EdisonScientific/glyph-datasets huggingface dataset:
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=CC=C6)C)C(=O)N(C4=O)C7=CC=C(C=C7)N=NC8=CC=C(C=C8)N(C)C)O
InChI: InChI=1S/C42H39N5O5/c1-24-22-25(10-21-35(24)48)37-31-19-20-32-36(33(31)23-34-39(50)47(41(52)42(34,37)2)29-8-6-5-7-9-29)40(51)46(38(32)49)30-17-13-27(14-18-30)44-43-26-11-15-28(16-12-26)45(3)4/h5-19,21-22,32-34,36-37,48H,20,23H2,1-4H3/t32-,33+,34-,36-,37-,42+/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)C(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C17H15NO4/c19-15-13-11-6-7-12(8-11)14(13)16(20)18(15)17(21)22-9-10-4-2-1-3-5-10/h1-7,11-14H,8-9H2/t11-,12+,13-,14+
SMILES: CO[C@@H]1[C@H]([C@@H]2[C@@H]([C@H](O1)CO)OC(=O)[C@@H](CC=CC[C@H](C(=O)O2)CC3=NC4=CC=CC=C4O3)CC5=NC6=CC=CC=C6O5)OC(=O)C7=CC=CC=C7
InChI: InChI=1S/C38H36N2O11/c1-45-38-34(51-35(42)22-11-3-2-4-12-22)33-32(29(21-41)48-38)49-36(43)23(19-30-39-25-15-7-9-17-27(25)46-30)13-5-6-14-24(37(44)50-33)20-31-40-26-16-8-10-18-28(26)47-31/h2-12,15-18,23-24,29,32-34,38,41H,13-14,19-21H2,1H3/t23-,24-,29+,32+,33-,34-,38-/m0/s1
SMILES: C[C@@H](C(=O)NC1=CC=CC(=C1)C2O[C@@H]([C@H]([C@@H](O2)C3=CC=C(C=C3)CO)C4=CC=CC=C4)CSC5=NC(=C(O5)C6=CC=CC=C6)C7=CC=CC=C7)OC(=O)C
InChI: InChI=1S/C44H40N2O7S/c1-28(50-29(2)48)42(49)45-36-20-12-19-35(25-36)43-51-37(38(31-13-6-3-7-14-31)40(52-43)34-23-21-30(26-47)22-24-34)27-54-44-46-39(32-15-8-4-9-16-32)41(53-44)33-17-10-5-11-18-33/h3-25,28,37-38,40,43,47H,26-27H2,1-2H3,(H,45,49)/t28-,37+,38+,40-,43?/m0/s1
SMILES: COC1=CC2=C(C=C1)[C@H]([C@H](CC2)C3=CC=CC=C3)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C31H29NO2/c1-34-26-18-20-28-25(21-26)17-19-27(22-11-5-2-6-12-22)30(28)32-31(33)29(23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,18,20-21,27,29-30H,17,19H2,1H3,(H,32,33)/t27-,30+/m1/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=C)[C@@H]1C/C=C\CCCC(=O)O)O)O
InChI: InChI=1S/C21H34O4/c1-3-4-7-10-17(22)13-14-19-18(16(2)15-20(19)23)11-8-5-6-9-12-21(24)25/h5,8,13-14,17-20,22-23H,2-4,6-7,9-12,15H2,1H3,(H,24,25)/b8-5-,14-13+/t17-,18-,19+,20+/m0/s1
SMILES: C[C@H]1COC/C(=C\C[C@H](NC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)CC=C)(C)C)O)C2=CC3=C(C=C2)SC(=N3)C)/Cl
InChI: InChI=1S/C28H37ClN2O5S/c1-6-7-20-26(34)16(2)14-36-15-19(29)9-10-21(18-8-11-23-22(12-18)30-17(3)37-23)31-25(33)13-24(32)28(4,5)27(20)35/h6,8-9,11-12,16,20-21,24,26,32,34H,1,7,10,13-15H2,2-5H3,(H,31,33)/b19-9+/t16-,20+,21-,24-,26-/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)OC[C@H]2[C@@H]([C@@H]([C@H](O2)N3C=CC(=O)NC3=O)O)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C23H20N2O8/c26-17-11-12-25(23(30)24-17)20-18(27)19(33-22(29)15-9-5-2-6-10-15)16(32-20)13-31-21(28)14-7-3-1-4-8-14/h1-12,16,18-20,27H,13H2,(H,24,26,30)/t16-,18-,19-,20-/m0/s1
SMILES: CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)C(=CC(=O)[C@]4([C@H]3C=CC5=CC(=C(C(=C5)OC)O)OC)C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C40H37NO7/c1-4-41-38(45)27-17-16-26-29(35(27)39(41)46)21-31-36(43)28(24-11-7-5-8-12-24)22-34(42)40(31,25-13-9-6-10-14-25)30(26)18-15-23-19-32(47-2)37(44)33(20-23)48-3/h5-16,18-20,22,27,29-31,35,44H,4,17,21H2,1-3H3/t27-,29+,30-,31-,35-,40-/m0/s1
SMILES: COC1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)SC3=CC=CC=C3)OCC4=CC=C(C=C4)OC)OCC5=CC=C(C=C5)OC)OCC6=CC=C(C=C6)OC
InChI: InChI=1S/C44H48O9S/c1-45-35-18-10-31(11-19-35)26-49-30-40-41(50-27-32-12-20-36(46-2)21-13-32)42(51-28-33-14-22-37(47-3)23-15-33)43(44(53-40)54-39-8-6-5-7-9-39)52-29-34-16-24-38(48-4)25-17-34/h5-25,40-44H,26-30H2,1-4H3/t40-,41-,42+,43-,44+/m1/s1
SMILES: CCCC[C@@H]1CN2C[C@@H](C3=CC(=C(C=C3[C@H]2C[C@@H]1N)OC)OC)C4=CC=C(C=C4)O
InChI: InChI=1S/C25H34N2O3/c1-4-5-6-17-14-27-15-21(16-7-9-18(28)10-8-16)19-11-24(29-2)25(30-3)12-20(19)23(27)13-22(17)26/h7-12,17,21-23,28H,4-6,13-15,26H2,1-3H3/t17-,21-,22+,23-/m1/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)OC(=O)NC3=CC=CC(=C3)C(F)(F)F)NC(=O)C4=CN=CN=C4
InChI: InChI=1S/C19H17F3N4O5/c20-19(21,22)11-2-1-3-12(4-11)25-18(28)31-14-8-30-15-13(7-29-16(14)15)26-17(27)10-5-23-9-24-6-10/h1-6,9,13-16H,7-8H2,(H,25,28)(H,26,27)/t13-,14+,15+,16+/m0/s1
SMILES: CC(C)(C)C1=CC2=C(C=C1)[C@@H]3[C@@H]4[C@H]([C@@H]2C5=C3C=C(C=C5)C(C)(C)C)C(=O)N(C4=O)C6=CC(=CC=C6)Cl
InChI: InChI=1S/C32H32ClNO2/c1-31(2,3)17-10-12-21-23(14-17)25-22-13-11-18(32(4,5)6)15-24(22)26(21)28-27(25)29(35)34(30(28)36)20-9-7-8-19(33)16-20/h7-16,25-28H,1-6H3/t25-,26+,27+,28-
SMILES: CC(C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC)C)C(=O)OC(=O)C7=CC(=C(C(=C7)OC)OC)OC
InChI: InChI=1S/C50H70O11/c1-28(2)31-16-21-50(45(53)61-44(52)30-26-35(56-10)42(59-13)36(27-30)57-11)23-22-48(6)32(40(31)50)14-15-38-47(5)19-18-39(46(3,4)37(47)17-20-49(38,48)7)60-43(51)29-24-33(54-8)41(58-12)34(25-29)55-9/h24-28,31-32,37-40H,14-23H2,1-13H3/t31-,32+,37-,38+,39-,40+,47-,48+,49+,50-/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(CC(=C)CC4)C
InChI: InChI=1S/C21H34O/c1-14-5-6-15-7-8-16-17(19(15,2)13-14)9-11-20(3)18(16)10-12-21(20,4)22/h15-18,22H,1,5-13H2,2-4H3/t15-,16+,17-,18+,19+,20+,21+/m1/s1
SMILES: C[C@H]1C[C@]2([C@@H](CC[C@]2(C#C)OC(=O)C)[C@H]3[C@H]1[C@H]4CC[C@@H](C=C4CC3)OC(=O)C)C
InChI: InChI=1S/C25H34O4/c1-6-25(29-17(4)27)12-11-22-21-9-7-18-13-19(28-16(3)26)8-10-20(18)23(21)15(2)14-24(22,25)5/h1,13,15,19-23H,7-12,14H2,2-5H3/t15-,19-,20-,21-,22-,23+,24-,25-/m0/s1
SMILES: CC1=C(NC2=C1CC3[C@H]4CC5=C6[C@]3([C@H]2OC6=C(C=C5)OC)CCN4C)C(=O)N7CCN(CC7)C8=CC=CC=C8
InChI: InChI=1S/C32H36N4O3/c1-19-22-18-23-24-17-20-9-10-25(38-3)29-26(20)32(23,11-12-34(24)2)30(39-29)28(22)33-27(19)31(37)36-15-13-35(14-16-36)21-7-5-4-6-8-21/h4-10,23-24,30,33H,11-18H2,1-3H3/t23?,24-,30+,32+/m1/s1
SMILES: COC1=CC(=CC(=C1O)[C@H]2C3=CCN4C(=O)N(C(=O)N4[C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C7=CC=CC=C7)Br
InChI: InChI=1S/C31H22BrCl2FN4O6/c1-45-23-14-16(32)13-21(25(23)40)24-20-11-12-36-28(43)38(18-5-3-2-4-6-18)29(44)39(36)22(20)15-30(33)26(41)37(27(42)31(24,30)34)19-9-7-17(35)8-10-19/h2-11,13-14,22,24,40H,12,15H2,1H3/t22-,24-,30-,31+/m1/s1
SMILES: CC1=CN(C(=O)N(C1=O)CCCCCNC(=O)C(F)(F)F)[C@@H]2C[C@@H]([C@H](O2)COP(=O)(CP(=O)(O)O)O)N=[N+]=[N-]
InChI: InChI=1S/C18H27F3N6O10P2/c1-11-8-27(17(30)26(15(11)28)6-4-2-3-5-23-16(29)18(19,20)21)14-7-12(24-25-22)13(37-14)9-36-39(34,35)10-38(31,32)33/h8,12-14H,2-7,9-10H2,1H3,(H,23,29)(H,34,35)(H2,31,32,33)/t12-,13+,14-/m0/s1
SMILES: CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC(=CC=C3)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O
InChI: InChI=1S/C32H39NO7/c1-4-26(23-11-8-12-25(19-23)39-32-31(37)30(36)29(35)27(20-34)40-32)28(21-9-6-5-7-10-21)22-13-15-24(16-14-22)38-18-17-33(2)3/h5-16,19,27,29-32,34-37H,4,17-18,20H2,1-3H3/b28-26-/t27-,29-,30+,31-,32-/m0/s1
SMILES: CCOC(=O)C1=C(C=C(C=C1)NC(=O)CN2CC[C@H]([C@H](C2)OC)NC(=O)C3=CC(=C(C=C3OC)N)Cl)C4=CC=CC=N4
InChI: InChI=1S/C30H34ClN5O6/c1-4-42-30(39)19-9-8-18(13-20(19)24-7-5-6-11-33-24)34-28(37)17-36-12-10-25(27(16-36)41-3)35-29(38)21-14-22(31)23(32)15-26(21)40-2/h5-9,11,13-15,25,27H,4,10,12,16-17,32H2,1-3H3,(H,34,37)(H,35,38)/t25-,27+/m1/s1
SMILES: C[C@@H]1C[C@H]1C(=O)OCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C
InChI: InChI=1S/C18H19NO4/c1-10-8-13(10)17(20)23-9-15-16(18(21)22-3)11(2)12-6-4-5-7-14(12)19-15/h4-7,10,13H,8-9H2,1-3H3/t10-,13-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CSC2=NN=C(N2CCC[NH+](C)C)C3=CC=NC=C3
InChI: InChI=1S/C21H32N6OS/c1-16-7-4-5-8-18(16)23-19(28)15-29-21-25-24-20(17-9-11-22-12-10-17)27(21)14-6-13-26(2)3/h9-12,16,18H,4-8,13-15H2,1-3H3,(H,23,28)/p+1/t16-,18+/m0/s1
SMILES: C[C@H]1C=C([C@H]2[C@@H]([C@@H]1CO[C@@H]2C3=CC(=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)OC)C)C
InChI: InChI=1S/C26H30O5/c1-15-11-16(2)24-17(3)21(15)14-31-25(24)20-9-10-22(23(12-20)29-4)30-13-18-5-7-19(8-6-18)26(27)28/h5-12,15,17,21,24-25H,13-14H2,1-4H3,(H,27,28)/t15-,17+,21+,24-,25+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CC(=O)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C19H20N2O6/c1-11-4-2-3-5-13(11)21-18(24)17(23)20(19(21)25)9-14(22)12-6-7-15-16(8-12)27-10-26-15/h6-8,11,13H,2-5,9-10H2,1H3/t11-,13+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@]2([C@@H]3CC[C@H]4C[C@@H]5C[C@@]4([C@]3(CC[C@H]2O)C)CC[C@@]5(C)O)C
InChI: InChI=1S/C27H40O5S/c1-18-5-8-21(9-6-18)33(30,31)32-17-24(2)22-10-7-19-15-20-16-27(19,14-13-26(20,4)29)25(22,3)12-11-23(24)28/h5-6,8-9,19-20,22-23,28-29H,7,10-17H2,1-4H3/t19-,20+,22-,23+,24-,25-,26+,27-/m0/s1
SMILES: CN(C)C1=CC=C(C=C1)[C@@H]2CC(=O)C=C([C@@H]2N3C=NC=N3)O
InChI: InChI=1S/C16H18N4O2/c1-19(2)12-5-3-11(4-6-12)14-7-13(21)8-15(22)16(14)20-10-17-9-18-20/h3-6,8-10,14,16,22H,7H2,1-2H3/t14-,16+/m0/s1
SMILES: COC1=C(C(=C(C=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4Cl)ON2C5=CC=CC=C5)OC)OC
InChI: InChI=1S/C26H23ClN2O6/c1-32-19-14-13-16(22(33-2)23(19)34-3)21-20-24(35-29(21)15-9-5-4-6-10-15)26(31)28(25(20)30)18-12-8-7-11-17(18)27/h4-14,20-21,24H,1-3H3/t20-,21-,24+/m1/s1
SMILES: CO[C@H]1[C@H](C2=C(C=CC=C2O)C3=C4CCC(C5=C(C=CC(=C45)C13)O)NC6CC6)O
InChI: InChI=1S/C24H25NO4/c1-29-24-21-14-8-10-17(27)22-15(25-11-5-6-11)9-7-13(19(14)22)18(21)12-3-2-4-16(26)20(12)23(24)28/h2-4,8,10-11,15,21,23-28H,5-7,9H2,1H3/t15?,21?,23-,24+/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)C(=CC(=O)[C@]3([C@H]2C4=C(C=C(C=C4)O)Cl)C5=CC=CC=C5)C6=CC=CC=C6)[C@@H]7[C@H]1C(=O)N(C7=O)CCCC(=O)O
InChI: InChI=1S/C38H32ClNO7/c39-30-18-23(41)13-14-25(30)34-24-15-16-26-33(37(47)40(36(26)46)17-7-12-32(43)44)28(24)19-29-35(45)27(21-8-3-1-4-9-21)20-31(42)38(29,34)22-10-5-2-6-11-22/h1-6,8-11,13-15,18,20,26,28-29,33-34,41H,7,12,16-17,19H2,(H,43,44)/t26-,28+,29-,33-,34+,38-/m0/s1
SMILES: CC[C@H]1C[C@]2([C@@H](CC[C@]2(/C=C\[125I])O)[C@H]3[C@H]1C4=C(CC3)C=C(C=C4)O)C
InChI: InChI=1S/C22H29IO2/c1-3-14-13-21(2)19(8-9-22(21,25)10-11-23)18-6-4-15-12-16(24)5-7-17(15)20(14)18/h5,7,10-12,14,18-20,24-25H,3-4,6,8-9,13H2,1-2H3/b11-10-/t14-,18-,19-,20+,21-,22+/m0/s1/i23-2
SMILES: C1[C@@H]2[C@H]([C@H]([C@H]1SC3=CC=CC=C3[N+](=O)[O-])Cl)C4=C(C=CC(=C4)C(=O)O)N[C@@H]2C5=CC=CC=C5Cl
InChI: InChI=1S/C25H20Cl2N2O4S/c26-17-6-2-1-5-14(17)24-16-12-21(34-20-8-4-3-7-19(20)29(32)33)23(27)22(16)15-11-13(25(30)31)9-10-18(15)28-24/h1-11,16,21-24,28H,12H2,(H,30,31)/t16-,21+,22-,23+,24-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)C)O)O)O)O)O
InChI: InChI=1S/C27H30O15/c1-8-17(32)20(35)22(37)26(38-8)42-25-21(36)18(33)9(2)39-27(25)41-24-19(34)16-14(31)6-11(28)7-15(16)40-23(24)10-3-4-12(29)13(30)5-10/h3-9,17-18,20-22,25-33,35-37H,1-2H3/t8-,9-,17-,18-,20+,21+,22+,25+,26-,27-/m0/s1
SMILES: CC1=CC=C(C=C1)[C@H]2C[C@@H]2C3=NNC(=S)N3C4=CC(=C(C=C4)F)Cl
InChI: InChI=1S/C18H15ClFN3S/c1-10-2-4-11(5-3-10)13-9-14(13)17-21-22-18(24)23(17)12-6-7-16(20)15(19)8-12/h2-8,13-14H,9H2,1H3,(H,22,24)/t13-,14+/m1/s1
SMILES: C[C@H](CCC(C(C)(C)N=[N+]=[N-])O)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[Si](C)(C)C(C)(C)C)C)C)C
InChI: InChI=1S/C36H65N3O2Si/c1-24(14-17-29(40)33(7,8)38-39-37)25-18-22-36(11)27-15-16-28-32(5,6)30(41-42(12,13)31(2,3)4)20-21-34(28,9)26(27)19-23-35(25,36)10/h24-25,28-30,40H,14-23H2,1-13H3/t24-,25-,28+,29?,30+,34-,35-,36+/m1/s1
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C26H36O17/c1-10-19(36-12(3)28)21(37-13(4)29)23(39-15(6)31)25(35-10)43-20-18(9-34-11(2)27)42-26(41-17(8)33)24(40-16(7)32)22(20)38-14(5)30/h10,18-26H,9H2,1-8H3/t10-,18-,19+,20+,21+,22+,23-,24-,25-,26-/m1/s1
SMILES: C1[C@H]([C@H]2C(=NNC2=O)C[C@]1(C3=CC=CC=C3)O)C4=CC=CC=C4
InChI: InChI=1S/C19H18N2O2/c22-18-17-15(13-7-3-1-4-8-13)11-19(23,12-16(17)20-21-18)14-9-5-2-6-10-14/h1-10,15,17,23H,11-12H2,(H,21,22)/t15-,17-,19+/m0/s1
SMILES: CC1=C2C[C@]3([C@H](C[C@@H]4[C@]([C@@H]2CC1=O)(O4)C)[C@@H](CC3=O)C(C)C)C
InChI: InChI=1S/C20H28O3/c1-10(2)12-6-17(22)19(4)9-13-11(3)16(21)7-15(13)20(5)18(23-20)8-14(12)19/h10,12,14-15,18H,6-9H2,1-5H3/t12-,14+,15+,18+,19-,20-/m0/s1
SMILES: CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)OP(=O)(O)O
InChI: InChI=1S/C31H40N5O8P/c1-16(2)26-28(38)35-11-7-10-24(35)31(44-45(40,41)42)36(26)29(39)30(43-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32H,7,10-11,13,15H2,1-5H3,(H,33,37)(H2,40,41,42)/t19-,23-,24+,26+,30-,31-/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C=C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C29H32O5/c1-3-25-26(31-19-22-13-7-4-8-14-22)27(32-20-23-15-9-5-10-16-23)28(29(30-2)34-25)33-21-24-17-11-6-12-18-24/h3-18,25-29H,1,19-21H2,2H3/t25-,26-,27+,28-,29+/m1/s1
SMILES: CC(=O)[C@H]1[C@H](C(=C(C[C@]1(C)O)O)C(=O)C)C2=CC=CO2
InChI: InChI=1S/C15H18O5/c1-8(16)12-10(18)7-15(3,19)14(9(2)17)13(12)11-5-4-6-20-11/h4-6,13-14,18-19H,7H2,1-3H3/t13-,14-,15-/m0/s1
SMILES: COC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N3CCC[C@@H]4[C@H]3CCCC4
InChI: InChI=1S/C20H26N4O2S/c1-26-16-10-8-15(9-11-16)19-21-20(23-22-19)27-13-18(25)24-12-4-6-14-5-2-3-7-17(14)24/h8-11,14,17H,2-7,12-13H2,1H3,(H,21,22,23)/t14-,17-/m1/s1
SMILES: C1CC=C2[C@@H](C1)[C@@H](C(C(=N)[C@@H]2C#N)(C#N)C#N)C3=CC(=CC=C3)Cl
InChI: InChI=1S/C19H15ClN4/c20-13-5-3-4-12(8-13)17-15-7-2-1-6-14(15)16(9-21)18(24)19(17,10-22)11-23/h3-6,8,15-17,24H,1-2,7H2/t15-,16-,17+/m1/s1
SMILES: C1[C@H](C2=C(C=C(C3=C2OC(=C(C3=O)O)C4=CC(=C(C(=C4)O[C@H]5[C@H]([C@@H]([C@@H]([C@H](O5)COC1=O)O)O)O)O)O)O)O)C6=CC=C(C=C6)O
InChI: InChI=1S/C30H26O15/c31-12-3-1-10(2-4-12)13-7-19(35)42-9-18-23(37)25(39)27(41)30(44-18)43-17-6-11(5-16(34)22(17)36)28-26(40)24(38)21-15(33)8-14(32)20(13)29(21)45-28/h1-6,8,13,18,23,25,27,30-34,36-37,39-41H,7,9H2/t13-,18+,23+,25+,27-,30+/m0/s1
SMILES: C[C@]12CCC[C@@]3([C@H]1C[C@H]4[C@@H](C2)OC(=O)[C@H]4CNCCN5CCOCC5)CO3
InChI: InChI=1S/C21H34N2O4/c1-20-3-2-4-21(14-26-21)18(20)11-15-16(19(24)27-17(15)12-20)13-22-5-6-23-7-9-25-10-8-23/h15-18,22H,2-14H2,1H3/t15-,16+,17-,18+,20-,21+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)C2=NC=C(N=C2)C
InChI: InChI=1S/C16H23N3O3/c1-10-6-4-5-7-13(10)19-15(20)12(3)22-16(21)14-9-17-11(2)8-18-14/h8-10,12-13H,4-7H2,1-3H3,(H,19,20)/t10-,12-,13+/m1/s1
SMILES: CC(C)NC(=O)C(=O)NNC(=O)CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O
InChI: InChI=1S/C16H24N4O5/c1-9(2)17-13(22)14(23)19-18-12(21)7-8-20-15(24)10-5-3-4-6-11(10)16(20)25/h9-11H,3-8H2,1-2H3,(H,17,22)(H,18,21)(H,19,23)/t10-,11+
SMILES: C[C@H]1CC(=O)[C@@]23[C@@H]1CC[C@@]2(C=C([C@H]3C)C(=O)OC)C
InChI: InChI=1S/C16H22O3/c1-9-7-13(17)16-10(2)11(14(18)19-4)8-15(16,3)6-5-12(9)16/h8-10,12H,5-7H2,1-4H3/t9-,10+,12+,15+,16+/m0/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@@H](NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Br
InChI: InChI=1S/C18H15BrClN/c19-16-7-2-1-4-14(16)18-13-6-3-5-12(13)15-10-11(20)8-9-17(15)21-18/h1-5,7-10,12-13,18,21H,6H2/t12-,13+,18+/m0/s1
SMILES: CC1=CC(=C(C(=O)N1)CNC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)C
InChI: InChI=1S/C17H24N2O2/c1-10-5-11(2)19-17(21)15(10)9-18-16(20)8-14-7-12-3-4-13(14)6-12/h5,12-14H,3-4,6-9H2,1-2H3,(H,18,20)(H,19,21)/t12-,13+,14+/m0/s1
SMILES: C[C@H](CCCOC(=O)C1=CC2=CC=CC=C2N=C1)[C@H]3CC[C@@H]4[C@@]3([C@H](C[C@H]5[C@H]4[C@@H](C[C@H]6[C@@]5(CC[C@H](C6)OC(=O)C7=CC8=CC=CC=C8N=C7)C)O)O)C
InChI: InChI=1S/C44H52N2O6/c1-26(9-8-18-51-41(49)29-19-27-10-4-6-12-36(27)45-24-29)33-14-15-34-40-35(23-39(48)44(33,34)3)43(2)17-16-32(21-31(43)22-38(40)47)52-42(50)30-20-28-11-5-7-13-37(28)46-25-30/h4-7,10-13,19-20,24-26,31-35,38-40,47-48H,8-9,14-18,21-23H2,1-3H3/t26-,31+,32-,33-,34+,35+,38-,39+,40+,43+,44-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H](CC[C@H]2N1C(=O)C2)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C20H41NO3Si2/c1-19(2,3)25(7,8)23-14-16-17(24-26(9,10)20(4,5)6)12-11-15-13-18(22)21(15)16/h15-17H,11-14H2,1-10H3/t15-,16-,17-/m1/s1
SMILES: C[C@@H](C(=O)O[C@H](C)C(=O)NC1=CC2=C(CCC2)C=C1)N3C(=O)[C@@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C23H28N2O5/c1-13(25-21(27)18-8-3-4-9-19(18)22(25)28)23(29)30-14(2)20(26)24-17-11-10-15-6-5-7-16(15)12-17/h10-14,18-19H,3-9H2,1-2H3,(H,24,26)/t13-,14+,18-,19+/m0/s1
SMILES: CCCCC[C@@H](/C=C/C1[C@H]([C@H](CC1=O)O)C/C=C\CCCC(=O)O)O
InChI: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17?,18-/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3[C@H]4CCC[NH+]4[C@@H]([C@@H]3C2=O)C(=O)C5=CC=C(C=C5)Cl)C
InChI: InChI=1S/C24H23ClN2O3/c1-13-5-10-17(12-14(13)2)27-23(29)19-18-4-3-11-26(18)21(20(19)24(27)30)22(28)15-6-8-16(25)9-7-15/h5-10,12,18-21H,3-4,11H2,1-2H3/p+1/t18-,19+,20-,21+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]2C=C[C@]3(C4=C(C[C@]3(C)C5=CC=CC=C5)C=CC=C24)C(=O)O[C@@H]6C[C@@H](CC[C@H]6C(C)(C)C7=CC=CC=C7)C)C(C)(C)C8=CC=CC=C8
InChI: InChI=1S/C53H62O4/c1-35-26-28-43(50(3,4)38-19-11-8-12-20-38)45(32-35)56-48(54)42-30-31-53(47-37(18-17-25-41(42)47)34-52(53,7)40-23-15-10-16-24-40)49(55)57-46-33-36(2)27-29-44(46)51(5,6)39-21-13-9-14-22-39/h8-25,30-31,35-36,42-46H,26-29,32-34H2,1-7H3/t35-,36-,42-,43-,44-,45-,46-,52-,53+/m1/s1
SMILES: CSC1=CC=C(C=C1)CCN2CC[C@]34CCCC[C@H]3[C@H]2CC5=C4C=C(C=C5)O
InChI: InChI=1S/C25H31NOS/c1-28-21-9-5-18(6-10-21)11-14-26-15-13-25-12-3-2-4-22(25)24(26)16-19-7-8-20(27)17-23(19)25/h5-10,17,22,24,27H,2-4,11-16H2,1H3/t22-,24+,25+/m0/s1
SMILES: CCCC[C@H](C(=O)OC(C)C)N1C(=O)[C@@H]2[C@H](C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35
InChI: InChI=1S/C27H29NO4/c1-4-5-14-20(27(31)32-15(2)3)28-25(29)23-21-16-10-6-7-11-17(16)22(24(23)26(28)30)19-13-9-8-12-18(19)21/h6-13,15,20-24H,4-5,14H2,1-3H3/t20-,21?,22?,23-,24+/m1/s1
SMILES: CC1=C2CC[C@@]3([C@@](C2=CC4=C1C=CO4)([C@H](C[C@H](C3(C)C)OC(=O)C)OC(=O)C)C)O
InChI: InChI=1S/C24H30O6/c1-13-16-7-9-24(27)22(4,5)20(29-14(2)25)12-21(30-15(3)26)23(24,6)18(16)11-19-17(13)8-10-28-19/h8,10-11,20-21,27H,7,9,12H2,1-6H3/t20-,21+,23+,24-/m1/s1
SMILES: CC1=C[C@H]2[C@H](C(=O)C3=C2NC4=CC=CC=C43)C(C1)(C)C
InChI: InChI=1S/C18H19NO/c1-10-8-12-15(18(2,3)9-10)17(20)14-11-6-4-5-7-13(11)19-16(12)14/h4-8,12,15,19H,9H2,1-3H3/t12-,15+/m0/s1
SMILES: CCOP(OCC)OC1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)C(=O)OC
InChI: InChI=1S/C24H38NO15P/c1-9-34-41(35-10-2)40-24(23(31)32-8)11-18(36-15(5)28)20(25-13(3)26)22(39-24)21(38-17(7)30)19(37-16(6)29)12-33-14(4)27/h18-22H,9-12H2,1-8H3,(H,25,26)/t18-,19+,20+,21+,22+,24?/m0/s1
SMILES: COC1=CC(=CC(=C1OC(=O)NC2=CC=C(C=C2)SC)OC)[C@H]3[C@@H]4[C@@H](CC5=CC6=C(C=C35)OCO6)COC4=O
InChI: InChI=1S/C29H27NO8S/c1-33-23-10-16(11-24(34-2)27(23)38-29(32)30-18-4-6-19(39-3)7-5-18)25-20-12-22-21(36-14-37-22)9-15(20)8-17-13-35-28(31)26(17)25/h4-7,9-12,17,25-26H,8,13-14H2,1-3H3,(H,30,32)/t17-,25+,26-/m0/s1
SMILES: CC1=NC=C(S1)COC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)O
InChI: InChI=1S/C18H18N6O6S3/c1-7-20-3-8(33-7)4-30-10-6-31-16-12(15(26)24(16)13(10)17(27)28)22-14(25)11(23-29-2)9-5-32-18(19)21-9/h3,5,12,16H,4,6H2,1-2H3,(H2,19,21)(H,22,25)(H,27,28)/b23-11-/t12-,16-/m1/s1
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)OC(=O)C)C)O)NC(=O)C)C
InChI: InChI=1S/C25H39NO5/c1-14(27)19-6-7-20-18-12-22(26-15(2)28)25(30)13-17(31-16(3)29)8-11-24(25,5)21(18)9-10-23(19,20)4/h17-22,30H,6-13H2,1-5H3,(H,26,28)/t17-,18-,19+,20-,21-,22+,23+,24+,25-/m0/s1
SMILES: CC1=CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=CC=C3OCC(=O)C4=CC=C(C=C4)Br
InChI: InChI=1S/C23H20BrNO4/c1-14-6-11-17-18(12-14)23(28)25(22(17)27)19-4-2-3-5-21(19)29-13-20(26)15-7-9-16(24)10-8-15/h2-10,17-18H,11-13H2,1H3/t17-,18+/m0/s1
SMILES: CCC1=CC=C(C=C1)NC(=O)[C@@H]2CCCC[C@H]2C(=O)OCC3=CC=CC=C3[N+](=O)[O-]
InChI: InChI=1S/C23H26N2O5/c1-2-16-11-13-18(14-12-16)24-22(26)19-8-4-5-9-20(19)23(27)30-15-17-7-3-6-10-21(17)25(28)29/h3,6-7,10-14,19-20H,2,4-5,8-9,15H2,1H3,(H,24,26)/t19-,20-/m1/s1
SMILES: CCCC[C@@H]([C@@H]1[C@H](OC(O1)(C)C)[C@@H](CC#C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C26H52O4Si2/c1-15-17-19-21(30-32(13,14)25(6,7)8)23-22(27-26(9,10)28-23)20(18-16-2)29-31(11,12)24(3,4)5/h2,20-23H,15,17-19H2,1,3-14H3/t20-,21+,22-,23-/m1/s1
SMILES: COS(=O)[C@@H]1[C@@H]2C[C@H]([C@@H]1NC3=CC=CC=C3)C=C2
InChI: InChI=1S/C14H17NO2S/c1-17-18(16)14-11-8-7-10(9-11)13(14)15-12-5-3-2-4-6-12/h2-8,10-11,13-15H,9H2,1H3/t10-,11+,13+,14-,18?/m1/s1
SMILES: C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)O)C)C
InChI: InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22-,23-,24+,25+,26+,28-,29+,30-,31+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC2=C3CSCC3=NN2C4=CC=CC=C4
InChI: InChI=1S/C20H24N4O2S/c1-13-7-5-6-10-16(13)21-19(25)20(26)22-18-15-11-27-12-17(15)23-24(18)14-8-3-2-4-9-14/h2-4,8-9,13,16H,5-7,10-12H2,1H3,(H,21,25)(H,22,26)/t13-,16-/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)[C@]([NH2+][C@@H]3C4=CC=C(C=C4)O)(C)C(=O)OC
InChI: InChI=1S/C22H22N2O5/c1-12-4-8-14(9-5-12)24-19(26)16-17(20(24)27)22(2,21(28)29-3)23-18(16)13-6-10-15(25)11-7-13/h4-11,16-18,23,25H,1-3H3/p+1/t16-,17+,18-,22-/m1/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H](CCO[C@@H]2CNC(=O)C3=CC4=CC=CC=C4C=C3)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O[C@@H](CC6CCCCC6)C(=O)O)O)O)O)O
InChI: InChI=1S/C38H53NO15/c1-19-28(41)30(43)31(44)37(50-19)54-33-24(13-14-49-26(33)17-39-35(46)23-12-11-21-9-5-6-10-22(21)16-23)52-38-32(45)34(29(42)27(18-40)53-38)51-25(36(47)48)15-20-7-3-2-4-8-20/h5-6,9-12,16,19-20,24-34,37-38,40-45H,2-4,7-8,13-15,17-18H2,1H3,(H,39,46)(H,47,48)/t19-,24+,25-,26+,27+,28+,29-,30+,31-,32+,33-,34-,37-,38+/m0/s1
SMILES: C[C@@H]\1[C@H]2C(CC/C1=C\C(=O)OCCN(C)C)[C@]3(CC[C@@H](C([C@@H]3CC2=O)(C)C)O)C
InChI: InChI=1S/C24H39NO4/c1-15-16(13-21(28)29-12-11-25(5)6)7-8-17-22(15)18(26)14-19-23(2,3)20(27)9-10-24(17,19)4/h13,15,17,19-20,22,27H,7-12,14H2,1-6H3/b16-13+/t15-,17?,19-,20-,22-,24+/m0/s1
SMILES: COC1=CC=C(C=C1)C2=CC3=C(C=C2)NC(=O)[C@@H]4[C@H](CCN4C3=O)NC(=O)CCC(=O)O
InChI: InChI=1S/C23H23N3O6/c1-32-15-5-2-13(3-6-15)14-4-7-17-16(12-14)23(31)26-11-10-18(21(26)22(30)25-17)24-19(27)8-9-20(28)29/h2-7,12,18,21H,8-11H2,1H3,(H,24,27)(H,25,30)(H,28,29)/t18-,21-/m0/s1
SMILES: C#CC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H](C[C@H](O3)CO)O)N
InChI: InChI=1S/C12H13N5O3/c1-2-8-15-10(13)9-11(16-8)17(5-14-9)12-7(19)3-6(4-18)20-12/h1,5-7,12,18-19H,3-4H2,(H2,13,15,16)/t6-,7+,12+/m0/s1
SMILES: CCCN([C@H]1CC(=NOC2CCCCO2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OCCN6CC6)OCC=C)CCCCO)CCCCO)C(=O)C=CC7=CC=C(C=C7)[N+](=O)[O-]
InChI: InChI=1S/C48H64N4O10/c1-3-22-51(44(55)21-16-34-14-17-36(18-15-34)52(56)57)43-33-41(49-62-45-13-7-10-29-59-45)39-31-35(11-5-8-26-53)38(12-6-9-27-54)46-40-32-37(58-30-25-50-23-24-50)19-20-42(40)61-48(43,47(39)46)60-28-4-2/h4,14-21,31-32,35,38,43,45-47,53-54H,2-3,5-13,22-30,33H2,1H3/t35-,38+,43-,45?,46+,47+,48+/m0/s1
SMILES: CCCN1[C@@H]([C@H](C(=O)N1)NC(=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C19H21N3O2/c1-2-13-22-17(14-9-5-3-6-10-14)16(19(24)21-22)20-18(23)15-11-7-4-8-12-15/h3-12,16-17H,2,13H2,1H3,(H,20,23)(H,21,24)/t16-,17-/m1/s1
SMILES: COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)C3(C4=CC=CC=C4C2(C5=CC=CC=C53)Br)Br
InChI: InChI=1S/C21H15Br2NO4/c1-28-15(25)10-24-18(26)16-17(19(24)27)21(23)12-7-3-2-6-11(12)20(16,22)13-8-4-5-9-14(13)21/h2-9,16-17H,10H2,1H3/t16-,17-,20?,21?/m1/s1
SMILES: C1=CC(=CC(=C1)I)CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CCl)O)O
InChI: InChI=1S/C17H17ClIN5O3/c18-5-11-13(25)14(26)17(27-11)24-8-23-12-15(21-7-22-16(12)24)20-6-9-2-1-3-10(19)4-9/h1-4,7-8,11,13-14,17,25-26H,5-6H2,(H,20,21,22)/t11-,13-,14-,17-/m1/s1
SMILES: C1=CC=C(C=C1)CN2[C@H]([C@@H](C2=O)CNC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C25H24N2O3/c28-24-22(16-26-25(29)30-18-20-12-6-2-7-13-20)23(21-14-8-3-9-15-21)27(24)17-19-10-4-1-5-11-19/h1-15,22-23H,16-18H2,(H,26,29)/t22-,23-/m0/s1
SMILES: C=CCN(C1CCN(CC1)C[C@H]2CN(C[C@@H]2C3=CC=CC=C3)C(=O)C4CCCCC4)C5=CC=CC=C5
InChI: InChI=1S/C32H43N3O/c1-2-20-35(29-16-10-5-11-17-29)30-18-21-33(22-19-30)23-28-24-34(32(36)27-14-8-4-9-15-27)25-31(28)26-12-6-3-7-13-26/h2-3,5-7,10-13,16-17,27-28,30-31H,1,4,8-9,14-15,18-25H2/t28-,31+/m0/s1
SMILES: C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CCC3=COC=C3)CCC=C2OC(=O)CC(=O)O)C
InChI: InChI=1S/C22H30O5/c1-15-7-10-22(3)17(21(15,2)11-8-16-9-12-26-14-16)5-4-6-18(22)27-20(25)13-19(23)24/h6,9,12,14-15,17H,4-5,7-8,10-11,13H2,1-3H3,(H,23,24)/t15-,17-,21+,22-/m1/s1
SMILES: C[C@H](C(=O)N)NC(=O)C1=C[C@H]([C@H]([C@@H](C1)O)O)NC(=O)CC[NH3+]
InChI: InChI=1S/C13H22N4O5/c1-6(12(15)21)16-13(22)7-4-8(11(20)9(18)5-7)17-10(19)2-3-14/h4,6,8-9,11,18,20H,2-3,5,14H2,1H3,(H2,15,21)(H,16,22)(H,17,19)/p+1/t6-,8-,9-,11-/m1/s1
SMILES: CO[C@@H]1C[C@H](O[C@@H]([C@H]1OC(=O)C2=CC=CC=C2)CBr)CC=O
InChI: InChI=1S/C16H19BrO5/c1-20-13-9-12(7-8-18)21-14(10-17)15(13)22-16(19)11-5-3-2-4-6-11/h2-6,8,12-15H,7,9-10H2,1H3/t12-,13-,14-,15+/m1/s1
SMILES: CC1(OC[C@@H]([C@@H](O1)C2=CC=CC=C2)N=CC#CC(C)(C)C)C
InChI: InChI=1S/C19H25NO2/c1-18(2,3)12-9-13-20-16-14-21-19(4,5)22-17(16)15-10-7-6-8-11-15/h6-8,10-11,13,16-17H,14H2,1-5H3/t16-,17-/m0/s1