31(36-30(21)25-10-8-22(19-34)9-11-25)26-14-12-24(13-15-26)27-6-4-5-23(17-27)18-32/h2-17,21,28,30-31,34H,18-20,32H2,1H3/t21-,28+,30+,31+/m1/s1
SMILES: CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O.CS(=O)(=O)C1=CC=C(C=C1)C2=C(CC3(C2)CC3)C4=CC=C(C=C4)F
InChI: InChI=1S/C20H19FO2S.C16H25NO2/c1-24(22,23)17-8-4-15(5-9-17)19-13-20(10-11-20)12-18(19)14-2-6-16(21)7-3-14;1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h2-9H,10-13H2,1H3;6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t;14-,16+/m.1/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)N[C@@H](CC5=CC=CC=C5)C(=O)OC)CN(C)[C@@H](C)[C@@H](C6=CC=CC=C6)O
InChI: InChI=1S/C47H53N3O7/c1-31-42(29-50(3)32(2)43(52)36-15-9-6-10-16-36)56-46(57-44(31)37-21-19-34(30-51)20-22-37)38-25-23-35(24-26-38)40-18-12-11-17-39(40)28-48-47(54)49-41(45(53)55-4)27-33-13-7-5-8-14-33/h5-26,31-32,41-44,46,51-52H,27-30H2,1-4H3,(H2,48,49,54)/t31-,32-,41-,42+,43-,44+,46+/m0/s1
SMILES: COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC)OCC(=O)O)N=[N+]=[N-])O
InChI: InChI=1S/C10H17N3O7/c1-17-3-5-8(16)7(12-13-11)9(10(18-2)20-5)19-4-6(14)15/h5,7-10,16H,3-4H2,1-2H3,(H,14,15)/t5-,7+,8-,9-,10-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)SC2=N/C(=C\C3=CC=C(C=C3)Cl)/C(=O)N2CC=C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C27H29ClN2O10S/c1-6-11-30-25(35)20(12-18-7-9-19(28)10-8-18)29-27(30)41-26-24(39-17(5)34)23(38-16(4)33)22(37-15(3)32)21(40-26)13-36-14(2)31/h6-10,12,21-24,26H,1,11,13H2,2-5H3/b20-12-/t21-,22+,23+,24-,26+/m1/s1
SMILES: C/C=C(\C)/C(=O)O[C@H]1CC[C@@]2([C@@H]3CC[C@@]4([C@@H]([C@H]3CC=C2C1)CC[C@H]4[C@@H](C)CCCC(C)C)C)C
InChI: InChI=1S/C32H52O2/c1-8-22(4)30(33)34-25-16-18-31(6)24(20-25)12-13-26-28-15-14-27(23(5)11-9-10-21(2)3)32(28,7)19-17-29(26)31/h8,12,21,23,25-29H,9-11,13-20H2,1-7H3/b22-8+/t23-,25-,26+,27-,28+,29+,31-,32-/m0/s1
SMILES: CC(C)(C)OC(=O)C[C@@H]([C@H]1[C@@H](O1)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)O
InChI: InChI=1S/C26H36O5Si/c1-25(2,3)31-23(28)17-21(27)24-22(30-24)18-29-32(26(4,5)6,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21-22,24,27H,17-18H2,1-6H3/t21-,22-,24-/m0/s1
SMILES: C[C@H]1C2C(C[C@@H]3[C@@]2(CC[C@H]4[C@H]3C/C(=N\N(C)C)/[C@@]5([C@@]4(CCC(C5)O)C)O)C)O[C@]16CCC(CO6)C
InChI: InChI=1S/C29H48N2O4/c1-17-7-12-29(34-16-17)18(2)25-23(35-29)14-22-20-13-24(30-31(5)6)28(33)15-19(32)8-11-27(28,4)21(20)9-10-26(22,25)3/h17-23,25,32-33H,7-16H2,1-6H3/b30-24+/t17?,18-,19?,20+,21-,22-,23?,25?,26-,27+,28-,29+/m0/s1
SMILES: C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5OC(=O)NC)C)C(=O)O3)O)C)\C)O[C@@H]1C(C)C
InChI: InChI=1S/C35H51NO8/c1-20(2)29-23(5)13-14-34(44-29)18-27-17-26(43-34)12-11-22(4)15-21(3)9-8-10-25-19-40-31-30(42-33(38)36-7)24(6)16-28(32(37)41-27)35(25,31)39/h8-11,16,20-21,23,26-31,39H,12-15,17-19H2,1-7H3,(H,36,38)/b9-8+,22-11+,25-10+/t21-,23-,26+,27-,28-,29+,30+,31+,34+,35+/m0/s1
SMILES: C[C@]12CC[C@@H](C1CC[C@@]3(C2CCC4[C@]3(C[C@@H](C5[C@@]4(CCCC5(C)C)C)O)C)C)C(C)(C)O
InChI: InChI=1S/C30H52O2/c1-25(2)14-9-15-28(6)23-11-10-22-27(5)16-12-19(26(3,4)32)20(27)13-17-29(22,7)30(23,8)18-21(31)24(25)28/h19-24,31-32H,9-18H2,1-8H3/t19-,20?,21-,22?,23?,24?,27-,28+,29+,30+/m0/s1
SMILES: CN(C)C(=O)CO[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC3=NC=CC(=N3)C4=CC=CC=C4
InChI: InChI=1S/C20H24N4O4/c1-24(2)17(25)12-26-16-11-28-18-15(10-27-19(16)18)23-20-21-9-8-14(22-20)13-6-4-3-5-7-13/h3-9,15-16,18-19H,10-12H2,1-2H3,(H,21,22,23)/t15-,16+,18+,19+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N/N=C/2\CC[C@@]3(C4CC[C@]5([C@H](C4[C@@H](CC3C2)O)CC[C@@H]5[C@H](C)CCCC(C)C)C)C
InChI: InChI=1S/C34H54N2O3S/c1-22(2)8-7-9-24(4)28-14-15-29-32-30(17-19-34(28,29)6)33(5)18-16-26(20-25(33)21-31(32)37)35-36-40(38,39)27-12-10-23(3)11-13-27/h10-13,22,24-25,28-32,36-37H,7-9,14-21H2,1-6H3/b35-26+/t24-,25?,28-,29+,30?,31-,32?,33+,34-/m1/s1
SMILES: CC1=N[C@H]2[C@H]3C1C(=O)O[C@H]3[C@H]4[C@H](O2)CO[Si](O4)(C(C)(C)C)C(C)(C)C
InChI: InChI=1S/C18H29NO5Si/c1-9-11-12-14(23-16(11)20)13-10(22-15(12)19-9)8-21-25(24-13,17(2,3)4)18(5,6)7/h10-15H,8H2,1-7H3/t10-,11?,12+,13-,14-,15-/m1/s1
SMILES: C[C@H]([C@@H]1[C@H](OC(O1)(C)C)[C@@H]2C=C(C(=O)O2)OC(=O)C)OC(=O)C
InChI: InChI=1S/C15H20O8/c1-7(19-8(2)16)12-13(23-15(4,5)22-12)10-6-11(14(18)21-10)20-9(3)17/h6-7,10,12-13H,1-5H3/t7-,10+,12-,13-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1N2C(=NN=C2SCC(=O)N3CCCCC3)C4=CC=C(C=C4)OC
InChI: InChI=1S/C23H32N4O2S/c1-17-8-4-5-9-20(17)27-22(18-10-12-19(29-2)13-11-18)24-25-23(27)30-16-21(28)26-14-6-3-7-15-26/h10-13,17,20H,3-9,14-16H2,1-2H3/t17-,20+/m0/s1
SMILES: CN1[C@@H]2C3(CCN([C@H]3[C@@H](N2C(=O)OC)CSCOCCOC)O)C4=CC=CC=C41
InChI: InChI=1S/C20H29N3O5S/c1-21-15-7-5-4-6-14(15)20-8-9-22(25)17(20)16(12-29-13-28-11-10-26-2)23(18(20)21)19(24)27-3/h4-7,16-18,25H,8-13H2,1-3H3/t16-,17-,18-,20?/m0/s1
SMILES: C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC=C(C=C3)Br)OC(=O)C4=CC=C(C=C4)Br)OC(=O)C5=CC=C(C=C5)Br)OC(O1)C6=CC=CC=C6
InChI: InChI=1S/C34H25Br3O9/c35-23-12-6-19(7-13-23)30(38)43-28-27-26(18-41-33(45-27)22-4-2-1-3-5-22)42-34(46-32(40)21-10-16-25(37)17-11-21)29(28)44-31(39)20-8-14-24(36)15-9-20/h1-17,26-29,33-34H,18H2/t26-,27-,28+,29-,33?,34+/m1/s1
SMILES: CC(C)[Si]1(OC[C@@H]2[C@H]([C@@H]([C@@H](O2)N3C=CC(=O)NC3=O)OC(=O)CCC(=O)O)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C25H42N2O10Si2/c1-14(2)38(15(3)4)33-13-18-22(36-39(37-38,16(5)6)17(7)8)23(35-21(31)10-9-20(29)30)24(34-18)27-12-11-19(28)26-25(27)32/h11-12,14-18,22-24H,9-10,13H2,1-8H3,(H,29,30)(H,26,28,32)/t18-,22-,23+,24-/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)/N=C\C4=CC(=CC=C4)O
InChI: InChI=1S/C16H14N2O3/c19-12-3-1-2-9(6-12)8-17-18-15(20)13-10-4-5-11(7-10)14(13)16(18)21/h1-6,8,10-11,13-14,19H,7H2/b17-8-/t10-,11+,13-,14+
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4(C3CC[C@@H]4C5CC(=O)OC5)C)O
InChI: InChI=1S/C23H34O3/c1-22-9-7-16(24)12-15(22)3-4-17-19-6-5-18(14-11-21(25)26-13-14)23(19,2)10-8-20(17)22/h3,14,16-20,24H,4-13H2,1-2H3/t14?,16-,17-,18+,19?,20-,22-,23+/m0/s1
SMILES: CCCCCC1(O[C@H]2[C@H]3C[C@]4([C@@H]([C@H]2O1)ON([C@H]4C(=O)O3)CC5=CC=CC=C5C=CC(=O)OCC(F)(F)F)C(=O)NCCC(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCCCC
InChI: InChI=1S/C44H62F3N3O12/c1-6-8-12-21-42(22-13-9-7-2)60-35-31-24-43(40(56)48-23-20-32(52)49-30(26-51)17-19-34(54)59-41(3,4)5)37(39(55)58-31)50(62-38(43)36(35)61-42)25-29-15-11-10-14-28(29)16-18-33(53)57-27-44(45,46)47/h10-11,14-16,18,30-31,35-38,51H,6-9,12-13,17,19-27H2,1-5H3,(H,48,56)(H,49,52)/t30-,31+,35-,36-,37-,38+,43-/m0/s1
SMILES: COC(=O)[C@H]1[C@@H]2[C@H](C(=O)N(C2=O)C3=CC=C(C=C3)Cl)C(N1)(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
InChI: InChI=1S/C26H19ClF2N2O4/c1-35-25(34)22-20-21(24(33)31(23(20)32)19-12-6-16(27)7-13-19)26(30-22,14-2-8-17(28)9-3-14)15-4-10-18(29)11-5-15/h2-13,20-22,30H,1H3/t20-,21+,22+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N)O
InChI: InChI=1S/C19H30N6O7/c1-8-7-25(19(31)24-15(8)27)14-5-12(26)13(32-14)6-21-17(29)10(3)23-18(30)11(4)22-16(28)9(2)20/h7,9-14,26H,5-6,20H2,1-4H3,(H,21,29)(H,22,28)(H,23,30)(H,24,27,31)/t9-,10-,11-,12-,13+,14+/m0/s1
SMILES: C/C=C(/[C@H]1[C@@H](N1S(=O)(=O)C2=C(C(=C(C=C2C)OC)C)C)CC3=CC=CC=C3)\C4=CC=CC=C4
InChI: InChI=1S/C28H31NO3S/c1-6-24(23-15-11-8-12-16-23)27-25(18-22-13-9-7-10-14-22)29(27)33(30,31)28-19(2)17-26(32-5)20(3)21(28)4/h6-17,25,27H,18H2,1-5H3/b24-6+/t25-,27-,29?/m0/s1
SMILES: CN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4.COC1=C(C=C(C=C1)C2=NC=CS2)CN[C@H]3CCCN[C@H]3C4=CC=CC=C4
InChI: InChI=1S/C22H25N3OS.C22H26N2O2S/c1-26-20-10-9-17(22-24-12-13-27-22)14-18(20)15-25-19-8-5-11-23-21(19)16-6-3-2-4-7-16;1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,6-7,9-10,12-14,19,21,23,25H,5,8,11,15H2,1H3;2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3/t19-,21-;19-/m01/s1
SMILES: C[C@H](CC[C@H](C(=C)C)OC1CCCCO1)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C
InChI: InChI=1S/C34H54O4/c1-22(2)31(38-32-9-7-8-20-36-32)15-10-23(3)28-13-14-29-27-12-11-25-21-26(37-24(4)35)16-18-33(25,5)30(27)17-19-34(28,29)6/h11,23,26-32H,1,7-10,12-21H2,2-6H3/t23-,26+,27+,28-,29+,30+,31-,32?,33+,34-/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CC3=CC=C(C=C3)O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C41H42O6/c42-36-23-21-31(22-24-36)25-37-39(44-27-33-15-7-2-8-16-33)41(46-29-35-19-11-4-12-20-35)40(45-28-34-17-9-3-10-18-34)38(47-37)30-43-26-32-13-5-1-6-14-32/h1-24,37-42H,25-30H2/t37-,38+,39-,40+,41+/m0/s1
SMILES: CC[C@H](C)C(=O)O[C@@H](C[C@]1([C@@H](C[C@@H]([C@@]2([C@@H]1CCC[C@]23CO3)CO)OC(=O)C)C)C)C4=CC(=O)OC4
InChI: InChI=1S/C27H40O8/c1-6-16(2)24(31)35-20(19-11-23(30)32-13-19)12-25(5)17(3)10-22(34-18(4)29)27(14-28)21(25)8-7-9-26(27)15-33-26/h11,16-17,20-22,28H,6-10,12-15H2,1-5H3/t16-,17+,20-,21+,22-,25-,26-,27-/m0/s1
SMILES: C[C@]12CC[C@H](C1(C)C)CC23O[C@@H]4[C@@H](O3)[C@@H]([C@H]([C@@H]([C@@H]4OCC5=CC=CC=C5)O)OCC6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C37H44O6/c1-35(2)28-19-20-36(35,3)37(21-28)42-33-31(40-23-26-15-9-5-10-16-26)29(38)30(39-22-25-13-7-4-8-14-25)32(34(33)43-37)41-24-27-17-11-6-12-18-27/h4-18,28-34,38H,19-24H2,1-3H3/t28-,29-,30-,31-,32+,33-,34-,36-,37?/m0/s1
SMILES: C1CC[NH+]2CCC[C@H]([C@H]2C1)COC(=O)NS(=O)(=O)OC3=CC=CC=C3F
InChI: InChI=1S/C17H23FN2O5S/c18-14-7-1-2-9-16(14)25-26(22,23)19-17(21)24-12-13-6-5-11-20-10-4-3-8-15(13)20/h1-2,7,9,13,15H,3-6,8,10-12H2,(H,19,21)/p+1/t13-,15+/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]\4([C@@H]3CC/C4=N\NC(=S)N)C)O
InChI: InChI=1S/C20H33N3OS/c1-19-9-7-13(24)11-12(19)3-4-14-15-5-6-17(22-23-18(21)25)20(15,2)10-8-16(14)19/h12-16,24H,3-11H2,1-2H3,(H3,21,23,25)/b22-17+/t12-,13-,14-,15+,16-,19-,20-/m0/s1
SMILES: C[C@]12[C@@H](N(O[C@@H]1C(=O)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)OC
InChI: InChI=1S/C25H22N2O4/c1-25-21(17-13-15-20(30-2)16-14-17)27(19-11-7-4-8-12-19)31-22(25)23(28)26(24(25)29)18-9-5-3-6-10-18/h3-16,21-22H,1-2H3/t21-,22+,25-/m0/s1
SMILES: CCN1C=[N+]([C@H]([C@H]1C2=C(C=C(C=C2)O)Cl)C3=C(C=C(C=C3)O)Cl)CC
InChI: InChI=1S/C19H20Cl2N2O2/c1-3-22-11-23(4-2)19(15-8-6-13(25)10-17(15)21)18(22)14-7-5-12(24)9-16(14)20/h5-11,18-19H,3-4H2,1-2H3,(H-,24,25)/p+1/t18-,19+
SMILES: COC(=O)C1=CC=C(C=C1)[C@H]2[C@@H]3CN(CC=C3C(C(=C2C#N)N)(C#N)C#N)CC4=CC=CC=C4
InChI: InChI=1S/C27H23N5O2/c1-34-26(33)20-9-7-19(8-10-20)24-21(13-28)25(31)27(16-29,17-30)23-11-12-32(15-22(23)24)14-18-5-3-2-4-6-18/h2-11,22,24H,12,14-15,31H2,1H3/t22-,24-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC(=C(C=C4)C)C
InChI: InChI=1S/C23H27N3O2S/c1-14-8-9-17(10-16(14)3)18-12-29-22-21(18)23(28)26(13-24-22)11-20(27)25-19-7-5-4-6-15(19)2/h8-10,12-13,15,19H,4-7,11H2,1-3H3,(H,25,27)/t15-,19-/m1/s1
SMILES: CCOC(=O)[C@H]1[C@@H]([C@@H]2COC3=CC=CC=C3[C@@H]2N1CC4=CC=CC=C4)C(=O)OC
InChI: InChI=1S/C23H25NO5/c1-3-28-23(26)21-19(22(25)27-2)17-14-29-18-12-8-7-11-16(18)20(17)24(21)13-15-9-5-4-6-10-15/h4-12,17,19-21H,3,13-14H2,1-2H3/t17-,19+,20-,21+/m0/s1
SMILES: CCCC(=O)/C=C/C1=CC2=C(C=C1)NC3=C2CN4C[C@@H](C[C@@]3(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)C=C(C4)CC
InChI: InChI=1S/C51H62N4O9/c1-9-13-34(57)16-14-32-15-17-39-35(23-32)36-29-54-27-31(10-2)22-33(28-54)26-50(42(36)52-39,46(58)62-7)38-24-37-40(25-41(38)61-6)53(5)44-49(37)19-21-55-20-12-18-48(11-3,43(49)55)45(64-30(4)56)51(44,60)47(59)63-8/h12,14-18,22-25,33,43-45,52,60H,9-11,13,19-21,26-29H2,1-8H3/b16-14+/t33-,43+,44-,45-,48-,49-,50+,51+/m1/s1
SMILES: C[C@@H]1/C=C(\CCC(=O)/C=C/CC/C=C/[C@@H]([C@H]1O)OC)/C
InChI: InChI=1S/C17H26O3/c1-13-10-11-15(18)8-6-4-5-7-9-16(20-3)17(19)14(2)12-13/h6-9,12,14,16-17,19H,4-5,10-11H2,1-3H3/b8-6+,9-7+,13-12-/t14-,16+,17+/m1/s1
SMILES: C1[C@H]([C@@H]1NC(=O)OCC2=CC=CC=C2)C3=CN(C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5
InChI: InChI=1S/C25H22N2O4S/c28-25(31-17-18-9-3-1-4-10-18)26-23-15-21(23)22-16-27(24-14-8-7-13-20(22)24)32(29,30)19-11-5-2-6-12-19/h1-14,16,21,23H,15,17H2,(H,26,28)/t21-,23+/m0/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)Br
InChI: InChI=1S/C27H20BrNO4/c1-2-33-26(32)15-11-13-16(14-12-15)29-24(30)22-21-17-7-3-5-9-19(17)27(28,23(22)25(29)31)20-10-6-4-8-18(20)21/h3-14,21-23H,2H2,1H3/t21?,22-,23-,27?/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CSC2=NC=NC3=CC=CC=C32
InChI: InChI=1S/C18H22N4O2S/c1-12-6-2-4-8-14(12)21-18(24)22-16(23)10-25-17-13-7-3-5-9-15(13)19-11-20-17/h3,5,7,9,11-12,14H,2,4,6,8,10H2,1H3,(H2,21,22,23,24)/t12-,14-/m1/s1
SMILES: C1=NC2C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
InChI: InChI=1S/C10H16N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-7,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,4?,5-,6-,7?,9-/m1/s1