EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC1=CC=CC(=C1)C(=O)[C@@H]2[C@H](C3([C@H]4N2C5=CC=CC=C5C=C4)C(=O)C6=CC=CC=C6C3=O)C7=CC=C(C=C7)Cl
InChI: InChI=1S/C34H24ClNO4/c1-40-24-9-6-8-22(19-24)31(37)30-29(21-13-16-23(35)17-14-21)34(32(38)25-10-3-4-11-26(25)33(34)39)28-18-15-20-7-2-5-12-27(20)36(28)30/h2-19,28-30H,1H3/t28-,29+,30-/m0/s1
SMILES: CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCCCCCN)OCC2=CC=CC=N2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C32H42N2O6/c1-35-32-31(38-22-26-15-7-3-8-16-26)30(37-21-25-13-5-2-6-14-25)29(39-23-27-17-9-11-19-34-27)28(40-32)24-36-20-12-4-10-18-33/h2-3,5-9,11,13-17,19,28-32H,4,10,12,18,20-24,33H2,1H3/t28-,29-,30+,31-,32-/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]([C@H]2C(=O)O)C(=O)NCCC3=CC(=CC=C3)Cl
InChI: InChI=1S/C17H20ClNO3/c18-13-3-1-2-10(8-13)6-7-19-16(20)14-11-4-5-12(9-11)15(14)17(21)22/h1-3,8,11-12,14-15H,4-7,9H2,(H,19,20)(H,21,22)/t11-,12+,14-,15+/m1/s1
SMILES: C[C@H]1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=C(C=CC(=C3)Cl)Cl
InChI: InChI=1S/C15H15Cl2NO2/c1-8-2-4-10-11(6-8)15(20)18(14(10)19)13-7-9(16)3-5-12(13)17/h3,5,7-8,10-11H,2,4,6H2,1H3/t8-,10-,11+/m0/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC[C@H]([C@H]2CC(=O)NCC3=CC=C(C=C3)OC)O)(C)CO)OC(=O)NC4=CC=CC(=C4)C(F)(F)F
InChI: InChI=1S/C31H39F3N2O6/c1-29-14-13-26(42-28(40)36-21-6-4-5-20(15-21)31(32,33)34)30(2,18-37)25(29)12-11-24(38)23(29)16-27(39)35-17-19-7-9-22(41-3)10-8-19/h4-10,15,23-26,37-38H,11-14,16-18H2,1-3H3,(H,35,39)(H,36,40)/t23-,24-,25+,26-,29+,30+/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@@H](C1(C)C)CCC(=C)[C@@H]2COC3=CC4=C(C=C3)C=CC(=O)O4)C
InChI: InChI=1S/C26H32O5/c1-16-6-10-22-25(3,4)23(30-17(2)27)12-13-26(22,5)20(16)15-29-19-9-7-18-8-11-24(28)31-21(18)14-19/h7-9,11,14,20,22-23H,1,6,10,12-13,15H2,2-5H3/t20-,22+,23-,26-/m0/s1
SMILES: CCCCCCCCC[C@@H]1C[C@@H]([C@@H](N1C(=O)OC(C)(C)C)CC2=CC=CC=C2)OS(=O)(=O)C
InChI: InChI=1S/C26H43NO5S/c1-6-7-8-9-10-11-15-18-22-20-24(32-33(5,29)30)23(19-21-16-13-12-14-17-21)27(22)25(28)31-26(2,3)4/h12-14,16-17,22-24H,6-11,15,18-20H2,1-5H3/t22-,23+,24+/m1/s1
SMILES: C1CN(C[C@H]([C@@H]1NC(=O)COC2=CC(=CC=C2)Cl)F)CC3=CN(C=C3)C4=CC=C(C=C4)C(F)(F)F
InChI: InChI=1S/C25H24ClF4N3O2/c26-19-2-1-3-21(12-19)35-16-24(34)31-23-9-10-32(15-22(23)27)13-17-8-11-33(14-17)20-6-4-18(5-7-20)25(28,29)30/h1-8,11-12,14,22-23H,9-10,13,15-16H2,(H,31,34)/t22-,23-/m1/s1
SMILES: CC(C)(C)C(=O)C[C@@H]1CC[C@H]([C@H]2N1C[C@H]([C@H]2O)O)O
InChI: InChI=1S/C14H25NO4/c1-14(2,3)11(18)6-8-4-5-9(16)12-13(19)10(17)7-15(8)12/h8-10,12-13,16-17,19H,4-7H2,1-3H3/t8-,9+,10+,12+,13+/m0/s1
SMILES: C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)CCNC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)[O-]
InChI: InChI=1S/C17H17N3O6/c21-15-11-3-1-2-4-12(11)16(22)19(15)8-7-18-14-6-5-10(20(25)26)9-13(14)17(23)24/h1-2,5-6,9,11-12,18H,3-4,7-8H2,(H,23,24)/p-1/t11-,12-/m1/s1
SMILES: CC1(O[C@@H]([C@@H](O1)[C@@H](CC=C)OC(=O)C=C)C2=CC=CC=C2)C
InChI: InChI=1S/C18H22O4/c1-5-10-14(20-15(19)6-2)17-16(21-18(3,4)22-17)13-11-8-7-9-12-13/h5-9,11-12,14,16-17H,1-2,10H2,3-4H3/t14-,16-,17+/m1/s1
SMILES: COC1=C(C=C(C=C1)[C@@H]2[C@@H]3CCC4=CC=CC=C4C3=NC5=CC=CC=C5S2)OC
InChI: InChI=1S/C25H23NO2S/c1-27-21-14-12-17(15-22(21)28-2)25-19-13-11-16-7-3-4-8-18(16)24(19)26-20-9-5-6-10-23(20)29-25/h3-10,12,14-15,19,25H,11,13H2,1-2H3/t19-,25-/m1/s1
SMILES: C[C@H]([C@@H]1[C@H]2[C@@H]3[C@@H](CC(=O)O3)[C@@H](N2C1=O)C(=O)O)O
InChI: InChI=1S/C11H13NO6/c1-3(13)6-8-9-4(2-5(14)18-9)7(11(16)17)12(8)10(6)15/h3-4,6-9,13H,2H2,1H3,(H,16,17)/t3-,4+,6-,7-,8+,9+/m1/s1
SMILES: CCCOP(=S)(C1=CC=CC=C1)O.C1[C@H]([C@H](C2=CC=CC=C21)O)N
InChI: InChI=1S/C9H11NO.C9H13O2PS/c10-8-5-6-3-1-2-4-7(6)9(8)11;1-2-8-11-12(10,13)9-6-4-3-5-7-9/h1-4,8-9,11H,5,10H2;3-7H,2,8H2,1H3,(H,10,13)/t8-,9+;/m1./s1
SMILES: C[C@@]12CC[C@@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC(=O)O)CCC4=CC(=O)CC[C@]34C
InChI: InChI=1S/C23H32O5/c1-22-11-9-15(24)13-14(22)3-4-16-17-5-6-19(23(17,2)12-10-18(16)22)28-21(27)8-7-20(25)26/h13,16-19H,3-12H2,1-2H3,(H,25,26)/t16-,17-,18+,19-,22-,23+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CC3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C17H18Cl2N2O3/c1-10-4-2-3-5-14(10)21-16(23)15(22)20(17(21)24)9-11-6-7-12(18)8-13(11)19/h6-8,10,14H,2-5,9H2,1H3/t10-,14-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)SC2=CC=CC=C2)OC)OC(=O)N)OC
InChI: InChI=1S/C15H21NO5S/c1-9-11(18-2)12(21-15(16)17)13(19-3)14(20-9)22-10-7-5-4-6-8-10/h4-9,11-14H,1-3H3,(H2,16,17)/t9-,11-,12+,13+,14-/m0/s1
SMILES: CCOP(=O)(C(=O)[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]1CC(CC2)(C)C)C)OCC
InChI: InChI=1S/C36H59O6P/c1-11-40-43(39,41-12-2)30(38)36-21-19-31(4,5)23-26(36)25-13-14-28-33(8)17-16-29(42-24(3)37)32(6,7)27(33)15-18-35(28,10)34(25,9)20-22-36/h13,26-29H,11-12,14-23H2,1-10H3/t26-,27-,28+,29-,33-,34+,35+,36-/m0/s1
SMILES: C1C[C@H]2C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4CCC(CC4)C(=O)OCC(=O)C5=C(C=C(C=C5)Cl)Cl
InChI: InChI=1S/C24H25Cl2NO5/c25-15-5-8-17(18(26)10-15)19(28)11-32-24(31)12-3-6-16(7-4-12)27-22(29)20-13-1-2-14(9-13)21(20)23(27)30/h5,8,10,12-14,16,20-21H,1-4,6-7,9,11H2/t12?,13-,14-,16?,20-,21-/m0/s1
SMILES: C[C@H]1[C@@H]2[C@H](CC(O1)O[C@@H]3[C@@H](O[C@H](C[C@@H]3N(C)C)C4C[C@@]([C@@H](C5=CC6=C(C(=C45)O)C(=O)C7=C(C6=O)C(=CC=C7)O)C(=O)OC)(C)O)C)O[C@H]8CC(=O)[C@@H](O[C@H]8O2)C
InChI: InChI=1S/C41H49NO14/c1-16-25(44)13-28-40(53-16)56-38-18(3)52-29(14-27(38)54-28)55-37-17(2)51-26(12-23(37)42(5)6)22-15-41(4,49)33(39(48)50-7)20-11-21-32(36(47)30(20)22)34(45)19-9-8-10-24(43)31(19)35(21)46/h8-11,16-18,22-23,26-29,33,37-38,40,43,47,49H,12-15H2,1-7H3/t16-,17-,18-,22?,23-,26+,27-,28-,29?,33-,37+,38+,40-,41+/m0/s1
SMILES: CCOC1=CC=CC=C1[C@H]2[C@@H](C(=O)NC(=C2C#N)SCC(=O)OC)C(=O)OC
InChI: InChI=1S/C19H20N2O6S/c1-4-27-13-8-6-5-7-11(13)15-12(9-20)18(28-10-14(22)25-2)21-17(23)16(15)19(24)26-3/h5-8,15-16H,4,10H2,1-3H3,(H,21,23)/t15-,16+/m1/s1
SMILES: C[C@H]1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=CC(=C3)C4=NC5=CC=CC=C5C(=C4)C(=O)[O-]
InChI: InChI=1S/C25H22N2O4/c1-14-9-10-18-19(11-14)24(29)27(23(18)28)16-6-4-5-15(12-16)22-13-20(25(30)31)17-7-2-3-8-21(17)26-22/h2-8,12-14,18-19H,9-11H2,1H3,(H,30,31)/p-1/t14-,18-,19+/m0/s1
SMILES: C1[C@H]2[C@@H](C(S1)CCCCC(=O)NCCCCCC(=O)NCC#CC3=NN(C4=NC=NC(=C34)N)[C@@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)N2
InChI: InChI=1S/C29H41N9O7S/c30-26-22-16(37-38(27(22)34-15-33-26)28-25(43)24(42)18(13-39)45-28)7-6-12-32-20(40)9-2-1-5-11-31-21(41)10-4-3-8-19-23-17(14-46-19)35-29(44)36-23/h15,17-19,23-25,28,39,42-43H,1-5,8-14H2,(H,31,41)(H,32,40)(H2,30,33,34)(H2,35,36,44)/t17-,18+,19?,23-,24+,25+,28-/m0/s1
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)OC(=O)OCC(Cl)(Cl)Cl)S(=O)(=O)C1)C(=O)OC(C)(C)C
InChI: InChI=1S/C17H20Cl3NO10S/c1-8(22)28-5-9-6-32(26,27)13-11(30-15(25)29-7-17(18,19)20)12(23)21(13)10(9)14(24)31-16(2,3)4/h11,13H,5-7H2,1-4H3/t11-,13-/m1/s1
SMILES: C1=COC(=C1)[C@@H]2[C@@H]([C@H]([C@H]2C(=O)O)C(=O)O)C3=CC=CO3
InChI: InChI=1S/C14H12O6/c15-13(16)11-9(7-3-1-5-19-7)10(12(11)14(17)18)8-4-2-6-20-8/h1-6,9-12H,(H,15,16)(H,17,18)/t9-,10+,11+,12-
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)C
InChI: InChI=1S/C29H25Cl2FN2O5/c1-13-10-15(11-14(2)23(13)35)22-18-8-9-19-21(25(37)33(3)24(19)36)20(18)12-28(30)26(38)34(27(39)29(22,28)31)17-6-4-16(32)5-7-17/h4-8,10-11,19-22,35H,9,12H2,1-3H3/t19-,20+,21-,22-,28+,29-/m0/s1
SMILES: C/C(=C\CC/C(=C/COC(=O)C)/C)/CC[C@H]1[C@](O1)(C)CBr
InChI: InChI=1S/C17H27BrO3/c1-13(8-9-16-17(4,12-18)21-16)6-5-7-14(2)10-11-20-15(3)19/h6,10,16H,5,7-9,11-12H2,1-4H3/b13-6+,14-10+/t16-,17-/m0/s1
SMILES: C1[C@H]2[C@@H]3[C@H]([C@@H]1C4C2C[C@H]5[C@@H]4O5)O3
InChI: InChI=1S/C10H12O2/c1-4-3-2-6-10(11-6)7(3)5(1)9-8(4)12-9/h3-10H,1-2H2/t3?,4-,5+,6+,7?,8-,9+,10+/m1/s1
SMILES: CCCC(=O)O[C@H]1CC[C@@]2([C@H]3C[C@H]([C@@H]4[C@H](CC[C@]4([C@@]3(C[C@@H]([C@H]2C1(C)C)OC(=O)CCC)C)C)[C@H](C)CCCC(C)C)OC(=O)CCC)C
InChI: InChI=1S/C42H72O6/c1-12-16-34(43)46-30-25-32-40(9)23-22-33(48-36(45)18-14-3)39(7,8)38(40)31(47-35(44)17-13-2)26-42(32,11)41(10)24-21-29(37(30)41)28(6)20-15-19-27(4)5/h27-33,37-38H,12-26H2,1-11H3/t28-,29-,30-,31+,32-,33+,37+,38+,40-,41-,42-/m1/s1
SMILES: C[C@@H]1CCC=C2[C@@]1([C@@H]([C@H]3[C@@H](C2)OC(=O)[C@H]3CN4CCN(CC4)C5=CC(=CC=C5)OC)O)C
InChI: InChI=1S/C26H36N2O4/c1-17-6-4-7-18-14-22-23(24(29)26(17,18)2)21(25(30)32-22)16-27-10-12-28(13-11-27)19-8-5-9-20(15-19)31-3/h5,7-9,15,17,21-24,29H,4,6,10-14,16H2,1-3H3/t17-,21+,22-,23-,24-,26-/m1/s1
SMILES: C1CC(=O)NC1COC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OCC(=O)O)/C4=CSC(=N4)N)SC2)C(=O)O
InChI: InChI=1S/C19H20N6O9S2/c20-19-22-8(5-36-19)12(24-34-4-11(27)28)15(29)23-13-16(30)25-14(18(31)32)9(6-35-17(13)25)33-3-7-1-2-10(26)21-7/h5,7,13,17H,1-4,6H2,(H2,20,22)(H,21,26)(H,23,29)(H,27,28)(H,31,32)/b24-12-/t7?,13-,17-/m1/s1
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P+](=O)O[P+](=O)O[P+](=O)O[P+](=O)O[P+](=O)OC[C@H]3[C@@H]([C@@H]([C@H](O3)N4C=CC(=O)NC4=O)O)O)O)O
InChI: InChI=1S/C18H20N4O21P5/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(38-15)5-36-44(31)40-46(33)42-48(35)43-47(34)41-45(32)37-6-8-12(26)14(28)16(39-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2/q+3/p+2/t7-,8+,11-,12+,13-,14+,15-,16+
SMILES: CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)[C@H]2C[C@@H]3CC[C@H]2C3
InChI: InChI=1S/C16H20N2O4S/c1-10(19)18-23(21,22)14-6-4-13(5-7-14)17-16(20)15-9-11-2-3-12(15)8-11/h4-7,11-12,15H,2-3,8-9H2,1H3,(H,17,20)(H,18,19)/t11-,12+,15+/m1/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CCCC(=O)NC3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C18H18Cl2N2O3/c19-11-7-8-15(14(20)10-11)21-16(23)6-3-9-22-17(24)12-4-1-2-5-13(12)18(22)25/h1-2,7-8,10,12-13H,3-6,9H2,(H,21,23)/t12-,13+
SMILES: CCCCCC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@H]2[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC2=O)CC(C)C)CC3=CC=CC=C3)CC(C)C)[C@@H](C)OC(C)(C)C)COC(C)(C)C)C
InChI: InChI=1S/C55H85N7O11/c1-14-15-18-27-44(63)56-41(30-37-23-19-16-20-24-37)50(67)61-45-35(6)72-53(70)43(32-71-54(8,9)10)60-52(69)46(36(7)73-55(11,12)13)62-49(66)40(29-34(4)5)57-48(65)42(31-38-25-21-17-22-26-38)58-47(64)39(28-33(2)3)59-51(45)68/h16-17,19-26,33-36,39-43,45-46H,14-15,18,27-32H2,1-13H3,(H,56,63)(H,57,65)(H,58,64)(H,59,68)(H,60,69)(H,61,67)(H,62,66)/t35-,36-,39-,40-,41-,42-,43+,45+,46+/m1/s1
SMILES: CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=C4C(=NC=C3)C=CC(=C4N(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)O)O
InChI: InChI=1S/C29H42N4O6/c1-8-17-16-32-14-12-18(17)15-21(32)25(35)19-11-13-30-20-9-10-22(34)24(23(19)20)33(27(37)39-29(5,6)7)31-26(36)38-28(2,3)4/h9-11,13,17-18,21,25,34-35H,8,12,14-16H2,1-7H3,(H,31,36)/t17-,18-,21+,25-/m0/s1
SMILES: CC1=CC(=C(C=C1Br)C)NC(=O)CCN2C(=O)[C@H]3[C@@H]4C[C@H]([C@H]3C2=O)C=C4
InChI: InChI=1S/C20H21BrN2O3/c1-10-8-15(11(2)7-14(10)21)22-16(24)5-6-23-19(25)17-12-3-4-13(9-12)18(17)20(23)26/h3-4,7-8,12-13,17-18H,5-6,9H2,1-2H3,(H,22,24)/t12-,13+,17-,18+
SMILES: CCO[C@H]1C[C@]2([C@@H](CC[C@@H]2O)[C@H]3[C@H]1C4=C(CC3)C=C(C=C4)O)C
InChI: InChI=1S/C20H28O3/c1-3-23-17-11-20(2)16(8-9-18(20)22)15-6-4-12-10-13(21)5-7-14(12)19(15)17/h5,7,10,15-19,21-22H,3-4,6,8-9,11H2,1-2H3/t15-,16-,17-,18-,19+,20-/m0/s1
SMILES: CCCN(C1CCN(CC1)C[C@H]2CC(C[C@@H]2C3=CC=CC=C3)NC(CC(C)C)C(=O)O)C(=O)OCC4=CC=C(C=C4)C(F)(F)F
InChI: InChI=1S/C35H48F3N3O4/c1-4-16-41(34(44)45-23-25-10-12-28(13-11-25)35(36,37)38)30-14-17-40(18-15-30)22-27-20-29(39-32(33(42)43)19-24(2)3)21-31(27)26-8-6-5-7-9-26/h5-13,24,27,29-32,39H,4,14-23H2,1-3H3,(H,42,43)/t27-,29?,31-,32?/m1/s1
SMILES: CCN(CC)C1=CC=C(C=C1)[C@H]2CC(=CC(=O)[C@@H]2C(=O)OCC)C3=CC=CS3
InChI: InChI=1S/C23H27NO3S/c1-4-24(5-2)18-11-9-16(10-12-18)19-14-17(21-8-7-13-28-21)15-20(25)22(19)23(26)27-6-3/h7-13,15,19,22H,4-6,14H2,1-3H3/t19-,22-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=CC(=C2N)C(=O)CCC(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C25H31NO13/c1-12(27)34-11-19-22(35-13(2)28)23(36-14(3)29)24(37-15(4)30)25(39-19)38-18-8-6-7-16(21(18)26)17(31)9-10-20(32)33-5/h6-8,19,22-25H,9-11,26H2,1-5H3/t19-,22-,23+,24-,25-/m1/s1
SMILES: CC(=C)[C@@H]1[C@@H]([C@H]2[C@@]3(O2)C(O1)CC[C@]4([C@]3(CCC5[C@@]4(C6=C7[C@H]5OC([C@H]8C[C@H]9[C@@]8(C1=C7C(=CC(=C1CC9=C)Cl)N6)O)(C)C)C)O)C)O
InChI: InChI=1S/C37H44ClNO6/c1-15(2)28-27(40)31-37(45-31)23(43-28)9-10-33(6)34(7)18(8-11-35(33,37)41)29-25-24-21(39-30(25)34)14-20(38)17-12-16(3)19-13-22(32(4,5)44-29)36(19,42)26(17)24/h14,18-19,22-23,27-29,31,39-42H,1,3,8-13H2,2,4-7H3/t18?,19-,22-,23?,27+,28-,29+,31+,33-,34-,35+,36-,37+/m1/s1
SMILES: C[C@@H]1C[C@@H](C2=C([C@H]1CO)[C@@](CC2(C)C)(C)CO)OC(=O)C
InChI: InChI=1S/C17H28O4/c1-10-6-13(21-11(2)20)15-14(12(10)7-18)17(5,9-19)8-16(15,3)4/h10,12-13,18-19H,6-9H2,1-5H3/t10-,12+,13+,17-/m1/s1
SMILES: C[Si](C)(C)CCOCO[C@H]1[C@H](N(C(=O)N([C@@H]([C@@H]1OCOCC[Si](C)(C)C)CC2=CC=CS2)CC3CC3)CC4CC4)CC5=CC=CS5
InChI: InChI=1S/C35H58N2O5S2Si2/c1-45(2,3)19-15-39-25-41-33-31(21-29-9-7-17-43-29)36(23-27-11-12-27)35(38)37(24-28-13-14-28)32(22-30-10-8-18-44-30)34(33)42-26-40-16-20-46(4,5)6/h7-10,17-18,27-28,31-34H,11-16,19-26H2,1-6H3/t31-,32-,33+,34+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2CC(=O)NC4CC5CCN4CC5)CC[C@@H]6[C@@]3(C=CC(=O)N6C)C
InChI: InChI=1S/C28H43N3O2/c1-27-12-8-22-20(5-7-23-28(22,2)13-9-26(33)30(23)3)21(27)6-4-19(27)17-25(32)29-24-16-18-10-14-31(24)15-11-18/h9,13,18-24H,4-8,10-12,14-17H2,1-3H3,(H,29,32)/t19-,20+,21+,22+,23-,24?,27-,28-/m1/s1
SMILES: CCOC[C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)C4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)OCC
InChI: InChI=1S/C26H44O5/c1-6-30-15-26(5,31-7-2)23-9-8-17-16-12-20(27)19-13-21(28)22(29)14-25(19,4)18(16)10-11-24(17,23)3/h16-19,21-23,28-29H,6-15H2,1-5H3/t16-,17-,18-,19?,21-,22+,23-,24-,25+,26-/m0/s1
SMILES: CCC1(CN(CCO1)[C@H]2C[C@]3([C@@H](CC[C@@H]4[C@@H]3C(=O)C[C@]5([C@H]4CC[C@@H]5C6(OCCO6)C)C)C[C@@H]2O)C)CC
InChI: InChI=1S/C31H51NO5/c1-6-31(7-2)19-32(12-13-37-31)23-17-28(3)20(16-24(23)33)8-9-21-22-10-11-26(30(5)35-14-15-36-30)29(22,4)18-25(34)27(21)28/h20-24,26-27,33H,6-19H2,1-5H3/t20-,21-,22-,23-,24-,26-,27+,28-,29-/m0/s1
SMILES: CC1=NC2=CC=CC(=C2C=C1)C3=NN=C(N3C)SCCCN4C[C@@H]5C[C@@]5(C4)C6=CC=C(C=C6)O
InChI: InChI=1S/C27H29N5OS/c1-18-7-12-22-23(5-3-6-24(22)28-18)25-29-30-26(31(25)2)34-14-4-13-32-16-20-15-27(20,17-32)19-8-10-21(33)11-9-19/h3,5-12,20,33H,4,13-17H2,1-2H3/t20-,27+/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=NC=NN5
InChI: InChI=1S/C28H30N4O5S2/c1-19-25(17-38-28-29-18-30-32-28)36-27(37-26(19)22-11-9-21(16-33)10-12-22)23-13-7-20(8-14-23)15-31-39(34,35)24-5-3-2-4-6-24/h2-14,18-19,25-27,31,33H,15-17H2,1H3,(H,29,30,32)/t19-,25+,26+,27+/m1/s1
SMILES: CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CCN3C(=O)[C@@H]4CC=CC[C@H]4C3=O
InChI: InChI=1S/C22H22N2O4S/c1-14-6-8-15(9-7-14)20-23-16(13-29-20)12-28-19(25)10-11-24-21(26)17-4-2-3-5-18(17)22(24)27/h2-3,6-9,13,17-18H,4-5,10-12H2,1H3/t17-,18-/m1/s1
SMILES: C1CC[C@@H]([C@@H](C1)C(=O)NC2=CC=C(C=C2)OCCC3=CC=CC=C3)C(=O)O
InChI: InChI=1S/C22H25NO4/c24-21(19-8-4-5-9-20(19)22(25)26)23-17-10-12-18(13-11-17)27-15-14-16-6-2-1-3-7-16/h1-3,6-7,10-13,19-20H,4-5,8-9,14-15H2,(H,23,24)(H,25,26)/t19-,20+/m1/s1
SMILES: CCCN([C@H]1CC(=NOC(C)(C)C)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC(=O)NCC5=CC=CC=C5)OCC=C)CCCCO)CCCCO)S(=O)(=O)C6=CC=C(C=C6)NC(=O)C
InChI: InChI=1S/C50H66N4O10S/c1-7-26-54(65(59,60)39-23-20-37(21-24-39)52-34(3)57)45-32-43(53-64-49(4,5)6)41-30-36(18-12-14-27-55)40(19-13-15-28-56)46-42-31-38(62-48(58)51-33-35-16-10-9-11-17-35)22-25-44(42)63-50(45,47(41)46)61-29-8-2/h8-11,16-17,20-25,30-31,36,40,45-47,55-56H,2,7,12-15,18-19,26-29,32-33H2,1,3-6H3,(H,51,58)(H,52,57)/t36-,40+,45-,46+,47+,50+/m0/s1
SMILES: CNCCC[C@]12C3=CC=CC=C3[C@H]([C@H](O1)C4=CC=CC=C24)O
InChI: InChI=1S/C19H21NO2/c1-20-12-6-11-19-15-9-4-2-7-13(15)17(21)18(22-19)14-8-3-5-10-16(14)19/h2-5,7-10,17-18,20-21H,6,11-12H2,1H3/t17-,18-,19-/m1/s1
SMILES: CC1=CC2=C(C=C1)N3[C@H](C=C2)C([C@@H]([C@H]3C(=O)C(C)(C)C)C4=CC=CC=C4)(C#N)C#N
InChI: InChI=1S/C26H25N3O/c1-17-10-12-20-19(14-17)11-13-21-26(15-27,16-28)22(18-8-6-5-7-9-18)23(29(20)21)24(30)25(2,3)4/h5-14,21-23H,1-4H3/t21-,22-,23+/m1/s1
SMILES: CC(C)(C)[C@H]1[C@@]2(C(=O)C3=CC=CC=C3[C@@](O2)([P@@]1OCC(=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C34H31O4P/c1-32(2,3)31-33(25-17-9-5-10-18-25)30(36)27-21-13-14-22-28(27)34(38-33,26-19-11-6-12-20-26)39(31)37-23-29(35)24-15-7-4-8-16-24/h4-22,31H,23H2,1-3H3/t31-,33-,34-,39+/m0/s1
SMILES: CC1([C@H](N2[C@@H](S1(=O)=O)[C@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C
InChI: InChI=1S/C16H18N2O6S/c1-16(2)12(15(21)22)18-13(20)11(14(18)25(16,23)24)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m0/s1
SMILES: COC1=CC=CC(=C1)NC(=O)COC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C20H24N2O6/c1-27-14-6-4-5-13(11-14)21-17(23)12-28-18(24)9-10-22-19(25)15-7-2-3-8-16(15)20(22)26/h4-6,11,15-16H,2-3,7-10,12H2,1H3,(H,21,23)/t15-,16-/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4
InChI: InChI=1S/C24H27N3O5S/c28-22(16-27-23(29)20-7-3-4-8-21(20)24(27)30)25-11-13-26(14-12-25)33(31,32)19-10-9-17-5-1-2-6-18(17)15-19/h1-2,5-6,9-10,15,20-21H,3-4,7-8,11-14,16H2/t20-,21-/m1/s1
SMILES: CC(=O)N[C@H]1[C@@](N=C(S1)C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI: InChI=1S/C17H16N2O2S/c1-12(20)18-16-17(21,14-10-6-3-7-11-14)19-15(22-16)13-8-4-2-5-9-13/h2-11,16,21H,1H3,(H,18,20)/t16-,17-/m1/s1
SMILES: C[C@H]1[C@H]([C@H]([C@H](CN1S(=O)(=O)C2=CC=CC=C2)N(C)C(=O)C3=CC=CC=C3)SS[C@H]4[C@H](CN([C@H]([C@H]4OC)C)S(=O)(=O)C5=CC=CC=C5)N(C)C(=O)C6=CC=CC=C6)OC
InChI: InChI=1S/C42H50N4O8S4/c1-29-37(53-5)39(35(43(3)41(47)31-19-11-7-12-20-31)27-45(29)57(49,50)33-23-15-9-16-24-33)55-56-40-36(44(4)42(48)32-21-13-8-14-22-32)28-46(30(2)38(40)54-6)58(51,52)34-25-17-10-18-26-34/h7-26,29-30,35-40H,27-28H2,1-6H3/t29-,30-,35-,36-,37+,38+,39-,40-/m0/s1
SMILES: CC(C)(C)OC(=O)N(C)[C@H]1[C@H]([C@H]([C@@H]([C@@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)CO
InChI: InChI=1S/C33H41NO6/c1-33(2,3)40-32(36)34(4)28-27(20-35)29(37-21-24-14-8-5-9-15-24)31(39-23-26-18-12-7-13-19-26)30(28)38-22-25-16-10-6-11-17-25/h5-19,27-31,35H,20-23H2,1-4H3/t27-,28+,29-,30-,31+/m1/s1
SMILES: CC1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@H]([C@H](O2)CO)CO)F
InChI: InChI=1S/C11H16FN3O4/c1-5-2-15(11(18)14-9(5)13)10-8(12)6(3-16)7(4-17)19-10/h2,6-8,10,16-17H,3-4H2,1H3,(H2,13,14,18)/t6-,7+,8-,10+/m0/s1
SMILES: C[C@@]1([C@@H]2[C@]1(C(=O)OC3=C2C4=CC=CC=C4C=C3)C(=O)N5CCOCC5)C(=O)C6=CC=CC=C6
InChI: InChI=1S/C27H23NO5/c1-26(23(29)18-8-3-2-4-9-18)22-21-19-10-6-5-7-17(19)11-12-20(21)33-25(31)27(22,26)24(30)28-13-15-32-16-14-28/h2-12,22H,13-16H2,1H3/t22-,26-,27-/m1/s1
SMILES: C[C@H](C#C[Si](C)(C)C)[C@@H]1CC2=C([C@]1(C3=CC(CCC3)(C)C)O)C=C(C=C2)OC
InChI: InChI=1S/C25H36O2Si/c1-18(12-14-28(5,6)7)22-15-19-10-11-21(27-4)16-23(19)25(22,26)20-9-8-13-24(2,3)17-20/h10-11,16-18,22,26H,8-9,13,15H2,1-7H3/t18-,22+,25-/m1/s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2C1=C)C)C(=O)O
InChI: InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18,21-24,31H,2,9-17H2,1,3-7H3,(H,32,33)/t18-,21?,22?,23+,24+,27+,28-,29-,30+/m1/s1
SMILES: CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@](N[C@@H]2C3=C(C=C(C=C3)OC)OC)(C)C(=O)OCC
InChI: InChI=1S/C20H26N2O6/c1-6-22-17(23)14-15(18(22)24)20(3,19(25)28-7-2)21-16(14)12-9-8-11(26-4)10-13(12)27-5/h8-10,14-16,21H,6-7H2,1-5H3/t14-,15+,16-,20-/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)O[C@@H]4[C@@]3(CC[C@H](C4)O)C)C)[C@H]([C@@H]([C@H](C)C(C)C)O)O
InChI: InChI=1S/C28H48O5/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)33-23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17+,18-,19+,20-,21+,22+,23+,25-,26-,27-,28-/m1/s1
SMILES: CCCCCCC[C@@H]1[C@@H](C(=O)O[C@H](C(=O)N([C@H]([C@@H](CC(=O)O1)OC(=O)[C@](C2=CC=CC=C2)(C(F)(F)F)OC)CC3=CC=CC=C3)C)C(C)C)C
InChI: InChI=1S/C38H50F3NO8/c1-7-8-9-10-17-22-30-26(4)35(45)50-33(25(2)3)34(44)42(5)29(23-27-18-13-11-14-19-27)31(24-32(43)48-30)49-36(46)37(47-6,38(39,40)41)28-20-15-12-16-21-28/h11-16,18-21,25-26,29-31,33H,7-10,17,22-24H2,1-6H3/t26-,29-,30+,31+,33-,37+/m0/s1
SMILES: C[C@@]1(CC(=O)[C@H]([C@H]([C@H]1C(=O)OC)C2=CC(=CC=C2)OC)C(=O)OC)O
InChI: InChI=1S/C18H22O7/c1-18(22)9-12(19)14(16(20)24-3)13(15(18)17(21)25-4)10-6-5-7-11(8-10)23-2/h5-8,13-15,22H,9H2,1-4H3/t13-,14-,15+,18+/m1/s1
SMILES: CC1=C(C2=C(N1)C=CC(=C2)OC(F)(F)F)CCNC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-]
InChI: InChI=1S/C20H23F3N2O4/c1-11-13(16-10-12(29-20(21,22)23)6-7-17(16)25-11)8-9-24-18(26)14-4-2-3-5-15(14)19(27)28/h6-7,10,14-15,25H,2-5,8-9H2,1H3,(H,24,26)(H,27,28)/p-1/t14-,15+/m1/s1
SMILES: C[C@H]1[C@@H]2CCN([C@H]1CC3=C2C=C(C=C3)N(C)C)CC4CC4
InChI: InChI=1S/C19H28N2/c1-13-17-8-9-21(12-14-4-5-14)19(13)10-15-6-7-16(20(2)3)11-18(15)17/h6-7,11,13-14,17,19H,4-5,8-10,12H2,1-3H3/t13-,17-,19-/m0/s1
SMILES: CCCC1=CC2=C(C(=C1)OC)O[C@H]([C@H](OC3=C2C=C(C=C3OC)CCC)C4=CC(=C(C=C4)O)OC)CO
InChI: InChI=1S/C30H36O7/c1-6-8-18-12-21-22-13-19(9-7-2)15-26(35-5)30(22)37-28(20-10-11-23(32)24(16-20)33-3)27(17-31)36-29(21)25(14-18)34-4/h10-16,27-28,31-32H,6-9,17H2,1-5H3/t27-,28+/m0/s1
SMILES: CC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=NN6C)C7=C(C8=C(S7)C=CC(=C8)Cl)C)C)C(=O)N(C4=O)CCCC(=O)O)O
InChI: InChI=1S/C39H37ClN4O7S/c1-18-7-5-8-23(33(18)47)32-21-11-12-22-31(37(50)43(35(22)48)14-6-9-30(45)46)25(21)16-26-36(49)44(38(51)39(26,32)3)29-17-27(41-42(29)4)34-19(2)24-15-20(40)10-13-28(24)52-34/h5,7-8,10-11,13,15,17,22,25-26,31-32,47H,6,9,12,14,16H2,1-4H3,(H,45,46)/t22-,25+,26-,31-,32+,39+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@]34C(=O)O
InChI: InChI=1S/C19H24O4/c1-18-8-7-15-13(14(18)4-5-16(18)21)3-2-11-10-12(20)6-9-19(11,15)17(22)23/h10,13-15H,2-9H2,1H3,(H,22,23)/t13-,14-,15-,18-,19+/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)C4=CN=CC=C4)CSC5=NC(=C(O5)C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C40H35N3O5S/c1-26-34(25-49-40-43-35(28-10-4-2-5-11-28)37(48-40)29-12-6-3-7-13-29)46-39(47-36(26)30-19-17-27(24-44)18-20-30)31-14-8-16-33(22-31)42-38(45)32-15-9-21-41-23-32/h2-23,26,34,36,39,44H,24-25H2,1H3,(H,42,45)/t26-,34+,36+,39+/m0/s1
SMILES: CCOC(=O)C1=NN([C@@H]2[C@H]1C(=O)N(C2=O)C3=CC=CC=C3OC)C4=CC=CC(=C4)C
InChI: InChI=1S/C22H21N3O5/c1-4-30-22(28)18-17-19(25(23-18)14-9-7-8-13(2)12-14)21(27)24(20(17)26)15-10-5-6-11-16(15)29-3/h5-12,17,19H,4H2,1-3H3/t17-,19+/m0/s1
SMILES: CC1=CC[C@@H]2[C@H](C1)[C@H]3C4=C(CCN3C2=O)C5=CC=CC=C5N4
InChI: InChI=1S/C19H20N2O/c1-11-6-7-14-15(10-11)18-17-13(8-9-21(18)19(14)22)12-4-2-3-5-16(12)20-17/h2-6,14-15,18,20H,7-10H2,1H3/t14-,15+,18+/m1/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@@H](C(=O)NC3=CC=CC=C3S2)CCCO)C
InChI: InChI=1S/C17H23NO4S/c1-17(2)21-10-13(22-17)15-11(6-5-9-19)16(20)18-12-7-3-4-8-14(12)23-15/h3-4,7-8,11,13,15,19H,5-6,9-10H2,1-2H3,(H,18,20)/t11-,13+,15-/m0/s1
SMILES: CCCCCCCCCCCCCCCCS(=O)(=O)CC(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2C[C@H]([C@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)CS(=O)(=O)CCCCCCCCCCCCCCCC
InChI: InChI=1S/C54H104O19S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-74(64,65)38-40(39-75(66,67)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-68-53-50(63)48(61)52(44(36-57)71-53)72-45-33-41(58)51(43(35-56)69-45)73-54-49(62)47(60)46(59)42(34-55)70-54/h40-63H,3-39H2,1-2H3/t41-,42-,43-,44-,45+,46+,47+,48-,49-,50-,51-,52-,53-,54-/m1/s1
SMILES: CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)CO)OCCCCO)NC(=O)C[C@@H](CCCCCCCCCCC)O
InChI: InChI=1S/C52H100NO14P/c1-4-7-10-13-16-19-20-23-26-29-32-37-47(58)64-44(36-31-28-25-22-18-15-12-9-6-3)41-48(59)66-51-49(53-46(57)40-43(56)35-30-27-24-21-17-14-11-8-5-2)52(63-39-34-33-38-54)65-45(42-55)50(51)67-68(60,61)62/h43-45,49-52,54-56H,4-42H2,1-3H3,(H,53,57)(H2,60,61,62)/t43-,44-,45-,49-,50-,51-,52-/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CCC[C@@H]2O[Si](C)(C)C(C)(C)C)C)[C@@H]([C@H]3C[C@@](C(=O)O3)(C)OCC4=CC=C(C=C4)OC)I
InChI: InChI=1S/C32H51IO5Si/c1-21(24-16-17-25-26(11-10-18-31(24,25)5)38-39(8,9)30(2,3)4)28(33)27-19-32(6,29(34)37-27)36-20-22-12-14-23(35-7)15-13-22/h12-15,21,24-28H,10-11,16-20H2,1-9H3/t21-,24+,25-,26-,27+,28-,31+,32+/m0/s1
SMILES: CC1(O[C@@H]2CN([C@H]([C@@H]2O1)CCCCO)C(=O)OCC3=CC=CC=C3)C
InChI: InChI=1S/C19H27NO5/c1-19(2)24-16-12-20(15(17(16)25-19)10-6-7-11-21)18(22)23-13-14-8-4-3-5-9-14/h3-5,8-9,15-17,21H,6-7,10-13H2,1-2H3/t15-,16+,17-/m0/s1
SMILES: COC1=CC(=CC2=C1O[C@H]3[C@@H]2C(=C[C@H]([C@@H]3O)N(CC4=CC=CC=C4F)C(=O)C5=CC=C(C=C5)C(F)(F)F)C(=O)NCCO)CO
InChI: InChI=1S/C32H30F4N2O7/c1-44-25-13-17(16-40)12-21-26-22(30(42)37-10-11-39)14-24(27(41)29(26)45-28(21)25)38(15-19-4-2-3-5-23(19)33)31(43)18-6-8-20(9-7-18)32(34,35)36/h2-9,12-14,24,26-27,29,39-41H,10-11,15-16H2,1H3,(H,37,42)/t24-,26+,27+,29+/m1/s1