EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=CC(=C5)Cl)O)C(=O)N(C4=O)C6=CC=C(C=C6)[N+](=O)[O-])C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C33H26ClN3O7/c1-33-25(30(40)36(32(33)42)18-5-3-2-4-6-18)16-23-21(28(33)24-15-17(34)7-14-26(24)38)12-13-22-27(23)31(41)35(29(22)39)19-8-10-20(11-9-19)37(43)44/h2-12,14-15,22-23,25,27-28,38H,13,16H2,1H3/t22-,23+,25-,27-,28+,33+/m0/s1
SMILES: CC1(CC(=O)[C@@H]2[C@H](N3C(=NC(=N3)SC)NC2=C1)C4=CNC=C4)C
InChI: InChI=1S/C16H19N5OS/c1-16(2)6-10-12(11(22)7-16)13(9-4-5-17-8-9)21-14(18-10)19-15(20-21)23-3/h4-6,8,12-13,17H,7H2,1-3H3,(H,18,19,20)/t12-,13-/m1/s1
SMILES: CC1=CC[C@@H]2[C@](C1)(C(=O)C(=O)N2C3=CC=C(C=C3)OC)C(=O)OC
InChI: InChI=1S/C18H19NO5/c1-11-4-9-14-18(10-11,17(22)24-3)15(20)16(21)19(14)12-5-7-13(23-2)8-6-12/h4-8,14H,9-10H2,1-3H3/t14-,18-/m1/s1
SMILES: CCCCCCCCCCCCNC(=O)OC1C(OC(C1OC(=O)NCCCCCCCCCCCC)N2C=CC(=O)NC2=O)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C41H72N4O13/c1-3-5-7-9-11-13-15-17-19-21-24-42-40(52)57-35-30(28-54-38-34(50)33(49)32(48)29(27-46)56-38)55-37(45-26-23-31(47)44-39(45)51)36(35)58-41(53)43-25-22-20-18-16-14-12-10-8-6-4-2/h23,26,29-30,32-38,46,48-50H,3-22,24-25,27-28H2,1-2H3,(H,42,52)(H,43,53)(H,44,47,51)/t29-,30?,32-,33+,34-,35?,36?,37?,38-/m1/s1
SMILES: CCOC(=O)[C@H]1[C@H]2[C@@H]1[C@@](C=C2O[Si](C)(C)C(C)(C)C)(C(=O)OCC)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI: InChI=1S/C33H41NO7Si/c1-8-38-29(35)27-26-25(41-42(6,7)32(3,4)5)18-33(28(26)27,30(36)39-9-2)34-31(37)40-19-24-22-16-12-10-14-20(22)21-15-11-13-17-23(21)24/h10-18,24,26-28H,8-9,19H2,1-7H3,(H,34,37)/t26-,27-,28-,33-/m0/s1
SMILES: C[C@]1([C@@H]([C@@H]2N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N(C7=C53)[C@]1(O2)C)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC
InChI: InChI=1S/C35H30N4O4/c1-34(42-4)30(37(3)32(41)19-12-6-5-7-13-19)33-38-23-16-10-8-14-20(23)26-27-22(18-36-31(27)40)25-21-15-9-11-17-24(21)39(29(25)28(26)38)35(34,2)43-33/h5-17,30,33H,18H2,1-4H3,(H,36,40)/t30-,33-,34-,35+/m1/s1
SMILES: C[C@H](C(=O)N[C@@H](C)P(=O)(CC(CCC(=O)O)C(=O)O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C
InChI: InChI=1S/C28H45N4O24P3/c1-11(24(41)30-13(3)57(45,46)10-14(26(42)43)4-5-18(36)37)52-23-19(29-12(2)34)27(54-15(8-33)21(23)39)55-59(49,50)56-58(47,48)51-9-16-20(38)22(40)25(53-16)32-7-6-17(35)31-28(32)44/h6-7,11,13-16,19-23,25,27,33,38-40H,4-5,8-10H2,1-3H3,(H,29,34)(H,30,41)(H,36,37)(H,42,43)(H,45,46)(H,47,48)(H,49,50)(H,31,35,44)/t11-,13-,14?,15-,16-,19-,20-,21-,22-,23-,25-,27-/m1/s1
SMILES: CCCCCC(=O)O[C@H]1C2=C(C(=CC(=C2)C)O)C(=C3[C@]14CC5=CC(=C(C(=C5[C@@H](C3=O)C=C4)O)C(=O)C6=C(C=CC(=C6C(=O)OC)O)O)O)O
InChI: InChI=1S/C37H34O12/c1-4-5-6-7-24(42)49-35-19-12-16(2)13-22(40)26(19)34(46)30-31(43)18-10-11-37(30,35)15-17-14-23(41)29(32(44)25(17)18)33(45)27-20(38)8-9-21(39)28(27)36(47)48-3/h8-14,18,35,38-41,44,46H,4-7,15H2,1-3H3/t18-,35-,37-/m0/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)C1=CC=CC(=C1)CNC(=O)C2=C[C@@H]3[C@H]([C@@H](C2)OC(=O)C4=CC=CC(=C4)C=CCO[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)OCO3
InChI: InChI=1S/C41H52N2O15/c1-41(2,3)58-32(46)13-12-28(20-44)43-38(51)25-10-5-8-24(16-25)19-42-37(50)27-17-29-36(55-22-54-29)30(18-27)56-39(52)26-11-4-7-23(15-26)9-6-14-53-40-35(49)34(48)33(47)31(21-45)57-40/h4-11,15-17,28-31,33-36,40,44-45,47-49H,12-14,18-22H2,1-3H3,(H,42,50)(H,43,51)/t28-,29+,30+,31+,33-,34-,35+,36+,40-/m0/s1
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)N=C(C(=N[C@@H]2C[C@@H](CC[C@@H]2C(C)C)C)NC3=CC=C(C=C3)C)NC4=CC=C(C=C4)C)C(C)C
InChI: InChI=1S/C36H54N4/c1-23(2)31-19-13-27(7)21-33(31)39-35(37-29-15-9-25(5)10-16-29)36(38-30-17-11-26(6)12-18-30)40-34-22-28(8)14-20-32(34)24(3)4/h9-12,15-18,23-24,27-28,31-34H,13-14,19-22H2,1-8H3,(H,37,39)(H,38,40)/t27-,28-,31-,32-,33-,34-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CC4CCCCC4)CNC5=CC(=O)CC[C@]35C
InChI: InChI=1S/C26H39NO2/c1-25-13-11-21-19(16-27-24-15-18(28)10-12-26(21,24)2)20(25)8-9-22(25)23(29)14-17-6-4-3-5-7-17/h15,17,19-22,27H,3-14,16H2,1-2H3/t19-,20-,21-,22+,25-,26+/m0/s1
SMILES: C1[C@H]([C@H]([C@@H]([C@](O1)(CI)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C18H31IO15/c19-4-18(34-17-14(28)12(26)9(23)6(2-21)32-17)15(29)10(24)7(3-30-18)33-16-13(27)11(25)8(22)5(1-20)31-16/h5-17,20-29H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17+,18+/m1/s1
SMILES: CCOC1=CC=CC=C1N2C(=O)[C@H]3[C@@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)Br
InChI: InChI=1S/C26H20BrNO3/c1-2-31-20-14-8-7-13-19(20)28-24(29)22-21-15-9-3-5-11-17(15)26(27,23(22)25(28)30)18-12-6-4-10-16(18)21/h3-14,21-23H,2H2,1H3/t21?,22-,23+,26?/m1/s1
SMILES: C/C=C(\C)/[C@H](C(=O)O[C@@H]1CC([C@]([C@@H]2[C@@]1(C3=CC[C@H]([C@@]3(CC2)C)[C@@H]4C[C@H](OC4)C=C(C)C)C)(C)CCC(=O)OC)C(C)(C)O)O
InChI: InChI=1S/C37H58O7/c1-11-23(4)32(39)33(40)44-30-20-29(34(5,6)41)36(8,17-15-31(38)42-10)28-14-16-35(7)26(12-13-27(35)37(28,30)9)24-19-25(43-21-24)18-22(2)3/h11,13,18,24-26,28-30,32,39,41H,12,14-17,19-21H2,1-10H3/b23-11+/t24-,25-,26+,28-,29?,30-,32-,35+,36-,37+/m1/s1
SMILES: COC1=CC=C(C=C1)CN2CCC3(C2=O)CCN(CC3)C[C@H]4CN(C[C@@H]4C5=CC=CC=C5)C(=O)C6=CC=CO6
InChI: InChI=1S/C32H37N3O4/c1-38-27-11-9-24(10-12-27)20-34-18-15-32(31(34)37)13-16-33(17-14-32)21-26-22-35(30(36)29-8-5-19-39-29)23-28(26)25-6-3-2-4-7-25/h2-12,19,26,28H,13-18,20-23H2,1H3/t26-,28+/m0/s1
SMILES: C1CO[C@@H]2[C@H]1[C@@H](NC3=CC=CC=C23)C4=C5C(=C6C=CC(=N6)C(=C7C=CC(=N7)C(=C8C=CC(=C(C(=C4)N5)C9=CC=CC=C9)N8)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1
InChI: InChI=1S/C55H41N5O/c1-5-15-34(16-6-1)49-42-25-26-43(56-42)50(35-17-7-2-8-18-35)45-29-30-47(58-45)52(37-21-11-4-12-22-37)54-40(53-39-31-32-61-55(39)38-23-13-14-24-41(38)59-53)33-48(60-54)51(36-19-9-3-10-20-36)46-28-27-44(49)57-46/h1-30,33,39,53,55,57,59-60H,31-32H2/t39-,53-,55+/m1/s1
SMILES: CC(C)[C@H](C1=CC=C(C=C1)OC)NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C22H30N2O4/c1-14(2)20(15-8-10-16(28-3)11-9-15)23-19(25)12-13-24-21(26)17-6-4-5-7-18(17)22(24)27/h8-11,14,17-18,20H,4-7,12-13H2,1-3H3,(H,23,25)/t17-,18+,20-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CC(=O)NC3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H20ClN3O4/c1-11-4-2-3-5-14(11)22-17(25)16(24)21(18(22)26)10-15(23)20-13-8-6-12(19)7-9-13/h6-9,11,14H,2-5,10H2,1H3,(H,20,23)/t11-,14+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)CSC2=NNC(=N2)COC3=CC(=C(C=C3)Cl)C
InChI: InChI=1S/C20H27ClN4O2S/c1-12-5-4-6-17(14(12)3)22-19(26)11-28-20-23-18(24-25-20)10-27-15-7-8-16(21)13(2)9-15/h7-9,12,14,17H,4-6,10-11H2,1-3H3,(H,22,26)(H,23,24,25)/t12-,14+,17+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@]2([C@H](C(=C)NC2=O)C(=O)OC)C(F)(F)F
InChI: InChI=1S/C15H15F3N2O5S/c1-8-4-6-10(7-5-8)26(23,24)20-14(15(16,17)18)11(12(21)25-3)9(2)19-13(14)22/h4-7,11,20H,2H2,1,3H3,(H,19,22)/t11-,14-/m1/s1
SMILES: CCSC1=NN2[C@@H]([C@H]3C(=O)CCC=C3NC2=N1)C4=CC=C(C=C4)O
InChI: InChI=1S/C17H18N4O2S/c1-2-24-17-19-16-18-12-4-3-5-13(23)14(12)15(21(16)20-17)10-6-8-11(22)9-7-10/h4,6-9,14-15,22H,2-3,5H2,1H3,(H,18,19,20)/t14-,15-/m1/s1
SMILES: C[C@@]12CC[C@@](C1(C)C)(OC2)C(=O)O[C@@H]3[C@H](C(OC4=CC=CC=C34)(C)C)Br
InChI: InChI=1S/C21H27BrO4/c1-18(2)16(22)15(13-8-6-7-9-14(13)26-18)25-17(23)21-11-10-20(5,12-24-21)19(21,3)4/h6-9,15-16H,10-12H2,1-5H3/t15-,16+,20-,21+/m0/s1
SMILES: CC(=O)O[C@H]1C[C@]2([C@@H]3[C@H](C[C@H]4C[C@@]3([C@H]([C@@H]([C@@H]2C([C@H]1OC(=O)C)(C)C)OC(=O)C)O)C(=O)C4=C)O)C
InChI: InChI=1S/C26H36O9/c1-11-15-8-16(30)19-25(7)10-17(33-12(2)27)23(35-14(4)29)24(5,6)20(25)18(34-13(3)28)22(32)26(19,9-15)21(11)31/h15-20,22-23,30,32H,1,8-10H2,2-7H3/t15-,16-,17-,18+,19-,20+,22-,23-,25-,26-/m0/s1
SMILES: CCOC(=O)CNC(=O)NC1=CC=C(C=C1)[C@H]2O[C@H]([C@H]([C@H](O2)C3=CC=C(C=C3)CO)C)CN4CCCCCCC4
InChI: InChI=1S/C31H43N3O6/c1-3-38-28(36)19-32-31(37)33-26-15-13-25(14-16-26)30-39-27(20-34-17-7-5-4-6-8-18-34)22(2)29(40-30)24-11-9-23(21-35)10-12-24/h9-16,22,27,29-30,35H,3-8,17-21H2,1-2H3,(H2,32,33,37)/t22-,27+,29+,30+/m1/s1
SMILES: C[C@H]1C[C@H](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@H]([C@H]1O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)C4CC4)C)O)C)C
InChI: InChI=1S/C38H67NO11/c1-18-15-19(2)32(50-37-31(42)27(39(10)11)16-20(3)46-37)23(6)33(48-28-17-38(9,45-12)35(43)25(8)47-28)24(7)36(44)49-34(26-13-14-26)22(5)30(41)21(4)29(18)40/h18-28,30-35,37,41-43H,13-17H2,1-12H3/t18-,19+,20-,21+,22-,23+,24-,25+,27+,28+,30-,31-,32+,33+,34+,35+,37+,38-/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](N4CCCN4[C@@H]3C2=O)C5=C(C=C(C=C5)Cl)Cl
InChI: InChI=1S/C21H19Cl2N3O2/c1-12-3-6-14(7-4-12)26-20(27)17-18(15-8-5-13(22)11-16(15)23)24-9-2-10-25(24)19(17)21(26)28/h3-8,11,17-19H,2,9-10H2,1H3/t17-,18-,19-/m0/s1
SMILES: COC1=CC=CC=C1[C@H]2C[C@H]3CC[C@@H]([C@@H]2OC(=O)C4=CC=CO4)N3CC5=CC=CC=C5
InChI: InChI=1S/C26H27NO4/c1-29-23-11-6-5-10-20(23)21-16-19-13-14-22(27(19)17-18-8-3-2-4-9-18)25(21)31-26(28)24-12-7-15-30-24/h2-12,15,19,21-22,25H,13-14,16-17H2,1H3/t19-,21-,22+,25-/m1/s1
SMILES: CC(C)(C(=O)O)O/N=C(/C1=NSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=C(N4CCO)N)C(=O)O.[Cl-]
InChI: InChI=1S/C21H25N9O8S2.ClH/c1-21(2,19(36)37)38-26-11(14-25-20(23)40-27-14)15(32)24-12-16(33)30-13(18(34)35)9(8-39-17(12)30)7-28-4-3-10(22)29(28)5-6-31;/h3-4,12,17,22,31H,5-8H2,1-2H3,(H5,23,24,25,27,32,34,35,36,37);1H/b26-11-;/t12-,17-;/m1./s1
SMILES: CC(C)[C@@H](CC(=O)N[C@@H]1CCNC[C@H]1C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)NC(=O)C[C@H](CC4=CC=CC=C4)NC(=O)[C@@H]5CNCC[C@H]5N
InChI: InChI=1S/C46H65N9O9/c1-27(2)39(55-41(57)20-31(18-28-8-4-3-5-9-28)52-45(63)34-25-48-16-14-36(34)47)23-42(58)54-38-15-17-49-26-35(38)46(64)53-32(19-29-24-50-37-11-7-6-10-33(29)37)21-40(56)51-30(22-44(61)62)12-13-43(59)60/h3-11,24,27,30-32,34-36,38-39,48-50H,12-23,25-26,47H2,1-2H3,(H,51,56)(H,52,63)(H,53,64)(H,54,58)(H,55,57)(H,59,60)(H,61,62)/t30-,31-,32-,34+,35+,36+,38+,39+/m0/s1
SMILES: C[C@@]12C[C@H]3[C@H](C3(C)C)C[C@@H]1[C@H]([C@H]4[C@@H](O2)C(=O)N4C5CCCCC5)CC6=CC=CC=C6
InChI: InChI=1S/C27H37NO2/c1-26(2)21-15-20-19(14-17-10-6-4-7-11-17)23-24(30-27(20,3)16-22(21)26)25(29)28(23)18-12-8-5-9-13-18/h4,6-7,10-11,18-24H,5,8-9,12-16H2,1-3H3/t19-,20-,21-,22+,23+,24-,27-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3CCC(C4)(OC)OC
InChI: InChI=1S/C20H30O3/c1-19-10-8-15-14-9-11-20(22-2,23-3)12-13(14)4-5-16(15)17(19)6-7-18(19)21/h15-17H,4-12H2,1-3H3/t15-,16-,17+,19+/m1/s1
SMILES: COC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)OC(=O)CCl)OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C30H29ClO10/c1-35-21-13-15-22(16-14-21)38-30-27(40-28(33)20-11-7-4-8-12-20)24(37-18-19-9-5-3-6-10-19)25(39-23(32)17-31)26(41-30)29(34)36-2/h3-16,24-27,30H,17-18H2,1-2H3/t24-,25-,26-,27+,30+/m0/s1
SMILES: CC(=CCCC(COS(=O)(=O)O)C1CCC2C1(CCC3C2CC=C4C3(C[C@@H]([C@H](C4)O)OS(=O)(=O)O)C)C)C
InChI: InChI=1S/C27H44O9S2/c1-17(2)6-5-7-18(16-35-37(29,30)31)21-10-11-22-20-9-8-19-14-24(28)25(36-38(32,33)34)15-27(19,4)23(20)12-13-26(21,22)3/h6,8,18,20-25,28H,5,7,9-16H2,1-4H3,(H,29,30,31)(H,32,33,34)/t18?,20?,21?,22?,23?,24-,25-,26?,27?/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: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3
InChI: InChI=1S/C22H28N2O4S/c1-16-5-3-7-21(17(16)2)24-22(25)13-10-18-8-11-20(12-9-18)29(26,27)23-15-19-6-4-14-28-19/h4,6,8-14,16-17,21,23H,3,5,7,15H2,1-2H3,(H,24,25)/b13-10+/t16-,17-,21+/m1/s1
SMILES: C1=CC=C(C=C1)CO[C@H]2[C@@H](O[C@H]([C@@H]([C@@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)SC5=CC=CC=C5)COC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C52H48O5S/c1-8-22-40(23-9-1)36-53-48-47(39-56-52(43-28-14-4-15-29-43,44-30-16-5-17-31-44)45-32-18-6-19-33-45)57-51(58-46-34-20-7-21-35-46)50(55-38-42-26-12-3-13-27-42)49(48)54-37-41-24-10-2-11-25-41/h1-35,47-51H,36-39H2/t47-,48-,49+,50+,51-/m0/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@@H]3C[C@H]2[C@@H]4[C@H]3C5=CC=CC6=C5C7=C(C=CC=C47)C8=CC=CC=C68
InChI: InChI=1S/C28H22/c1-2-7-16-15(6-1)19-10-4-12-21-25(19)26-20(16)11-5-13-22(26)28-24-14-23(27(21)28)17-8-3-9-18(17)24/h1-8,10-13,17-18,23-24,27-28H,9,14H2/t17-,18+,23+,24-,27+,28-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OCCCCCCCCN(C)CCN(C)C)OC[C@@H]3[C@H]([C@@H]([C@H](C(O3)O)O)O)O)N=[N+]=[N-]
InChI: InChI=1S/C29H52N7O12P/c1-19-16-36(29(42)31-27(19)40)23-15-20(32-33-30)21(47-23)17-45-49(43,46-18-22-24(37)25(38)26(39)28(41)48-22)44-14-10-8-6-5-7-9-11-35(4)13-12-34(2)3/h16,20-26,28,37-39,41H,5-15,17-18H2,1-4H3,(H,31,40,42)/t20-,21+,22+,23+,24+,25-,26+,28?,49?/m0/s1
SMILES: C[C@]1(CC(=O)[C@@H]([C@H]([C@@H]1C(=O)OC)C2=CC3=C(C=C2)OCO3)C(=O)OC)O
InChI: InChI=1S/C18H20O8/c1-18(22)7-10(19)14(16(20)23-2)13(15(18)17(21)24-3)9-4-5-11-12(6-9)26-8-25-11/h4-6,13-15,22H,7-8H2,1-3H3/t13-,14+,15-,18-/m1/s1
SMILES: CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSC4=C5CCCC5=[N+](C=C4)CC(=O)O)C(=O)O
InChI: InChI=1S/C24H24N6O7S3/c1-37-28-17(13-10-40-24(25)26-13)20(33)27-18-21(34)30-19(23(35)36)11(9-39-22(18)30)8-38-15-5-6-29(7-16(31)32)14-4-2-3-12(14)15/h5-6,10,18,22H,2-4,7-9H2,1H3,(H4-,25,26,27,31,32,33,35,36)/p+1/b28-17-/t18-,22-/m1/s1
SMILES: CCN1C(=O)C2=C(N=C1SCC(=O)N[C@H]3CCCC[C@@H]3C)SC4=C2CCCC4
InChI: InChI=1S/C21H29N3O2S2/c1-3-24-20(26)18-14-9-5-7-11-16(14)28-19(18)23-21(24)27-12-17(25)22-15-10-6-4-8-13(15)2/h13,15H,3-12H2,1-2H3,(H,22,25)/t13-,15-/m0/s1
SMILES: CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2O)(C)C(=O)OC)C
InChI: InChI=1S/C21H30O3/c1-13(2)14-7-8-16-15(11-14)17(22)12-18-20(16,3)9-6-10-21(18,4)19(23)24-5/h7-8,11,13,17-18,22H,6,9-10,12H2,1-5H3/t17?,18-,20-,21-/m1/s1
SMILES: C[C@@]1(CC(N(C2=CC=CC=C21)C(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)(C)C)C5=CC=CC=C5
InChI: InChI=1S/C28H32N2O3/c1-27(2)18-28(3,19-11-5-4-6-12-19)22-15-9-10-16-23(22)30(27)24(31)17-29-25(32)20-13-7-8-14-21(20)26(29)33/h4-6,9-12,15-16,20-21H,7-8,13-14,17-18H2,1-3H3/t20-,21-,28-/m1/s1
SMILES: CC1(CCC2=CC[C@@H]3C(=O)C=C[C@@]3([C@@H]2C1)C(=O)OC)C
InChI: InChI=1S/C17H22O3/c1-16(2)8-6-11-4-5-12-14(18)7-9-17(12,13(11)10-16)15(19)20-3/h4,7,9,12-13H,5-6,8,10H2,1-3H3/t12-,13-,17-/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2C[C@H]2C3=NNC(=S)N3CC4=CC=CC=C4
InChI: InChI=1S/C19H19N3S/c1-13-7-9-15(10-8-13)16-11-17(16)18-20-21-19(23)22(18)12-14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3,(H,21,23)/t16-,17+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)N3CC[C@H]4CCCC[C@H]4C3
InChI: InChI=1S/C22H32N2O3S/c1-17-8-10-21(11-9-17)28(26,27)24-13-4-7-20(16-24)22(25)23-14-12-18-5-2-3-6-19(18)15-23/h8-11,18-20H,2-7,12-16H2,1H3/t18-,19+,20+/m1/s1
SMILES: CC[C@H](C)N(CC1=CC=CN1CC2=CC(=CC=C2)Cl)C(=O)[C@H]3C[C@H]3C4=CC=CC=C4
InChI: InChI=1S/C26H29ClN2O/c1-3-19(2)29(26(30)25-16-24(25)21-10-5-4-6-11-21)18-23-13-8-14-28(23)17-20-9-7-12-22(27)15-20/h4-15,19,24-25H,3,16-18H2,1-2H3/t19-,24-,25-/m0/s1
SMILES: CCCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)N3CC[C@]4(CCCC[C@@H]4C3)O
InChI: InChI=1S/C26H35NO5/c1-3-4-5-8-19-15-24(29)32-22-14-18(2)13-21(25(19)22)31-17-23(28)27-12-11-26(30)10-7-6-9-20(26)16-27/h13-15,20,30H,3-12,16-17H2,1-2H3/t20-,26+/m1/s1
SMILES: C[C@]1(CC(=C[C@@H]1[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C15H32O2Si2/c1-14(2,3)19(8,9)17-12-10-13(18(5,6)7)15(4,16)11-12/h10,13,16H,11H2,1-9H3/t13-,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(C[C@H]([C@@H](C4)O)O)C)C
InChI: InChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-24(28)25(29)16-27(19,5)23(20)13-14-26(21,22)4/h17-25,28-29H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27+/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)C4=C(C(=C(C(=C4F)F)F)F)F)CSC5=NC=NN5
InChI: InChI=1S/C29H25F5N4O4S/c1-14-19(12-43-29-36-13-37-38-29)41-28(42-26(14)17-6-4-16(11-39)5-7-17)18-8-2-15(3-9-18)10-35-27(40)20-21(30)23(32)25(34)24(33)22(20)31/h2-9,13-14,19,26,28,39H,10-12H2,1H3,(H,35,40)(H,36,37,38)/t14-,19+,26+,28+/m1/s1
SMILES: CC1(OC[C@@H]2[C@@H](O1)[C@@H]3[C@@H](O2)OC(O3)(C)C)C
InChI: InChI=1S/C11H18O5/c1-10(2)12-5-6-7(14-10)8-9(13-6)16-11(3,4)15-8/h6-9H,5H2,1-4H3/t6-,7-,8-,9+/m1/s1
SMILES: CCCCCCCNC(=O)O[C@@H]([C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)N=C(N)N)NC(=O)O)[C@H](C)CO
InChI: InChI=1S/C20H35N5O8/c1-3-4-5-6-7-8-23-20(31)33-15(11(2)10-26)16-14(25-19(29)30)12(24-18(21)22)9-13(32-16)17(27)28/h9,11-12,14-16,25-26H,3-8,10H2,1-2H3,(H,23,31)(H,27,28)(H,29,30)(H4,21,22,24)/t11-,12+,14-,15-,16-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCC=C)COCC2=CC=C(C=C2)OC)OC(=S)SC)OCOC
InChI: InChI=1S/C23H33NO8S2/c1-6-11-29-22-19(24-15(2)25)21(30-14-26-3)20(32-23(33)34-5)18(31-22)13-28-12-16-7-9-17(27-4)10-8-16/h6-10,18-22H,1,11-14H2,2-5H3,(H,24,25)/t18-,19-,20-,21-,22+/m1/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CSC3=C(C=CC(=C3)Cl)Cl)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)SCCl
InChI: InChI=1S/C29H23Cl3N2O4S3/c30-16-41-22-14-40-28-24(33-23(35)15-39-21-13-19(31)11-12-20(21)32)27(36)34(28)25(22)29(37)38-26(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-13,24,26,28H,14-16H2,(H,33,35)/t24-,28-/m1/s1
SMILES: CC(C)C[C@@H]1[C@@H]2[C@@H](C(=O)N(C2=O)C3=CC(=CC=C3)Cl)[C@@]4(N1)C5=CC=CC=C5N(C4=O)CC6=CC=CC=C6F
InChI: InChI=1S/C30H27ClFN3O3/c1-17(2)14-23-25-26(28(37)35(27(25)36)20-10-7-9-19(31)15-20)30(33-23)21-11-4-6-13-24(21)34(29(30)38)16-18-8-3-5-12-22(18)32/h3-13,15,17,23,25-26,33H,14,16H2,1-2H3/t23-,25-,26+,30+/m1/s1
SMILES: COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)C[C@H]3C[C@H]4CC[C@@H]3C4
InChI: InChI=1S/C20H24N2O3S/c1-24-15-5-6-18(25-2)16(10-15)17-11-26-20(21-17)22-19(23)9-14-8-12-3-4-13(14)7-12/h5-6,10-14H,3-4,7-9H2,1-2H3,(H,21,22,23)/t12-,13+,14+/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@@](O2)(C3=CC(=C(C=C3)Cl)C(=O)O)O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C41H39ClO8/c42-35-22-21-33(23-34(35)40(43)44)41(45)39(49-27-32-19-11-4-12-20-32)38(48-26-31-17-9-3-10-18-31)37(47-25-30-15-7-2-8-16-30)36(50-41)28-46-24-29-13-5-1-6-14-29/h1-23,36-39,45H,24-28H2,(H,43,44)/t36-,37-,38+,39-,41+/m1/s1
SMILES: C1=CC=C2[C@H]3C([C@@H]([C@H](N3C=CC2=C1)C(=O)C4=CC=CS4)C5=CC=C(C=C5)F)(C#N)C#N
InChI: InChI=1S/C25H16FN3OS/c26-18-9-7-17(8-10-18)21-22(23(30)20-6-3-13-31-20)29-12-11-16-4-1-2-5-19(16)24(29)25(21,14-27)15-28/h1-13,21-22,24H/t21-,22+,24+/m1/s1
SMILES: CC(=O)N1[C@H]2C(=O)CC=C3[C@@]2(CC(=O)N3CCCI)C4=CC=CC=C41
InChI: InChI=1S/C19H19IN2O3/c1-12(23)22-14-6-3-2-5-13(14)19-11-17(25)21(10-4-9-20)16(19)8-7-15(24)18(19)22/h2-3,5-6,8,18H,4,7,9-11H2,1H3/t18-,19+/m0/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC
InChI: InChI=1S/C18H22N4O6/c1-11-5-3-4-8-18(11)16(24)21(17(25)20-18)10-15(23)19-13-9-12(22(26)27)6-7-14(13)28-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,19,23)(H,20,25)/t11-,18-/m0/s1
SMILES: CC[C@@]1(CCC2=C1CCC3C2[C@H]([C@@H](C4[C@@]3(CCC(C4)NC5=CC=CC=C5)C)O)O)C
InChI: InChI=1S/C27H39NO2/c1-4-26(2)14-13-19-20(26)10-11-21-23(19)25(30)24(29)22-16-18(12-15-27(21,22)3)28-17-8-6-5-7-9-17/h5-9,18,21-25,28-30H,4,10-16H2,1-3H3/t18?,21?,22?,23?,24-,25-,26-,27-/m1/s1
SMILES: CC(C)[Si]1(OC[C@@H]2[C@H]([C@H]([C@@H](O2)C3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5)O)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C37H50N2O7Si2/c1-23(2)47(24(3)4)43-22-32-35(45-48(46-47,25(5)6)26(7)8)33(40)34(44-32)29-19-20-30(38-36(41)27-15-11-9-12-16-27)31(21-29)39-37(42)28-17-13-10-14-18-28/h9-21,23-26,32-35,40H,22H2,1-8H3,(H,38,41)(H,39,42)/t32-,33+,34+,35-/m1/s1
SMILES: CC1([C@H]2CC[C@@]1([C@]3(C2)OC[C@@H](O3)C[N+](C)(C)C)CS(=O)(=O)N(CC4=CC=CC=C4)CC5=CC=CC=C5)C.CS(=O)(=O)[O-]
InChI: InChI=1S/C30H43N2O4S.CH4O3S/c1-28(2)26-16-17-29(28,30(18-26)35-22-27(36-30)21-32(3,4)5)23-37(33,34)31(19-24-12-8-6-9-13-24)20-25-14-10-7-11-15-25;1-5(2,3)4/h6-15,26-27H,16-23H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1/t26-,27-,29+,30+;/m0./s1
SMILES: CCOC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CO2)CC(=O)N[C@H]3CCCC[C@@H]3C
InChI: InChI=1S/C22H30N2O5S/c1-3-28-18-10-12-20(13-11-18)30(26,27)24(15-19-8-6-14-29-19)16-22(25)23-21-9-5-4-7-17(21)2/h6,8,10-14,17,21H,3-5,7,9,15-16H2,1-2H3,(H,23,25)/t17-,21-/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@H]([C@H]([C@@H]1O)O)N=C(S2)NC3=CC=C(C=C3)Cl)C(=O)NC4=NC=CS4
InChI: InChI=1S/C17H17ClN4O3S2/c18-8-1-3-9(4-2-8)20-17-21-12-13(24)11(23)7-10(14(12)27-17)15(25)22-16-19-5-6-26-16/h1-6,10-14,23-24H,7H2,(H,20,21)(H,19,22,25)/t10-,11+,12-,13-,14+/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CCC(O3)(OO4)C)O[C@H](C)C5=CC=C(C=C5)C(F)(F)F)C
InChI: InChI=1S/C24H31F3O5/c1-13-5-10-19-14(2)20(28-15(3)16-6-8-17(9-7-16)24(25,26)27)29-21-23(19)18(13)11-12-22(4,30-21)31-32-23/h6-9,13-15,18-21H,5,10-12H2,1-4H3/t13-,14-,15-,18+,19+,20+,21-,22?,23-/m1/s1
SMILES: COC1=CC=CC=C1NC(=O)CC2=NOC(=N2)COC(=O)CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C22H24N4O7/c1-31-16-9-5-4-8-15(16)23-18(27)10-17-24-19(33-25-17)12-32-20(28)11-26-21(29)13-6-2-3-7-14(13)22(26)30/h4-5,8-9,13-14H,2-3,6-7,10-12H2,1H3,(H,23,27)/t13-,14+
SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)N[C@@H]2C[C@@H]2NS(=O)(=O)C3=C(C=C(C=C3C)C)C)C
InChI: InChI=1S/C21H28N2O4S2/c1-12-7-14(3)20(15(4)8-12)28(24,25)22-18-11-19(18)23-29(26,27)21-16(5)9-13(2)10-17(21)6/h7-10,18-19,22-23H,11H2,1-6H3/t18-,19+
SMILES: C1C[C@@H]2CCN(C[C@@H]2[C@@H](C1)N)C3=C(C=C4C(=C3F)N(C=C(C4=O)C(=O)O)C5CC5)F
InChI: InChI=1S/C22H25F2N3O3/c23-16-8-13-19(27(12-4-5-12)10-15(21(13)28)22(29)30)18(24)20(16)26-7-6-11-2-1-3-17(25)14(11)9-26/h8,10-12,14,17H,1-7,9,25H2,(H,29,30)/t11-,14+,17-/m1/s1
SMILES: C1CC[C@@H]2[C@H](C1)CCCN2C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Br
InChI: InChI=1S/C19H22BrN3O2/c20-14-7-8-16-15(10-14)19(25)22(12-21-16)11-18(24)23-9-3-5-13-4-1-2-6-17(13)23/h7-8,10,12-13,17H,1-6,9,11H2/t13-,17-/m1/s1
SMILES: CC(C)(C)OC(=O)N1C[C@@H]([C@H]([C@@H]([C@@H]1N2C(=O)C3=CC=CC=C3C2=O)OCOC)OCOC)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C29H46N2O9Si/c1-28(2,3)40-27(34)30-15-19(16-39-41(9,10)29(4,5)6)22(37-17-35-7)23(38-18-36-8)24(30)31-25(32)20-13-11-12-14-21(20)26(31)33/h11-14,19,22-24H,15-18H2,1-10H3/t19-,22-,23+,24+/m1/s1
SMILES: C1[C@@H]2[C@H]([C@H]([C@H]1C3=NC4=CC=CC=C4N=C23)O)O
InChI: InChI=1S/C13H12N2O2/c16-12-6-5-7(13(12)17)11-10(6)14-8-3-1-2-4-9(8)15-11/h1-4,6-7,12-13,16-17H,5H2/t6-,7+,12+,13-
SMILES: CN1CC[C@@]23CCCC[C@@H]2[C@H]1CC4=CC(=C(C=C34)OC)Br.Br
InChI: InChI=1S/C18H24BrNO.BrH/c1-20-8-7-18-6-4-3-5-13(18)16(20)10-12-9-15(19)17(21-2)11-14(12)18;/h9,11,13,16H,3-8,10H2,1-2H3;1H/t13-,16-,18+;/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)CNC(=O)CCC(=O)O)CN5CCC(CC5)(C6=CC=C(C=C6)Cl)O
InChI: InChI=1S/C41H45ClN2O7/c1-27-36(25-44-21-19-41(49,20-22-44)34-13-15-35(42)16-14-34)50-40(51-39(27)31-7-5-28(26-45)6-8-31)32-11-9-30(10-12-32)33-4-2-3-29(23-33)24-43-37(46)17-18-38(47)48/h2-16,23,27,36,39-40,45,49H,17-22,24-26H2,1H3,(H,43,46)(H,47,48)/t27-,36+,39+,40+/m1/s1
SMILES: CC(=O)O[C@@H]1C[C@@H]2[C@]3(CC[C@H](C([C@@H]3CC[C@]2([C@]4([C@H]1[C@H](CC4)[C@@]5(CC[C@@H](O5)C(C)(C)O)C)C)C)(C)C)OC(=O)CC(=O)O)C
InChI: InChI=1S/C35H56O8/c1-20(36)41-22-18-24-32(6)14-12-25(42-28(39)19-27(37)38)30(2,3)23(32)11-16-33(24,7)34(8)15-10-21(29(22)34)35(9)17-13-26(43-35)31(4,5)40/h21-26,29,40H,10-19H2,1-9H3,(H,37,38)/t21-,22+,23-,24+,25+,26+,29-,32-,33+,34+,35-/m0/s1
SMILES: CN(C)CCN(C)C(=O)O[C@H]1[C@H]2COC(=O)[C@@H]2[C@@H](C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)OC(=O)OCC6=CC=CC=C6)OC
InChI: InChI=1S/C35H38N2O11/c1-36(2)11-12-37(3)34(39)47-31-23-16-26-25(45-19-46-26)15-22(23)29(30-24(31)18-43-33(30)38)21-13-27(41-4)32(28(14-21)42-5)48-35(40)44-17-20-9-7-6-8-10-20/h6-10,13-16,24,29-31H,11-12,17-19H2,1-5H3/t24-,29+,30-,31+/m0/s1
SMILES: C1[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O1)O2)OC(=O)C3=CC=CC=C3)O)O
InChI: InChI=1S/C13H14O6/c14-9-8-6-17-13(18-8)11(10(9)15)19-12(16)7-4-2-1-3-5-7/h1-5,8-11,13-15H,6H2/t8-,9+,10+,11-,13-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@H]2CC[C@]4([C@H]3CCC(=O)[C@@]4(C)OC(=O)C)C)C
InChI: InChI=1S/C25H38O5/c1-15(26)29-18-10-12-23(3)17(14-18)6-7-19-20(23)11-13-24(4)21(19)8-9-22(28)25(24,5)30-16(2)27/h17-21H,6-14H2,1-5H3/t17-,18-,19+,20+,21-,23-,24-,25+/m0/s1
SMILES: CCOC1=CC=CC=C1[C@H]2[C@H]3CCCC[C@@]3(CC[NH+]2CC#N)O
InChI: InChI=1S/C19H26N2O2/c1-2-23-17-9-4-3-7-15(17)18-16-8-5-6-10-19(16,22)11-13-21(18)14-12-20/h3-4,7,9,16,18,22H,2,5-6,8,10-11,13-14H2,1H3/p+1/t16-,18+,19+/m1/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)N([C@@H]3CCS(=O)(=O)C3)C4CCCC4
InChI: InChI=1S/C20H31N3O5S/c1-14-6-4-5-10-20(14)18(25)22(19(26)21-20)12-17(24)23(15-7-2-3-8-15)16-9-11-29(27,28)13-16/h14-16H,2-13H2,1H3,(H,21,26)/t14-,16+,20-/m0/s1
SMILES: COC(=O)C1=CC(=CC=C1)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)C45CC5
InChI: InChI=1S/C19H17NO4/c1-24-18(23)10-3-2-4-11(9-10)20-16(21)14-12-5-6-13(15(14)17(20)22)19(12)7-8-19/h2-6,9,12-15H,7-8H2,1H3/t12-,13+,14-,15+