EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1CCC(CC1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C41H48O6/c1-6-16-32(17-7-1)26-42-31-37-38(43-27-33-18-8-2-9-19-33)39(44-28-34-20-10-3-11-21-34)40(45-29-35-22-12-4-13-23-35)41(47-37)46-30-36-24-14-5-15-25-36/h1-4,6-13,16-23,36-41H,5,14-15,24-31H2/t37-,38-,39+,40-,41-/m1/s1
SMILES: CC1(O[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H]([C@H]2OCC3=CC=CC=C3)O)O)OCC4=CC=C(C=C4)OC)C
InChI: InChI=1S/C24H30O7/c1-24(2)30-22-20(28-13-15-7-5-4-6-8-15)18(25)19(26)21(23(22)31-24)29-14-16-9-11-17(27-3)12-10-16/h4-12,18-23,25-26H,13-14H2,1-3H3/t18-,19-,20+,21+,22-,23+/m0/s1
SMILES: CCC(=O)C(=O)N(CCC1=CC2=CC=CC=C2N1)[C@@H]3C=C([C@H]4[C@@H]([C@H]3O)OC5=C4C=C(C=C5OC)CO)C(=O)NCCO
InChI: InChI=1S/C31H35N3O8/c1-3-24(37)31(40)34(10-8-19-14-18-6-4-5-7-22(18)33-19)23-15-21(30(39)32-9-11-35)26-20-12-17(16-36)13-25(41-2)28(20)42-29(26)27(23)38/h4-7,12-15,23,26-27,29,33,35-36,38H,3,8-11,16H2,1-2H3,(H,32,39)/t23-,26+,27+,29+/m1/s1
SMILES: C[C@@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)CN3CC[C@@H]4CCCC[C@@H]4C3
InChI: InChI=1S/C21H29N3OS/c1-15(21-22-18-9-5-6-10-19(18)26-21)23(2)20(25)14-24-12-11-16-7-3-4-8-17(16)13-24/h5-6,9-10,15-17H,3-4,7-8,11-14H2,1-2H3/t15-,16-,17+/m0/s1
SMILES: C[C@@]1(CCC2C(=C1)CC[C@@H]3[C@@]2(C[C@H]([C@@H]([C@@]3(C)CO)O)O)C)C=C
InChI: InChI=1S/C20H32O3/c1-5-18(2)9-8-14-13(10-18)6-7-16-19(14,3)11-15(22)17(23)20(16,4)12-21/h5,10,14-17,21-23H,1,6-9,11-12H2,2-4H3/t14?,15-,16-,17+,18+,19-,20+/m1/s1
SMILES: CCOC1=CC=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)C)C(=O)N(C4=O)C6=CC=C(C=C6)C=CC7=C(C=CC(=C7)OC)OC
InChI: InChI=1S/C41H37NO8/c1-5-50-34-8-6-7-28(39(34)45)35-27-16-17-29-36(30(27)21-31-37(35)32(43)19-22(2)38(31)44)41(47)42(40(29)46)25-13-10-23(11-14-25)9-12-24-20-26(48-3)15-18-33(24)49-4/h6-16,18-20,29-30,35-36,45H,5,17,21H2,1-4H3/t29-,30+,35+,36-/m0/s1
SMILES: C[C@@H]1CC(=O)[C@H]([C@@H]1C[N+](=O)[O-])CC(=O)O[C@@H](C)C(=O)NC2=CC=CC=C2Cl
InChI: InChI=1S/C18H21ClN2O6/c1-10-7-16(22)12(13(10)9-21(25)26)8-17(23)27-11(2)18(24)20-15-6-4-3-5-14(15)19/h3-6,10-13H,7-9H2,1-2H3,(H,20,24)/t10-,11+,12+,13-/m1/s1
SMILES: CCC=CC(=O)N(CCC1=CC2=CC=CC=C2N1)[C@@H]3CC(=C[C@@H]([C@H]3O)OC4=C(C=C(C=C4I)CO)OC)C(=O)NCCO
InChI: InChI=1S/C32H38IN3O7/c1-3-4-9-29(39)36(12-10-23-16-21-7-5-6-8-25(21)35-23)26-17-22(32(41)34-11-13-37)18-27(30(26)40)43-31-24(33)14-20(19-38)15-28(31)42-2/h4-9,14-16,18,26-27,30,35,37-38,40H,3,10-13,17,19H2,1-2H3,(H,34,41)/t26-,27+,30+/m1/s1
SMILES: CCC1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=CC=C(C7=CC=CC=C67)O)C8=CC=C(C=C8)Cl)NC9=CC=C(C=C9)F
InChI: InChI=1S/C44H35ClFN3O5/c1-2-24-7-17-29(18-8-24)48-40(51)34-20-19-33-35(38(34)42(48)53)23-36-41(52)49(47-28-15-13-27(46)14-16-28)43(54)44(36,25-9-11-26(45)12-10-25)39(33)32-21-22-37(50)31-6-4-3-5-30(31)32/h3-19,21-22,34-36,38-39,47,50H,2,20,23H2,1H3/t34-,35+,36-,38-,39-,44+/m0/s1
SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4C(=O)CCCCCC(=O)N5[C@@H]6[C@H]5[C@@]7([C@@H](C8=C(N7C6)C(=O)C(=C(C8=O)N)C)COC(=O)N)OC)N
InChI: InChI=1S/C37H44N8O12/c1-14-24(38)30(50)22-16(12-56-34(40)52)36(54-3)32-18(10-42(36)26(22)28(14)48)44(32)20(46)8-6-5-7-9-21(47)45-19-11-43-27-23(31(51)25(39)15(2)29(27)49)17(13-57-35(41)53)37(43,55-4)33(19)45/h16-19,32-33H,5-13,38-39H2,1-4H3,(H2,40,52)(H2,41,53)/t16-,17-,18+,19+,32+,33+,36-,37-,44?,45?/m1/s1
SMILES: C1CC[C@@H]([C@@H](C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)F)Cl)C(=O)O
InChI: InChI=1S/C21H20ClFN2O4/c22-16-11-12(9-10-17(16)23)24-20(27)15-7-3-4-8-18(15)25-19(26)13-5-1-2-6-14(13)21(28)29/h3-4,7-11,13-14H,1-2,5-6H2,(H,24,27)(H,25,26)(H,28,29)/t13-,14+/m1/s1
SMILES: COC1=CC=CC(=C1O)[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)N(C5=O)C6=CC=C(C=C6)C7=NC8=CC=CC=C8O7)C(=O)N(C3=O)C9=CC=C(C=C9)C1=NC2=CC=CC=C2O1
InChI: InChI=1S/C47H34N4O8/c1-57-37-12-6-7-29(41(37)52)38-28-21-22-30-39(46(55)50(44(30)53)26-17-13-24(14-18-26)42-48-33-8-2-4-10-35(33)58-42)31(28)23-32-40(38)47(56)51(45(32)54)27-19-15-25(16-20-27)43-49-34-9-3-5-11-36(34)59-43/h2-21,30-32,38-40,52H,22-23H2,1H3/t30-,31+,32+,38+,39-,40+/m0/s1
SMILES: CC1=C2[C@H](C[C@H]1C3=COC=C3)O[C@H]4[C@@]2([C@@H]([C@@]5(C6[C@H]4OC(=O)[C@@]6(C=CC5=O)C)C)CC(=O)OC)C
InChI: InChI=1S/C27H30O7/c1-13-15(14-7-9-32-12-14)10-16-20(13)27(4)17(11-19(29)31-5)26(3)18(28)6-8-25(2)22(26)21(23(27)33-16)34-24(25)30/h6-9,12,15-17,21-23H,10-11H2,1-5H3/t15-,16+,17-,21-,22?,23-,25-,26+,27-/m1/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C5=NC6=CC=CC=C6N=C5)O)C)O
InChI: InChI=1S/C27H32N2O3/c1-25-11-9-17(30)13-16(25)7-8-18-19-10-12-27(32,26(19,2)14-22(31)24(18)25)23-15-28-20-5-3-4-6-21(20)29-23/h3-6,13,15,18-19,22,24,31-32H,7-12,14H2,1-2H3/t18-,19-,22-,24+,25-,26-,27-/m0/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=CC(=CC=C8)O)C(=O)N(C7=O)C9=CC=C(C=C9)[N+](=O)[O-])C
InChI: InChI=1S/C40H32ClN5O7S/c1-19-27-16-21(41)7-14-31(27)54-35(19)30-18-32(43(3)42-30)45-37(49)29-17-28-25(34(40(29,2)39(45)51)20-5-4-6-24(47)15-20)12-13-26-33(28)38(50)44(36(26)48)22-8-10-23(11-9-22)46(52)53/h4-12,14-16,18,26,28-29,33-34,47H,13,17H2,1-3H3/t26-,28+,29-,33-,34-,40+/m0/s1
SMILES: CCC[C@H]1C[C@H]([C@H](O1)C2=CC(=C(C(=C2Br)OC)OC)OC)C=C
InChI: InChI=1S/C18H25BrO4/c1-6-8-12-9-11(7-2)16(23-12)13-10-14(20-3)17(21-4)18(22-5)15(13)19/h7,10-12,16H,2,6,8-9H2,1,3-5H3/t11-,12+,16+/m1/s1
SMILES: C[C@@]12[C@@H](CC=C([C@@H]1C3=CC(=C(C=C3)O)F)C=C)C(=O)N(C2=O)C4=CC=CC=C4
InChI: InChI=1S/C23H20FNO3/c1-3-14-9-11-17-21(27)25(16-7-5-4-6-8-16)22(28)23(17,2)20(14)15-10-12-19(26)18(24)13-15/h3-10,12-13,17,20,26H,1,11H2,2H3/t17-,20+,23+/m0/s1
SMILES: CC(=C)CC1[C@@]23C=C[C@@H](O2)[C@H]([C@H]3C(=O)N1CC4=CC=CC=C4)C(=O)O
InChI: InChI=1S/C20H21NO4/c1-12(2)10-15-20-9-8-14(25-20)16(19(23)24)17(20)18(22)21(15)11-13-6-4-3-5-7-13/h3-9,14-17H,1,10-11H2,2H3,(H,23,24)/t14-,15?,16-,17+,20-/m1/s1
SMILES: C1CCCC2=C(CC1)C(=C(S2)NC(=O)[C@H]3CCCC[C@H]3C(=O)O)C#N
InChI: InChI=1S/C19H24N2O3S/c20-11-15-12-7-3-1-2-4-10-16(12)25-18(15)21-17(22)13-8-5-6-9-14(13)19(23)24/h13-14H,1-10H2,(H,21,22)(H,23,24)/t13-,14+/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC(=CC=C2)N3C(=O)[C@H]4[C@H](C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57
InChI: InChI=1S/C35H27NO5/c1-19-14-16-21(17-15-19)32(37)20(2)41-35(40)22-8-7-9-23(18-22)36-33(38)30-28-24-10-3-4-11-25(24)29(31(30)34(36)39)27-13-6-5-12-26(27)28/h3-18,20,28-31H,1-2H3/t20-,28?,29?,30+,31+/m0/s1
SMILES: CCCC[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O
InChI: InChI=1S/C33H53N3O6S/c1-5-6-16-30-29(17-18-43(30,40)41)42-32(39)34-26(19-23-12-8-7-9-13-23)28(37)22-36-21-25-15-11-10-14-24(25)20-27(36)31(38)35-33(2,3)4/h7-9,12-13,24-30,37H,5-6,10-11,14-22H2,1-4H3,(H,34,39)(H,35,38)/t24-,25+,26-,27-,28+,29+,30+/m0/s1
SMILES: CC1(O[C@H]2C[C@H](O[C@@H]([C@H]2O1)C=O)CCCOCC3=CC=CC=C3)C
InChI: InChI=1S/C19H26O5/c1-19(2)23-16-11-15(22-17(12-20)18(16)24-19)9-6-10-21-13-14-7-4-3-5-8-14/h3-5,7-8,12,15-18H,6,9-11,13H2,1-2H3/t15-,16+,17-,18+/m1/s1
SMILES: C[C@H]1[C@H](O[C@H]([C@@H]([C@H]1OCC2=CC(=C(C=C2)OC)OC)C)/C(=C/C3=COC(=N3)C[C@@]4(C[C@@H](C[C@@H](O4)[C@@H](/C=C(\C)/C=C/[C@@H](CC=C)OC)O)OC)O)/C)CCO
InChI: InChI=1S/C42H61NO11/c1-10-11-32(47-6)14-12-26(2)18-34(45)37-21-33(48-7)22-42(46,54-37)23-39-43-31(25-51-39)19-27(3)40-29(5)41(28(4)35(53-40)16-17-44)52-24-30-13-15-36(49-8)38(20-30)50-9/h10,12-15,18-20,25,28-29,32-35,37,40-41,44-46H,1,11,16-17,21-24H2,2-9H3/b14-12+,26-18+,27-19+/t28-,29-,32+,33+,34+,35+,37+,40-,41-,42-/m0/s1
SMILES: CC1=C2C[C@@H]([C@H](C[C@]2(CCC1=O)C)O)[C@H](C)C(=O)OC
InChI: InChI=1S/C16H24O4/c1-9(15(19)20-4)11-7-12-10(2)13(17)5-6-16(12,3)8-14(11)18/h9,11,14,18H,5-8H2,1-4H3/t9-,11+,14-,16+/m0/s1
SMILES: COC1=CC(=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(=CC=C6)Cl)C7=CC=CC=C7)C(=O)N(C4=O)CC8=CC=CC=C8)OC)O
InChI: InChI=1S/C41H35ClN2O7/c1-50-32-19-27(45)20-33(51-2)35(32)36-28-16-17-29-34(39(48)43(37(29)46)22-23-10-5-3-6-11-23)30(28)21-31-38(47)44(26-15-9-14-25(42)18-26)40(49)41(31,36)24-12-7-4-8-13-24/h3-16,18-20,29-31,34,36,45H,17,21-22H2,1-2H3/t29-,30+,31-,34-,36+,41+/m0/s1
SMILES: CC1([C@@H]([C@H]1C(=O)OCC2=CN=C(S2)OC3=CC=CC=C3)C=C4CCCC4)C
InChI: InChI=1S/C22H25NO3S/c1-22(2)18(12-15-8-6-7-9-15)19(22)20(24)25-14-17-13-23-21(27-17)26-16-10-4-3-5-11-16/h3-5,10-13,18-19H,6-9,14H2,1-2H3/t18-,19+/m1/s1
SMILES: CCCCCCCCCCCCCC[C@H](/C=C(/CCCCCCCCCCCCCC)\CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C48H84O12/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-42(34-43(56-38(4)50)33-31-29-27-25-23-21-19-17-15-13-11-9-2)35-55-48-47(59-41(7)53)46(58-40(6)52)45(57-39(5)51)44(60-48)36-54-37(3)49/h34,43-48H,8-33,35-36H2,1-7H3/b42-34-/t43-,44-,45-,46+,47-,48-/m1/s1
SMILES: CN1C[C@@H](C[C@H]2[C@H]1CC3=C(C2)C(=CC=C3)OC)COS(=O)(=O)C
InChI: InChI=1S/C17H25NO4S/c1-18-10-12(11-22-23(3,19)20)7-14-8-15-13(9-16(14)18)5-4-6-17(15)21-2/h4-6,12,14,16H,7-11H2,1-3H3/t12-,14-,16-/m1/s1
SMILES: COC(=O)CCC=C=CC[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](COC2=CC=CC=C2)O)O)O
InChI: InChI=1S/C23H30O6/c1-28-23(27)12-8-3-2-7-11-19-20(22(26)15-21(19)25)14-13-17(24)16-29-18-9-5-4-6-10-18/h3-7,9-10,13-14,17,19-22,24-26H,8,11-12,15-16H2,1H3/b14-13+/t2?,17-,19-,20-,21+,22-/m1/s1
SMILES: CC[C@H](C)N1C[C@]23C=C[C@H](O2)[C@@H]([C@@H]3C1=O)C(=O)OC
InChI: InChI=1S/C14H19NO4/c1-4-8(2)15-7-14-6-5-9(19-14)10(13(17)18-3)11(14)12(15)16/h5-6,8-11H,4,7H2,1-3H3/t8-,9-,10-,11+,14-/m0/s1
SMILES: C[C@H]1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)C3=CC=CC=C3C(=O)NC4=C(C(=CC=C4)Cl)C
InChI: InChI=1S/C23H21ClN2O3/c1-13-7-5-9-16-20(13)23(29)26(22(16)28)19-12-4-3-8-15(19)21(27)25-18-11-6-10-17(24)14(18)2/h3-8,10-13,16,20H,9H2,1-2H3,(H,25,27)/t13-,16+,20+/m0/s1
SMILES: CC(=O)OC1=CC=C(C=C1)C(=O)O[C@@H]2CC3=C(C=C(C=C3OC(=O)C)OC(=O)C)O[C@H]2C4=CC(=C(C=C4)OC(=O)C)OC(=O)C
InChI: InChI=1S/C32H28O13/c1-16(33)39-23-9-6-21(7-10-23)32(38)45-30-15-25-27(42-19(4)36)13-24(40-17(2)34)14-28(25)44-31(30)22-8-11-26(41-18(3)35)29(12-22)43-20(5)37/h6-14,30-31H,15H2,1-5H3/t30-,31+/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)C)CSC5=CC=CC=C5OC
InChI: InChI=1S/C35H37NO5S/c1-23-32(22-42-33-10-5-4-9-31(33)39-3)40-35(41-34(23)28-13-11-25(21-37)12-14-28)29-17-15-27(16-18-29)30-8-6-7-26(19-30)20-36-24(2)38/h4-19,23,32,34-35,37H,20-22H2,1-3H3,(H,36,38)/t23-,32+,34+,35+/m0/s1
SMILES: C[C@H]1CC[C@H](N([C@H]1C/C=C/C2OCCO2)C(=O)OCC3=CC=CC=C3)C(=O)OC
InChI: InChI=1S/C22H29NO6/c1-16-11-12-19(21(24)26-2)23(18(16)9-6-10-20-27-13-14-28-20)22(25)29-15-17-7-4-3-5-8-17/h3-8,10,16,18-20H,9,11-15H2,1-2H3/b10-6+/t16-,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)C4=CC=CC(=C4)CNC(=O)NCC5=CC=CC=C5)CN6CCC[C@H]6CO
InChI: InChI=1S/C39H45N3O5/c1-27-36(24-42-19-7-14-35(42)26-44)46-38(47-37(27)31-17-15-29(25-43)16-18-31)34-13-6-12-33(21-34)32-11-5-10-30(20-32)23-41-39(45)40-22-28-8-3-2-4-9-28/h2-6,8-13,15-18,20-21,27,35-38,43-44H,7,14,19,22-26H2,1H3,(H2,40,41,45)/t27-,35+,36+,37+,38+/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H](C=CO2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C27H22O7/c28-25(19-10-4-1-5-11-19)32-18-23-24(34-27(30)21-14-8-3-9-15-21)22(16-17-31-23)33-26(29)20-12-6-2-7-13-20/h1-17,22-24H,18H2/t22-,23-,24+/m1/s1
SMILES: C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-]
InChI: InChI=1S/C19H23ClN2O3/c20-15-7-5-14(6-8-15)13-21-9-11-22(12-10-21)18(23)16-3-1-2-4-17(16)19(24)25/h1-2,5-8,16-17H,3-4,9-13H2,(H,24,25)/t16-,17+/m1/s1
SMILES: CCCCCCCCCCCCC/C=C/1\CC[C@@H]2CCC(=O)O[C@H]2[C@@H]1SCC(=O)O
InChI: InChI=1S/C25H42O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-16-15-20-17-18-23(28)29-24(20)25(21)30-19-22(26)27/h14,20,24-25H,2-13,15-19H2,1H3,(H,26,27)/b21-14+/t20-,24-,25-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@H]([C@@H](CCO2)OCC3=CC=CC=C3)O
InChI: InChI=1S/C20H24O6S/c1-15-7-9-17(10-8-15)27(22,23)26-14-19-20(21)18(11-12-24-19)25-13-16-5-3-2-4-6-16/h2-10,18-21H,11-14H2,1H3/t18-,19-,20+/m1/s1
SMILES: CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI: InChI=1S/C23H28N2O/c1-2-17-16-25-13-12-21(17)14-22(25)15-24-23(26)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11,17,21-22H,2,12-16H2,1H3,(H,24,26)/t17-,21-,22+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)N2C[C@H](CC2=O)C(=O)OCC(=O)C3=C(C(=C(N3)C)C(=O)C)C
InChI: InChI=1S/C23H32N2O5/c1-12-7-6-8-18(13(12)2)25-10-17(9-20(25)28)23(29)30-11-19(27)22-14(3)21(16(5)26)15(4)24-22/h12-13,17-18,24H,6-11H2,1-5H3/t12-,13-,17-,18-/m0/s1
SMILES: C[C@@H]1C[C@@H]([C@]23C([C@@]1(C)[C@@H]4C[C@H]5C=CO[C@H]5O4)C[C@@H]([C@@H]([C@]26CO6)O)OC3OC(=O)C(C)C)OC(=O)C
InChI: InChI=1S/C26H36O9/c1-12(2)21(29)35-23-26-17(10-16(33-23)20(28)25(26)11-31-25)24(5,13(3)8-19(26)32-14(4)27)18-9-15-6-7-30-22(15)34-18/h6-7,12-13,15-20,22-23,28H,8-11H2,1-5H3/t13-,15-,16+,17?,18+,19+,20+,22+,23?,24+,25-,26+/m1/s1
SMILES: COC(=O)/C(=N\O)/N1[C@@H]([C@@H](C1=O)N=[N+]=[N-])CO
InChI: InChI=1S/C7H9N5O5/c1-17-7(15)5(10-16)12-3(2-13)4(6(12)14)9-11-8/h3-4,13,16H,2H2,1H3/b10-5+/t3-,4+/m1/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@@H]4CC56[C@H]3CC[C@@H]5C(=O)COC6O4
InChI: InChI=1S/C21H26O4/c1-20-7-6-12(22)8-11(20)2-3-13-14-4-5-15-16(23)10-24-19-21(14,15)9-17(25-19)18(13)20/h8,13-15,17-19H,2-7,9-10H2,1H3/t13-,14-,15+,17-,18+,19?,20-,21?/m0/s1
SMILES: CC1=C(C(=O)[C@]2([C@H](C(=CC[C@]2(C1=O)C)C=C)C3=C(C=C(C=C3)O)OC)C)C
InChI: InChI=1S/C23H26O4/c1-7-15-10-11-22(4)20(25)13(2)14(3)21(26)23(22,5)19(15)17-9-8-16(24)12-18(17)27-6/h7-10,12,19,24H,1,11H2,2-6H3/t19-,22+,23-/m1/s1
SMILES: C1=CC=C(C=C1)/C=C/2\[C@@H]3[C@@H]([C@@H]4[C@@H](O3)/C(=C/C5=CC=CC=C5)/C6=CC=CC=C46)C7=CC=CC=C72
InChI: InChI=1S/C32H24O/c1-3-11-21(12-4-1)19-27-23-15-7-9-17-25(23)29-30-26-18-10-8-16-24(26)28(32(30)33-31(27)29)20-22-13-5-2-6-14-22/h1-20,29-32H/b27-19-,28-20+/t29-,30-,31-,32+/m1/s1
SMILES: COC1=C2C3=C(C[C@H]4[C@@H]5[C@@]3(CC(=O)O4)[C@H](O2)C(=O)C=C5)C=C1
InChI: InChI=1S/C17H14O5/c1-20-11-5-2-8-6-12-9-3-4-10(18)16-17(9,7-13(19)21-12)14(8)15(11)22-16/h2-5,9,12,16H,6-7H2,1H3/t9-,12+,16-,17-/m1/s1
SMILES: CN1[C@@H]2[C@H]1[C@@]3([C@H](C4=C(N3C2)C(=O)C5=C(C4=O)OC6=C(C5)C(=O)CCC6)COC(=O)N)O
InChI: InChI=1S/C21H21N3O7/c1-23-11-6-24-15-14(10(7-30-20(22)28)21(24,29)19(11)23)17(27)18-9(16(15)26)5-8-12(25)3-2-4-13(8)31-18/h10-11,19,29H,2-7H2,1H3,(H2,22,28)/t10-,11-,19-,21+,23?/m0/s1
SMILES: CC1=CN(C(=O)N=C1NCC(OC)OC)[C@H]2C[C@@H]([C@H](O2)COC(=O)C)OC(=O)C
InChI: InChI=1S/C18H27N3O8/c1-10-8-21(18(24)20-17(10)19-7-16(25-4)26-5)15-6-13(28-12(3)23)14(29-15)9-27-11(2)22/h8,13-16H,6-7,9H2,1-5H3,(H,19,20,24)/t13-,14+,15+/m0/s1
SMILES: CC1=C[C@]([C@@H](O1)C2=CC=C(C=C2)Cl)(C#N)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H13Cl2NO/c1-12-10-18(11-21,14-4-8-16(20)9-5-14)17(22-12)13-2-6-15(19)7-3-13/h2-10,17H,1H3/t17-,18-/m0/s1
SMILES: C[C@@]12CCC[C@@]3([C@@H]1C[C@H]([C@]45[C@H]3C[C@H](CC4)C(=C)[C@@H]5O)O)CN(C2)CC=O
InChI: InChI=1S/C22H33NO3/c1-14-15-4-7-22(19(14)26)17(10-15)21-6-3-5-20(2,16(21)11-18(22)25)12-23(13-21)8-9-24/h9,15-19,25-26H,1,3-8,10-13H2,2H3/t15-,16+,17-,18+,19-,20-,21-,22+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@H]([C@H]1CCC(=O)C)C=O)C(=C)C(=O)OC
InChI: InChI=1S/C16H24O4/c1-10-5-7-14(12(3)16(19)20-4)15(9-17)13(10)8-6-11(2)18/h9-10,13-15H,3,5-8H2,1-2,4H3/t10-,13+,14+,15+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CN(CCOC)CC(=O)NC2=CC=CC(=C2C)C
InChI: InChI=1S/C22H35N3O3/c1-16-9-7-11-20(18(16)3)24-22(27)15-25(12-13-28-4)14-21(26)23-19-10-6-5-8-17(19)2/h7,9,11,17,19H,5-6,8,10,12-15H2,1-4H3,(H,23,26)(H,24,27)/t17-,19-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H](C2=CC=CC=C2)OC(C)(C)C)C(C)C
InChI: InChI=1S/C22H34O3/c1-15(2)18-13-12-16(3)14-19(18)24-21(23)20(25-22(4,5)6)17-10-8-7-9-11-17/h7-11,15-16,18-20H,12-14H2,1-6H3/t16-,18+,19-,20-/m1/s1
SMILES: CC(=O)N=C1N([C@H]2CS(=O)(=O)C[C@H]2S1)C3=CC=CC(=C3)C(F)(F)F
InChI: InChI=1S/C14H13F3N2O3S2/c1-8(20)18-13-19(11-6-24(21,22)7-12(11)23-13)10-4-2-3-9(5-10)14(15,16)17/h2-5,11-12H,6-7H2,1H3/t11-,12+/m0/s1
SMILES: CCCCCCCCCCCCCC(=O)O[C@H](CCCCCC)CCCCCCCCCCC(=O)N(C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC)O)O)O)C[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC)O)O)O
InChI: InChI=1S/C46H87NO13/c1-5-7-9-11-12-13-14-15-20-23-27-31-38(49)58-34(28-24-10-8-6-2)29-25-21-18-16-17-19-22-26-30-37(48)47(32-35-39(50)41(52)43(54)45(56-3)59-35)33-36-40(51)42(53)44(55)46(57-4)60-36/h34-36,39-46,50-55H,5-33H2,1-4H3/t34-,35-,36-,39-,40-,41+,42+,43-,44-,45+,46+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OCC2=C[C@H]([C@@H]3[C@H](C2)C(=O)N(C3=O)C)OC)C(C)(C)C
InChI: InChI=1S/C22H35NO4/c1-13-7-8-16(22(2,3)4)17(9-13)27-12-14-10-15-19(18(11-14)26-6)21(25)23(5)20(15)24/h11,13,15-19H,7-10,12H2,1-6H3/t13-,15+,16-,17-,18-,19+/m1/s1
SMILES: CCON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC5=CC=C(C=C5)SC)CCCCO)CCCCO)OCC=C)N(C)C(=O)OCCCl
InChI: InChI=1S/C40H53ClN2O8S/c1-5-22-48-40-36(43(3)39(46)47-23-19-41)26-34(42-49-6-2)32-24-27(11-7-9-20-44)31(12-8-10-21-45)37(38(32)40)33-25-29(15-18-35(33)51-40)50-28-13-16-30(52-4)17-14-28/h5,13-18,24-25,27,31,36-38,44-45H,1,6-12,19-23,26H2,2-4H3/t27-,31+,36-,37+,38+,40+/m0/s1
SMILES: CCCCS[C@@]12CCCC[C@@H]1[C@H]([C@@H]2C(=O)OC)C(=O)OC
InChI: InChI=1S/C16H26O4S/c1-4-5-10-21-16-9-7-6-8-11(16)12(14(17)19-2)13(16)15(18)20-3/h11-13H,4-10H2,1-3H3/t11-,12-,13-,16+/m1/s1
SMILES: C[C@@H](C(=O)NCC1=CC=C(C=C1)C2O[C@@H]([C@H]([C@@H](O2)C3=CC=C(C=C3)CO)C4=CC=CC=C4)CSC5=CC=CC=N5)OC(=O)C
InChI: InChI=1S/C35H36N2O6S/c1-23(41-24(2)39)34(40)37-20-25-11-17-29(18-12-25)35-42-30(22-44-31-10-6-7-19-36-31)32(27-8-4-3-5-9-27)33(43-35)28-15-13-26(21-38)14-16-28/h3-19,23,30,32-33,35,38H,20-22H2,1-2H3,(H,37,40)/t23-,30+,32+,33-,35?/m0/s1
SMILES: CCCCNC(=O)OC[C@]12CO[C@H]([C@H]([C@H]1C)C(=C[C@@H]2C)C)CCC
InChI: InChI=1S/C20H35NO3/c1-6-8-10-21-19(22)24-13-20-12-23-17(9-7-2)18(16(20)5)14(3)11-15(20)4/h11,15-18H,6-10,12-13H2,1-5H3,(H,21,22)/t15-,16+,17-,18-,20-/m0/s1
SMILES: CC(C)C[C@H]1[C@H]([C@@H](CN1)O[Si](C)(C)C(C)(C)C)C(=O)C
InChI: InChI=1S/C16H33NO2Si/c1-11(2)9-13-15(12(3)18)14(10-17-13)19-20(7,8)16(4,5)6/h11,13-15,17H,9-10H2,1-8H3/t13-,14+,15+/m0/s1
SMILES: CN(C)CCCC(=O)NC1=CN(C(=C1)C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCO[C@H]4[C@H]5COC(=O)[C@@H]5[C@@H](C6=CC7=C(C=C46)OCO7)C8=CC(=C(C(=C8)OC)O)OC)COC)COC)COC
InChI: InChI=1S/C50H60N8O15/c1-55(2)11-8-9-42(59)52-29-15-36(57(20-29)25-66-4)48(62)54-31-17-37(58(22-31)26-67-5)49(63)53-30-16-35(56(21-30)24-65-3)47(61)51-10-12-70-46-33-19-39-38(72-27-73-39)18-32(33)43(44-34(46)23-71-50(44)64)28-13-40(68-6)45(60)41(14-28)69-7/h13-22,34,43-44,46,60H,8-12,23-27H2,1-7H3,(H,51,61)(H,52,59)(H,53,63)(H,54,62)/t34-,43+,44-,46+/m0/s1
SMILES: C[C@H]1C=C([C@H]2[C@@H](O1)CC(O2)O[Si](C(C)C)(C(C)C)C(C)C)Br
InChI: InChI=1S/C17H31BrO3Si/c1-10(2)22(11(3)4,12(5)6)21-16-9-15-17(20-16)14(18)8-13(7)19-15/h8,10-13,15-17H,9H2,1-7H3/t13-,15-,16?,17-/m0/s1
SMILES: CCNC(=O)[C@H](C)OC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O
InChI: InChI=1S/C16H24N2O5/c1-4-17-13(19)10(3)23-16(22)9(2)18-14(20)11-7-5-6-8-12(11)15(18)21/h9-12H,4-8H2,1-3H3,(H,17,19)/t9-,10-,11-,12-/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OCCOC)C
InChI: InChI=1S/C15H26O7/c1-14(2)18-8-9(20-14)10-11(17-7-6-16-5)12-13(19-10)22-15(3,4)21-12/h9-13H,6-8H2,1-5H3/t9-,10-,11-,12-,13-/m1/s1
SMILES: C[C@H]1[C@@H](CC[C@H](O1)OC[C@@H]2[C@H]3[C@@H]([C@@H]4[C@H](O2)OC(O4)(C)C)OC(O3)(C)C)O
InChI: InChI=1S/C18H30O8/c1-9-10(19)6-7-12(21-9)20-8-11-13-14(24-17(2,3)23-13)15-16(22-11)26-18(4,5)25-15/h9-16,19H,6-8H2,1-5H3/t9-,10+,11+,12-,13-,14-,15+,16+/m0/s1
SMILES: CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCCCCCC
InChI: InChI=1S/C40H75N3O14P2/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-29-52-30-33(55-36(44)26-24-22-20-18-12-10-8-6-4-2)31-53-58(48,49)57-59(50,51)54-32-34-37(45)38(46)39(56-34)43-28-27-35(41)42-40(43)47/h27-28,33-34,37-39,45-46H,3-26,29-32H2,1-2H3,(H,48,49)(H,50,51)(H2,41,42,47)/t33?,34-,37-,38+,39-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]([C@@H]2C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C22H18ClNO3S/c1-15-7-13-19(14-8-15)28(26,27)24-20(16-9-11-18(23)12-10-16)21(24)22(25)17-5-3-2-4-6-17/h2-14,20-21H,1H3/t20-,21+,24?/m0/s1
SMILES: C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](C3=CC=NC4=CC=CC=C34)NC(=O)C5=CC=CC6=CC=CC=C65
InChI: InChI=1S/C30H29N3O/c1-2-20-19-33-17-15-22(20)18-28(33)29(25-14-16-31-27-13-6-5-11-24(25)27)32-30(34)26-12-7-9-21-8-3-4-10-23(21)26/h2-14,16,20,22,28-29H,1,15,17-19H2,(H,32,34)/t20-,22-,28+,29+/m0/s1
SMILES: CCCCCCCCCCCCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOCC)C4=C[C@@H]([C@H]([C@H]2[C@@H]43)CCCCO)CCCCO)N(CC5=CC=CC6=CC=CC=C65)C(=O)OCCCCCCCCCCCC)OCC=C
InChI: InChI=1S/C66H99N3O9/c1-5-9-11-13-15-17-19-21-23-29-42-67-64(72)77-54-40-41-60-58(48-54)62-56(39-28-31-44-71)52(35-27-30-43-70)47-57-59(68-76-8-4)49-61(66(78-60,63(57)62)75-45-7-3)69(50-53-37-33-36-51-34-25-26-38-55(51)53)65(73)74-46-32-24-22-20-18-16-14-12-10-6-2/h7,25-26,33-34,36-38,40-41,47-48,52,56,61-63,70-71H,3,5-6,8-24,27-32,35,39,42-46,49-50H2,1-2,4H3,(H,67,72)/t52-,56+,61-,62+,63+,66+/m0/s1
SMILES: CCCN(CCC)C(=O)[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)O)N=C(N)N)NC(=O)C
InChI: InChI=1S/C16H27N5O5/c1-4-6-21(7-5-2)14(23)13-12(19-9(3)22)10(20-16(17)18)8-11(26-13)15(24)25/h8,10,12-13H,4-7H2,1-3H3,(H,19,22)(H,24,25)(H4,17,18,20)/t10-,12+,13+/m1/s1
SMILES: C[C@]12CCC(=O)C[C@@H]1C(=O)C[C@@H]3[C@@H]2CC[C@]4([C@@H]3CCC4=O)C
InChI: InChI=1S/C19H26O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h12-15H,3-10H2,1-2H3/t12-,13+,14-,15+,18+,19-/m0/s1
SMILES: COC(=O)[C@@H]1[C@H]([C@@H]([C@@H](N1)C2=CC=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H17ClN2O4/c1-25-18(22)16-14(11-7-9-13(19)10-8-11)17(21(23)24)15(20-16)12-5-3-2-4-6-12/h2-10,14-17,20H,1H3/t14-,15+,16+,17+/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@]34[C@H]1CC[C@](OC3OC2(C)C)(OO4)C
InChI: InChI=1S/C15H24O4/c1-9-5-6-11-13(2,3)16-12-15(11)10(9)7-8-14(4,17-12)18-19-15/h9-12H,5-8H2,1-4H3/t9-,10+,11+,12?,14-,15-/m1/s1
SMILES: CC1=C[C@@H]2[C@](CC1)([C@]3([C@H](C(=O)[C@H]([C@@]34CO4)O2)O)C)COC(=O)C
InChI: InChI=1S/C17H22O6/c1-9-4-5-16(7-21-10(2)18)11(6-9)23-14-12(19)13(20)15(16,3)17(14)8-22-17/h6,11,13-14,20H,4-5,7-8H2,1-3H3/t11-,13+,14-,15-,16-,17+/m1/s1
SMILES: COCCOC(=O)N1C2=CC=CC=C2[C@]3(C1=O)[C@@H]([C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]3C5=CC=C(C=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NCC8=NC9=CC=CC=C9N8
InChI: InChI=1S/C47H43N5O9/c1-58-26-27-60-46(57)51-36-19-11-8-16-33(36)47(45(51)56)38(43(54)48-28-37-49-34-17-9-10-18-35(34)50-37)40-44(55)61-41(30-14-6-3-7-15-30)39(29-12-4-2-5-13-29)52(40)42(47)31-20-22-32(23-21-31)59-25-24-53/h2-23,38-42,53H,24-28H2,1H3,(H,48,54)(H,49,50)/t38-,39-,40-,41+,42+,47-/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3)O
InChI: InChI=1S/C20H23FN2O4S/c21-15-10-12-16(13-11-15)23(28(26,27)17-6-2-1-3-7-17)14-20(25)22-18-8-4-5-9-19(18)24/h1-3,6-7,10-13,18-19,24H,4-5,8-9,14H2,(H,22,25)/t18-,19-/m1/s1
SMILES: CC1=CC(=C(C=C1)NC(=O)[C@H]2[C@@H](NC(=S)NC2=C)C3=CC(=C(C=C3)OC)OC)C
InChI: InChI=1S/C22H25N3O3S/c1-12-6-8-16(13(2)10-12)24-21(26)19-14(3)23-22(29)25-20(19)15-7-9-17(27-4)18(11-15)28-5/h6-11,19-20H,3H2,1-2,4-5H3,(H,24,26)(H2,23,25,29)/t19-,20+/m1/s1
SMILES: CCN1C=NC2=C(C1=N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O.I
InChI: InChI=1S/C12H17N5O4.HI/c1-2-16-4-15-11-7(10(16)13)14-5-17(11)12-9(20)8(19)6(3-18)21-12;/h4-6,8-9,12-13,18-20H,2-3H2,1H3;1H/t6-,8-,9-,12-;/m1./s1
SMILES: CCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)F)O)C)C(=O)SCI
InChI: InChI=1S/C24H30FIO5S/c1-4-19(29)31-24(21(30)32-12-26)8-6-15-14-10-17(25)16-9-13(27)5-7-22(16,2)20(14)18(28)11-23(15,24)3/h5,7,9,14-15,17-18,20,28H,4,6,8,10-12H2,1-3H3/t14-,15-,17-,18-,20+,22-,23-,24-/m0/s1
SMILES: CC1=CCCC(=C[C@@H]2[C@@H]([C@H](C1)OC(=O)C(=C)C(CO)O)C(=C)OC2=O)CO
InChI: InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-15-18(13(3)26-20(15)25)17(7-11)27-19(24)12(2)16(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/t15-,16?,17+,18+/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN6CCOCC6)O)C(=C5)C(=O)C7=CC=CC=C7C8=CC=CC=C8)O)C
InChI: InChI=1S/C39H47NO4/c1-35-15-12-28(41)24-37(35)18-19-39(31(25-37)34(42)30-11-7-6-10-29(30)27-8-4-3-5-9-27)32(35)13-16-36(2)33(39)14-17-38(36,43)26-40-20-22-44-23-21-40/h3-11,18-19,25,28,32-33,41,43H,12-17,20-24,26H2,1-2H3/t28?,32-,33-,35-,36+,37+,38-,39-/m1/s1
SMILES: CCCCCCC[C@@H]1[C@H](OC(O1)(C)C)C/C=C\CC[C@@H](CC)O
InChI: InChI=1S/C20H38O3/c1-5-7-8-9-12-15-18-19(23-20(3,4)22-18)16-13-10-11-14-17(21)6-2/h10,13,17-19,21H,5-9,11-12,14-16H2,1-4H3/b13-10-/t17-,18-,19-/m1/s1