EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=CC2=C(C(=C1OC)C)N=C(C=C2O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C)NC(=O)OC4CCCC4)C(=O)N[C@@]5(C[C@H]5C=C)C(=O)O)C6=CSC(=N6)NC(=O)CC(C)(C)C
InChI: InChI=1S/C44H58N6O9S/c1-11-25-19-44(25,39(54)55)49-37(52)31-17-27(21-50(31)38(53)36(43(7,8)9)48-41(56)59-26-14-12-13-15-26)58-32-18-29(45-34-24(3)35(57-10)23(2)16-28(32)34)30-22-60-40(46-30)47-33(51)20-42(4,5)6/h11,16,18,22,25-27,31,36H,1,12-15,17,19-21H2,2-10H3,(H,48,56)(H,49,52)(H,54,55)(H,46,47,51)/t25-,27-,31+,36-,44-/m1/s1
SMILES: CN(C)CCN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@@H]4[C@H]3C(=NO4)C5=C(C(=CC=C5)OC)OC
InChI: InChI=1S/C22H27N3O5/c1-24(2)8-9-25-21(26)15-12-10-13(16(15)22(25)27)20-17(12)18(23-30-20)11-6-5-7-14(28-3)19(11)29-4/h5-7,12-13,15-17,20H,8-10H2,1-4H3/t12-,13+,15+,16-,17+,20+/m0/s1
SMILES: C[NH+](C)C[C@H]1CCCC[C@@H]1OC(=O)C2=CC3=CC=CC=C3O2
InChI: InChI=1S/C18H23NO3/c1-19(2)12-14-8-4-6-10-16(14)22-18(20)17-11-13-7-3-5-9-15(13)21-17/h3,5,7,9,11,14,16H,4,6,8,10,12H2,1-2H3/p+1/t14-,16+/m1/s1
SMILES: CCOC(=O)N1CC[C@H]([C@H](C1)C=C)CCO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C28H39NO3Si/c1-6-23-22-29(27(30)31-7-2)20-18-24(23)19-21-32-33(28(3,4)5,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h6,8-17,23-24H,1,7,18-22H2,2-5H3/t23-,24-/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)CC(=O)[O-]
InChI: InChI=1S/C17H17NO4/c19-13(20)7-9-1-5-12(6-2-9)18-16(21)14-10-3-4-11(8-10)15(14)17(18)22/h1-2,5-6,10-11,14-15H,3-4,7-8H2,(H,19,20)/p-1/t10-,11+,14-,15-/m0/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)OC3=CC(=CC=C3)Cl
InChI: InChI=1S/C17H18ClNO4/c18-11-4-3-5-12(10-11)23-15(20)8-9-19-16(21)13-6-1-2-7-14(13)17(19)22/h3-5,10,13-14H,1-2,6-9H2/t13-,14-/m1/s1
SMILES: CC(C)(C)OC(=O)N(C[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)S(=O)(=O)N[C@@H](CC4=CC=CC=C4)C(=O)OC
InChI: InChI=1S/C25H33N7O8S/c1-25(2,3)40-24(35)32(41(36,37)30-16(23(34)38-4)10-15-8-6-5-7-9-15)12-18-17(33)11-19(39-18)31-14-29-20-21(26)27-13-28-22(20)31/h5-9,13-14,16-19,30,33H,10-12H2,1-4H3,(H2,26,27,28)/t16-,17-,18+,19+/m0/s1
SMILES: C1C[C@H]([C@@H](C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])NCCC3=CC=C(C=C3)Cl
InChI: InChI=1S/C19H22ClN3O4S/c20-15-6-4-14(5-7-15)12-13-21-18-2-1-3-19(18)22-28(26,27)17-10-8-16(9-11-17)23(24)25/h4-11,18-19,21-22H,1-3,12-13H2/t18-,19-/m1/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@H]1C(=O)CN5CCN(CC5)C6=NC(=NC(=N6)N7CCCC7)N8CCCC8)C)C
InChI: InChI=1S/C37H51N7O2/c1-25-22-30-28-9-8-26-23-27(45)10-12-36(26,2)29(28)11-13-37(30,3)32(25)31(46)24-41-18-20-44(21-19-41)35-39-33(42-14-4-5-15-42)38-34(40-35)43-16-6-7-17-43/h10-12,23,25,28,30,32H,4-9,13-22,24H2,1-3H3/t25-,28-,30+,32-,36+,37+/m1/s1
SMILES: CCOC(=O)OC(=O)/C=C\1/[C@@H]2C=C[C@]3([C@H]1[C@@H]([C@H]2COC(=O)C)N(C)C(=O)OCC=C)C4=CC=CC=C4N(C3=O)COC
InChI: InChI=1S/C30H34N2O10/c1-6-14-40-28(36)31(4)26-21(16-41-18(3)33)19-12-13-30(25(26)20(19)15-24(34)42-29(37)39-7-2)22-10-8-9-11-23(22)32(17-38-5)27(30)35/h6,8-13,15,19,21,25-26H,1,7,14,16-17H2,2-5H3/b20-15-/t19-,21-,25+,26+,30+/m0/s1
SMILES: C[C@]1(C[C@@]23C[C@H](C4=C(C(=O)[C@@H](C4(C)C)O)[C@]([C@@H]2CC[C@@H]1[C@H]3O)(C)O)O)O
InChI: InChI=1S/C20H30O6/c1-17(2)12-10(21)7-20-8-18(3,25)9(15(20)23)5-6-11(20)19(4,26)13(12)14(22)16(17)24/h9-11,15-16,21,23-26H,5-8H2,1-4H3/t9-,10-,11+,15-,16+,18-,19-,20+/m1/s1
SMILES: COC1=CC=CC(=C1)C(=O)[C@H]2[C@@H](C3([C@H]4N2C5=C(C=C4)C=C(C=C5)Cl)C(=O)C6=CC=CC=C6C3=O)C7=CC=CC=C7
InChI: InChI=1S/C34H24ClNO4/c1-40-24-11-7-10-22(19-24)31(37)30-29(20-8-3-2-4-9-20)34(32(38)25-12-5-6-13-26(25)33(34)39)28-17-14-21-18-23(35)15-16-27(21)36(28)30/h2-19,28-30H,1H3/t28-,29-,30+/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CC6=CC=C(C=C6)OC(F)(F)F)C(=O)NC7=CC=CC=C7)O)C(=C5)C(=O)C8=CC=CO8)O)C
InChI: InChI=1S/C42H45F3N2O6/c1-37-17-14-29(48)23-39(37)20-21-41(31(24-39)35(49)32-9-6-22-52-32)33(37)15-18-38(2)34(41)16-19-40(38,51)26-47(36(50)46-28-7-4-3-5-8-28)25-27-10-12-30(13-11-27)53-42(43,44)45/h3-13,20-22,24,29,33-34,48,51H,14-19,23,25-26H2,1-2H3,(H,46,50)/t29?,33-,34-,37-,38+,39+,40-,41-/m1/s1
SMILES: B([C@@H]1CCCN1C(=O)[C@H]2CN(C[C@H]2N)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F)(O)O
InChI: InChI=1S/C16H21BF3N3O6S/c18-16(19,20)29-10-3-5-11(6-4-10)30(27,28)22-8-12(13(21)9-22)15(24)23-7-1-2-14(23)17(25)26/h3-6,12-14,25-26H,1-2,7-9,21H2/t12-,13+,14-/m0/s1
SMILES: CC[C@H](C)C(=O)C(C)C(=O)C(C)C(=O)[C@H](C)[C@@H]([C@@H](C)[C@H]1[C@@H](CO[C@H](O1)C2=CC=C(C=C2)OC)C)OC(=O)CC(C)C
InChI: InChI=1S/C33H50O8/c1-11-19(4)28(35)21(6)29(36)22(7)30(37)23(8)32(40-27(34)16-18(2)3)24(9)31-20(5)17-39-33(41-31)25-12-14-26(38-10)15-13-25/h12-15,18-24,31-33H,11,16-17H2,1-10H3/t19-,20+,21?,22?,23-,24-,31+,32-,33+/m0/s1
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])N[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O
InChI: InChI=1S/C13H18N2O7/c1-6-2-3-7(15(20)21)4-8(6)14-13-12(19)11(18)10(17)9(5-16)22-13/h2-4,9-14,16-19H,5H2,1H3/t9-,10+,11+,12-,13+/m0/s1
SMILES: C1[C@@H]2[C@H](CO[C@@H]2C3=CC4=C(C=C3)OCO4)[C@H](O1)C5=CC6=C(C=C5)OCO6
InChI: InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14+,19-,20-/m1/s1
SMILES: CN1CC[C@@]2([C@H](C1)C3=CC=CC=C3O2)C4=CC(=CC=C4)Cl.Cl
InChI: InChI=1S/C18H18ClNO.ClH/c1-20-10-9-18(13-5-4-6-14(19)11-13)16(12-20)15-7-2-3-8-17(15)21-18;/h2-8,11,16H,9-10,12H2,1H3;1H/t16-,18+;/m1./s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)NNC(=O)C3=CC=C(C=C3)Br
InChI: InChI=1S/C18H21BrN4O4/c1-11-4-2-3-9-18(11)16(26)23(17(27)20-18)10-14(24)21-22-15(25)12-5-7-13(19)8-6-12/h5-8,11H,2-4,9-10H2,1H3,(H,20,27)(H,21,24)(H,22,25)/t11-,18-/m0/s1
SMILES: C[C@H]1[C@H]([C@H](C=CO1)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C20H22O3/c1-16-20(23-15-18-10-6-3-7-11-18)19(12-13-21-16)22-14-17-8-4-2-5-9-17/h2-13,16,19-20H,14-15H2,1H3/t16-,19-,20+/m0/s1
SMILES: C1C=CC[C@H]([C@@H]1C(=O)NC2=CC=C(C=C2)C(=O)[O-])C(=O)OCC(C(F)F)(F)F
InChI: InChI=1S/C18H17F4NO5/c19-17(20)18(21,22)9-28-16(27)13-4-2-1-3-12(13)14(24)23-11-7-5-10(6-8-11)15(25)26/h1-2,5-8,12-13,17H,3-4,9H2,(H,23,24)(H,25,26)/p-1/t12-,13-/m1/s1
SMILES: CCCN([C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)O)OCC=C)CCCCO)CCCCO)C(=O)C5=CC=C(C=C5)C#N
InChI: InChI=1S/C39H49N3O7/c1-4-18-42(38(46)27-14-12-26(25-40)13-15-27)35-24-33(41-47-3)31-22-28(10-6-8-19-43)30(11-7-9-20-44)36-32-23-29(45)16-17-34(32)49-39(35,37(31)36)48-21-5-2/h5,12-17,22-23,28,30,35-37,43-45H,2,4,6-11,18-21,24H2,1,3H3/t28-,30+,35-,36+,37+,39+/m0/s1
SMILES: C1[C@@H]2[C@@H]([C@@H]([C@@H]1SC3=CC=CC=C3[N+](=O)[O-])Cl)C4=C(C(=CC=C4)[N+](=O)[O-])N[C@H]2C5=CC(=CC=C5)[N+](=O)[O-]
InChI: InChI=1S/C24H19ClN4O6S/c25-22-20(36-19-10-2-1-8-17(19)28(32)33)12-16-21(22)15-7-4-9-18(29(34)35)24(15)26-23(16)13-5-3-6-14(11-13)27(30)31/h1-11,16,20-23,26H,12H2/t16-,20-,21+,22-,23+/m1/s1
SMILES: CO[C@@H]1[C@@]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)CC=C)(CC=C)O
InChI: InChI=1S/C20H26O5/c1-4-9-15-17-16(24-19(22-3)20(15,21)12-5-2)13-23-18(25-17)14-10-7-6-8-11-14/h4-8,10-11,15-19,21H,1-2,9,12-13H2,3H3/t15-,16+,17-,18+,19-,20-/m0/s1
SMILES: CC1=C2C(=CC=C1)[C@H]3C=CC[C@@H]3[C@@H](N2)C4=CC=C(C=C4)C(=O)OC
InChI: InChI=1S/C21H21NO2/c1-13-5-3-7-17-16-6-4-8-18(16)20(22-19(13)17)14-9-11-15(12-10-14)21(23)24-2/h3-7,9-12,16,18,20,22H,8H2,1-2H3/t16-,18+,20+/m1/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=C(C(=CC(=C8)Br)OC)O)C(=O)N(C7=O)C9=CC=C(C=C9)I)C
InChI: InChI=1S/C41H33BrClIN4O6S/c1-18-25-15-20(43)5-12-31(25)55-36(18)29-17-32(46(3)45-29)48-38(51)28-16-26-23(34(41(28,2)40(48)53)27-13-19(42)14-30(54-4)35(27)49)10-11-24-33(26)39(52)47(37(24)50)22-8-6-21(44)7-9-22/h5-10,12-15,17,24,26,28,33-34,49H,11,16H2,1-4H3/t24-,26+,28-,33-,34+,41+/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=NC=C5)NC(=O)OC(=O)C(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C
InChI: InChI=1S/C45H54N2O16/c1-22-27(60-38(54)32(51)31(25-15-17-46-18-16-25)47-40(56)62-39(55)41(4,5)6)20-45(57)36(61-37(53)26-13-11-10-12-14-26)34-43(9,28(50)19-29-44(34,21-58-29)63-24(3)49)35(52)33(59-23(2)48)30(22)42(45,7)8/h10-18,27-29,31-34,36,50-51,57H,19-21H2,1-9H3,(H,47,56)/t27-,28-,29+,31-,32+,33+,34-,36-,43+,44-,45+/m0/s1
SMILES: C1C[C@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-])[C@@]5(N2C1)C6=CC=CC=C6NC5=O
InChI: InChI=1S/C22H18N4O5/c27-19-17-16-9-4-10-24(16)22(14-7-1-2-8-15(14)23-21(22)29)18(17)20(28)25(19)12-5-3-6-13(11-12)26(30)31/h1-3,5-8,11,16-18H,4,9-10H2,(H,23,29)/t16-,17+,18-,22-/m0/s1
SMILES: CC1=CC(=O)[C@@H]2C[C@@H]([C@]1(O2)CO[Si](C)(C)C(C)(C)C)C#N
InChI: InChI=1S/C16H25NO3Si/c1-11-7-13(18)14-8-12(9-17)16(11,20-14)10-19-21(5,6)15(2,3)4/h7,12,14H,8,10H2,1-6H3/t12-,14+,16+/m1/s1
SMILES: CCCN=C(CC1=CC2=C(C=C1)NC3=C2C[C@]4(C5CC6=C7[C@]4(C3OC7=C(C=C6)O)CCN5CC8CC8)O)N
InChI: InChI=1S/C31H36N4O3/c1-2-10-33-25(32)13-18-5-7-22-20(12-18)21-15-31(37)24-14-19-6-8-23(36)28-26(19)30(31,29(38-28)27(21)34-22)9-11-35(24)16-17-3-4-17/h5-8,12,17,24,29,34,36-37H,2-4,9-11,13-16H2,1H3,(H2,32,33)/t24?,29?,30-,31+/m0/s1
SMILES: CC1=CC(=O)C2[C@@]([C@H]1/C=C/C3=COC=C3)(CCCC2(C)C)C
InChI: InChI=1S/C20H26O2/c1-14-12-17(21)18-19(2,3)9-5-10-20(18,4)16(14)7-6-15-8-11-22-13-15/h6-8,11-13,16,18H,5,9-10H2,1-4H3/b7-6+/t16-,18?,20+/m0/s1
SMILES: COC1=CC(=C(C=C1)[C@@H]2[C@H]3CCCC[C@]3(CCN2C(=O)C4=C(C=C(C=C4)OC)OC)O)OC
InChI: InChI=1S/C26H33NO6/c1-30-17-8-10-19(22(15-17)32-3)24-21-7-5-6-12-26(21,29)13-14-27(24)25(28)20-11-9-18(31-2)16-23(20)33-4/h8-11,15-16,21,24,29H,5-7,12-14H2,1-4H3/t21-,24-,26-/m1/s1
SMILES: C1C2=CC=C[C@@H]([C@H]2N3[C@]14C(=O)N5[C@@H]6[C@H](C=COC=C6C[C@]5(C3=O)SSSS4)OC(=O)[C@@H](C7=CC=CC=C7)O)OC(=O)CC8=CC=CC=C8
InChI: InChI=1S/C34H28N2O8S4/c37-26(16-20-8-3-1-4-9-20)43-24-13-7-12-22-17-33-31(40)36-28-23(18-34(36,46-48-47-45-33)32(41)35(33)27(22)24)19-42-15-14-25(28)44-30(39)29(38)21-10-5-2-6-11-21/h1-15,19,24-25,27-29,38H,16-18H2/t24-,25-,27-,28-,29+,33+,34+/m0/s1
SMILES: CC1=C2[C@@H]3[C@@H]([C@@]4(CC[C@@H]5[C@]([C@H]4[C@H]6[C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C7=CC=CC=C7)NC(=O)C8=CC=CC=C8)O)O[C@H](O6)C9=CC=CC=C9)(CO5)O)C)OC(O3)(C)C
InChI: InChI=1S/C46H53NO10/c1-26-30(53-40(50)34(48)33(27-16-10-7-11-17-27)47-39(49)28-18-12-8-13-19-28)24-46-38(54-41(57-46)29-20-14-9-15-21-29)36-44(6,23-22-31-45(36,51)25-52-31)37-35(32(26)42(46,2)3)55-43(4,5)56-37/h7-21,30-31,33-38,41,48,51H,22-25H2,1-6H3,(H,47,49)/t30-,31+,33-,34+,35+,36-,37-,38-,41-,44+,45-,46+/m0/s1
SMILES: CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)[C@H]3CS(=O)(=O)C[C@@H]3O
InChI: InChI=1S/C17H26N2O5S2/c1-13(2)14-3-5-15(6-4-14)26(23,24)19-9-7-18(8-10-19)16-11-25(21,22)12-17(16)20/h3-6,13,16-17,20H,7-12H2,1-2H3/t16-,17-/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)C4=CC=CC=C4CNC(=O)C5=CC=CC=C5)CN6CCCCCCC6
InChI: InChI=1S/C40H46N2O4/c1-29-37(27-42-24-10-3-2-4-11-25-42)45-40(46-38(29)32-18-16-30(28-43)17-19-32)34-22-20-31(21-23-34)36-15-9-8-14-35(36)26-41-39(44)33-12-6-5-7-13-33/h5-9,12-23,29,37-38,40,43H,2-4,10-11,24-28H2,1H3,(H,41,44)/t29-,37+,38+,40+/m0/s1
SMILES: C1C[C@@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC(=C(C=C4)F)Cl)[C@]5(N2C1)C6=C(C=CC(=C6)Cl)NC5=O
InChI: InChI=1S/C22H16Cl2FN3O3/c23-10-3-6-15-12(8-10)22(21(31)26-15)18-17(16-2-1-7-27(16)22)19(29)28(20(18)30)11-4-5-14(25)13(24)9-11/h3-6,8-9,16-18H,1-2,7H2,(H,26,31)/t16-,17+,18+,22-/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(C(=O)CO)O)C)O
InChI: InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16+,18-,19-,20-,21-/m0/s1
SMILES: C[C@H]1[C@H]2C3=C(C=CC(=C3)[N+](=O)[O-])O[C@]1(N(C(=S)N2)C4=CC=C(C=C4)C(C)C)C
InChI: InChI=1S/C21H23N3O3S/c1-12(2)14-5-7-15(8-6-14)23-20(28)22-19-13(3)21(23,4)27-18-10-9-16(24(25)26)11-17(18)19/h5-13,19H,1-4H3,(H,22,28)/t13-,19-,21+/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H](OC2=C(C1=O)C(=C(C(=C2)O)OC)O)C3=CC(=C(C=C3)O)O
InChI: InChI=1S/C18H16O9/c1-7(19)26-18-15(24)13-12(6-11(22)17(25-2)14(13)23)27-16(18)8-3-4-9(20)10(21)5-8/h3-6,16,18,20-23H,1-2H3/t16-,18+/m1/s1
SMILES: CC1=CC=C(C=C1)C2=C([C@]3([C@H]4[C@@H]([C@@]2(C3=O)C5=CC=CC=C5)C(=O)N(C4=O)C6=CC=CC=C6OC)C7=CC=CC=C7)C8=CC=C(C=C8)C
InChI: InChI=1S/C42H33NO4/c1-26-18-22-28(23-19-26)34-35(29-24-20-27(2)21-25-29)42(31-14-8-5-9-15-31)37-36(41(34,40(42)46)30-12-6-4-7-13-30)38(44)43(39(37)45)32-16-10-11-17-33(32)47-3/h4-25,36-37H,1-3H3/t36-,37+,41-,42+
SMILES: C1CC[C@@H]([C@@H](C1)C(=O)NC2=NC3=C(S2)CCCC3)C(=O)[O-]
InChI: InChI=1S/C15H20N2O3S/c18-13(9-5-1-2-6-10(9)14(19)20)17-15-16-11-7-3-4-8-12(11)21-15/h9-10H,1-8H2,(H,19,20)(H,16,17,18)/p-1/t9-,10+/m1/s1
SMILES: C1CN(CCN1C[C@@H]2C[C@@H]3C[C@H]2C=C3)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C18H23ClN2/c19-17-3-5-18(6-4-17)21-9-7-20(8-10-21)13-16-12-14-1-2-15(16)11-14/h1-6,14-16H,7-13H2/t14-,15+,16-/m0/s1
SMILES: COC1=CC=CC(=C1)NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3N4C(=NN=N4)SCC5=CC=CO5
InChI: InChI=1S/C20H21N5O6S/c1-27-13-5-2-4-12(8-13)21-20(26)31-16-10-30-17-15(9-29-18(16)17)25-19(22-23-24-25)32-11-14-6-3-7-28-14/h2-8,15-18H,9-11H2,1H3,(H,21,26)/t15-,16+,17+,18+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C(C[C@]34CO)(C)C
InChI: InChI=1S/C21H30O3/c1-19(2)11-21(12-22)13(10-18(19)24)4-5-14-15-6-7-17(23)20(15,3)9-8-16(14)21/h10,14-16,22H,4-9,11-12H2,1-3H3/t14-,15-,16-,20-,21+/m0/s1
SMILES: CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45C2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)(C)OC(=O)C)(OC5)C(=O)OC)O)O)C)O
InChI: InChI=1S/C30H38O13/c1-12(27(4,5)43-14(3)31)8-18(33)42-21-23-29-11-40-30(23,26(38)39-7)24(36)20(35)22(29)28(6)10-16(32)19(34)13(2)15(28)9-17(29)41-25(21)37/h8,15,17,20-24,34-36H,9-11H2,1-7H3/b12-8+/t15-,17+,20+,21+,22?,23+,24-,28-,29+,30-/m0/s1
SMILES: CC(C)C(=O)N[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C=CC(=O)N4C)C)C
InChI: InChI=1S/C23H36N2O2/c1-14(2)21(27)24-18-8-7-16-15-6-9-19-23(4,13-11-20(26)25(19)5)17(15)10-12-22(16,18)3/h11,13-19H,6-10,12H2,1-5H3,(H,24,27)/t15-,16-,17-,18-,19+,22-,23+/m0/s1
SMILES: C1=CC=C(C=C1)COC2=C(C=C(C=C2)[C@@H]3[C@H](C(C4=C(O3)C=C(C=C4OCC5=CC=CC=C5)OCC6=CC=CC=C6)SC7=NC8=CC=CC=C8S7)O)OCC9=CC=CC=C9
InChI: InChI=1S/C50H41NO6S2/c52-47-48(38-25-26-41(54-31-35-17-7-2-8-18-35)42(27-38)55-32-36-19-9-3-10-20-36)57-44-29-39(53-30-34-15-5-1-6-16-34)28-43(56-33-37-21-11-4-12-22-37)46(44)49(47)59-50-51-40-23-13-14-24-45(40)58-50/h1-29,47-49,52H,30-33H2/t47-,48-,49?/m1/s1
SMILES: CC(=CCCC(=C)[C@H]1C[C@H]([C@]([C@H](C1=O)OC(=O)C)(C)O)OC(=O)C)C
InChI: InChI=1S/C19H28O6/c1-11(2)8-7-9-12(3)15-10-16(24-13(4)20)19(6,23)18(17(15)22)25-14(5)21/h8,15-16,18,23H,3,7,9-10H2,1-2,4-6H3/t15-,16-,18+,19+/m1/s1
SMILES: C[C@H]([C@@H]1[C@H]2[C@H]3CCN(CC3=C(N2C1=O)C(=O)OCC=C)C(=O)C4=CC=NC=C4)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C27H37N3O5Si/c1-8-15-34-26(33)23-20-16-29(24(31)18-9-12-28-13-10-18)14-11-19(20)22-21(25(32)30(22)23)17(2)35-36(6,7)27(3,4)5/h8-10,12-13,17,19,21-22H,1,11,14-16H2,2-7H3/t17-,19+,21-,22-/m1/s1
SMILES: CO[C@@H]1[C@H]2[C@@H]([C@H]3[C@H](O1)CO[C@H](O3)C4=CC=CC=C4)SC(=O)O2
InChI: InChI=1S/C15H16O6S/c1-17-14-11-12(22-15(16)21-11)10-9(19-14)7-18-13(20-10)8-5-3-2-4-6-8/h2-6,9-14H,7H2,1H3/t9-,10-,11-,12-,13-,14+/m1/s1
SMILES: C1CC[C@H]([C@@H](C1)C2=NC3=CC=CC=C3S2)C(=O)OCC4=NC(=NC(=N4)N)N
InChI: InChI=1S/C18H20N6O2S/c19-17-22-14(23-18(20)24-17)9-26-16(25)11-6-2-1-5-10(11)15-21-12-7-3-4-8-13(12)27-15/h3-4,7-8,10-11H,1-2,5-6,9H2,(H4,19,20,22,23,24)/t10-,11-/m1/s1
SMILES: C[C@@]1([C@H](OC(O1)(C)C)CC[C@]2([C@@H](O2)CO)C)CCCOCC3=CC=CC=C3
InChI: InChI=1S/C22H34O5/c1-20(2)25-18(11-13-21(3)19(15-23)26-21)22(4,27-20)12-8-14-24-16-17-9-6-5-7-10-17/h5-7,9-10,18-19,23H,8,11-16H2,1-4H3/t18-,19+,21+,22+/m1/s1
SMILES: C[C@]1([C@@H]2CC[C@]1(C(=O)C2)CP(C3=CC=CC=C3)C4=CC=CC=C4)CP(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C34H34OP2/c1-33(25-36(28-14-6-2-7-15-28)29-16-8-3-9-17-29)27-22-23-34(33,32(35)24-27)26-37(30-18-10-4-11-19-30)31-20-12-5-13-21-31/h2-21,27H,22-26H2,1H3/t27-,33-,34-/m1/s1
SMILES: C1=CC=C2[C@@H]3[C@@H]4[C@H]([C@H](N3C=CC2=C1)C(=O)NC5=CC=CC(=C5)C(F)(F)F)C(=O)N(C4=O)C6=CC=C(C=C6)Br
InChI: InChI=1S/C28H19BrF3N3O3/c29-17-8-10-19(11-9-17)35-26(37)21-22(27(35)38)24(34-13-12-15-4-1-2-7-20(15)23(21)34)25(36)33-18-6-3-5-16(14-18)28(30,31)32/h1-14,21-24H,(H,33,36)/t21-,22+,23+,24-/m0/s1
SMILES: CCC1=C(N=C(C(=N1)N[C@H]2[C@H](CC3=CC=CC=C23)OCC)CC)C4=C(N=C(C=C4)N(C)C)C
InChI: InChI=1S/C27H35N5O/c1-7-21-25(19-14-15-24(32(5)6)28-17(19)4)29-22(8-2)27(30-21)31-26-20-13-11-10-12-18(20)16-23(26)33-9-3/h10-15,23,26H,7-9,16H2,1-6H3,(H,30,31)/t23-,26+/m0/s1
SMILES: C1=CC=C2C(=C1)[C@@H]3[C@H]([C@@H](SC4=C3SC(=O)N4)C(=O)[O-])C(=O)O2
InChI: InChI=1S/C14H9NO5S2/c16-12(17)10-8-7(9-11(21-10)15-14(19)22-9)5-3-1-2-4-6(5)20-13(8)18/h1-4,7-8,10H,(H,15,19)(H,16,17)/p-1/t7-,8-,10-/m1/s1
SMILES: [2H][C@]1([C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O)C(=O)OC
InChI: InChI=1S/C11H14N2O6/c1-5-4-13(11(17)12-9(5)15)7-3-6(14)8(19-7)10(16)18-2/h4,6-8,14H,3H2,1-2H3,(H,12,15,17)/t6-,7+,8-/m0/s1/i8D
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](N(O[C@H]3C2=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5
InChI: InChI=1S/C24H19ClN2O4/c1-30-19-13-11-17(12-14-19)26-23(28)20-21(15-5-3-2-4-6-15)27(31-22(20)24(26)29)18-9-7-16(25)8-10-18/h2-14,20-22H,1H3/t20-,21+,22+/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@@H](O3)S(=O)(=O)C4=CC=CC=C4
InChI: InChI=1S/C25H28O4SSi/c1-25(2,3)31(21-15-9-5-10-16-21,22-17-11-6-12-18-22)28-19-23-24(29-23)30(26,27)20-13-7-4-8-14-20/h4-18,23-24H,19H2,1-3H3/t23-,24+/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C2(C)C)[C@H]3C1=C[C@@H]([C@H]3C)OC(=O)C
InChI: InChI=1S/C17H26O2/c1-9-6-7-13-16(17(13,4)5)15-10(2)14(8-12(9)15)19-11(3)18/h8-10,13-16H,6-7H2,1-5H3/t9-,10-,13-,14+,15-,16-/m1/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)CCC(=O)O)CN5CC[C@@H](C5)O
InChI: InChI=1S/C34H40N2O7/c1-22-30(20-36-15-14-29(38)19-36)42-34(43-33(22)25-10-8-23(21-37)9-11-25)28-7-3-6-27(17-28)26-5-2-4-24(16-26)18-35-31(39)12-13-32(40)41/h2-11,16-17,22,29-30,33-34,37-38H,12-15,18-21H2,1H3,(H,35,39)(H,40,41)/t22-,29+,30+,33+,34+/m1/s1
SMILES: C[C@H]1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)C3=C(C=CC(=C3)C)C
InChI: InChI=1S/C17H21NO2/c1-10-5-7-13-14(8-10)17(20)18(16(13)19)15-9-11(2)4-6-12(15)3/h4,6,9-10,13-14H,5,7-8H2,1-3H3/t10-,13+,14+/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)C4=CC=CC=C4CNC(=O)[C@H](C)OC(=O)C)CN5CCC6=CC(=C(C=C6C5)OC)OC
InChI: InChI=1S/C42H48N2O8/c1-26-39(24-44-19-18-33-20-37(48-4)38(49-5)21-35(33)23-44)51-42(52-40(26)31-12-10-29(25-45)11-13-31)32-16-14-30(15-17-32)36-9-7-6-8-34(36)22-43-41(47)27(2)50-28(3)46/h6-17,20-21,26-27,39-40,42,45H,18-19,22-25H2,1-5H3,(H,43,47)/t26-,27+,39+,40+,42+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)C2=CC3=NC=CN=C3C=C2
InChI: InChI=1S/C18H21N3O3/c1-12-4-2-3-5-14(12)21-17(22)11-24-18(23)13-6-7-15-16(10-13)20-9-8-19-15/h6-10,12,14H,2-5,11H2,1H3,(H,21,22)/t12-,14-/m1/s1
SMILES: CC1(O[C@H]([C@H](O1)SC2=NC=CS2)CN3C=C(C4=CC=CC=C43)C#N)C
InChI: InChI=1S/C18H17N3O2S2/c1-18(2)22-15(16(23-18)25-17-20-7-8-24-17)11-21-10-12(9-19)13-5-3-4-6-14(13)21/h3-8,10,15-16H,11H2,1-2H3/t15-,16+/m0/s1
SMILES: COC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=O)C=COC3=C2)O)O)O)O
InChI: InChI=1S/C16H16O10/c1-23-15(22)14-12(20)11(19)13(21)16(26-14)25-6-4-8(18)10-7(17)2-3-24-9(10)5-6/h2-5,11-14,16,18-21H,1H3/t11-,12-,13+,14-,16+/m0/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)OC)OC
InChI: InChI=1S/C27H38N2O4/c1-6-7-8-18-15-29-16-21(17-9-10-24(30-2)25(11-17)31-3)19-12-26(32-4)27(33-5)13-20(19)23(29)14-22(18)28/h9-13,18,21-23H,6-8,14-16,28H2,1-5H3/t18-,21-,22+,23-/m1/s1
SMILES: CCC(=O)N(N(C)C)OC1CC[C@@]2(C3CC[C@@]4([C@H](CCC4C3CC=C2C1)[C@H](C)CCCC(C)C)C)C.Cl
InChI: InChI=1S/C32H56N2O2.ClH/c1-9-30(35)34(33(7)8)36-25-17-19-31(5)24(21-25)13-14-26-28-16-15-27(23(4)12-10-11-22(2)3)32(28,6)20-18-29(26)31;/h13,22-23,25-29H,9-12,14-21H2,1-8H3;1H/t23-,25?,26?,27-,28?,29?,31+,32-;/m1./s1
SMILES: CC1=CC=C(C=C1)C(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@H]3OC(=O)NC4=CC=C(C=C4)C(=O)C
InChI: InChI=1S/C23H24N2O6/c1-13-3-5-16(6-4-13)22(27)25-18-11-29-21-19(12-30-20(18)21)31-23(28)24-17-9-7-15(8-10-17)14(2)26/h3-10,18-21H,11-12H2,1-2H3,(H,24,28)(H,25,27)/t18-,19+,20+,21+/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1CC[C@H]2[C@@H](C[C@H](N2C1=O)C(=O)O)CC3=CC=CC=C3
InChI: InChI=1S/C21H28N2O5/c1-21(2,3)28-20(27)22-15-9-10-16-14(11-13-7-5-4-6-8-13)12-17(19(25)26)23(16)18(15)24/h4-8,14-17H,9-12H2,1-3H3,(H,22,27)(H,25,26)/t14-,15+,16+,17+/m1/s1
SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(O2)/C=N\N3C(=O)[C@@H]4[C@@H]5C[C@H]([C@@H]4C3=O)C=C5
InChI: InChI=1S/C21H17N3O6/c1-29-16-6-4-13(24(27)28)9-15(16)17-7-5-14(30-17)10-22-23-20(25)18-11-2-3-12(8-11)19(18)21(23)26/h2-7,9-12,18-19H,8H2,1H3/b22-10-/t11-,12+,18+,19-
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3
InChI: InChI=1S/C18H29N3O3S2/c1-14-5-3-6-16(15(14)2)19-17(22)13-20-8-10-21(11-9-20)26(23,24)18-7-4-12-25-18/h4,7,12,14-16H,3,5-6,8-11,13H2,1-2H3,(H,19,22)/p+1/t14-,15+,16-/m0/s1
SMILES: CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)NC2=CC=CC=C2O)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)CCCO
InChI: InChI=1S/C28H33N3O6/c1-4-36-28-20(13-10-16-32)21(17-24(37-28)26(34)29-22-14-8-9-15-23(22)33)25-18(2)30(3)31(27(25)35)19-11-6-5-7-12-19/h5-9,11-12,14-15,17,20-21,28,32-33H,4,10,13,16H2,1-3H3,(H,29,34)/t20-,21+,28-/m1/s1
SMILES: COC1=C(C=C2[C@H]([C@@H](CCCC2=C1)O)/C=C/C(=O)OC)OC
InChI: InChI=1S/C17H22O5/c1-20-15-9-11-5-4-6-14(18)12(7-8-17(19)22-3)13(11)10-16(15)21-2/h7-10,12,14,18H,4-6H2,1-3H3/b8-7+/t12-,14-/m1/s1
SMILES: CCCN1CCC[C@H]2[C@@H]1CCC3=C2C=CC=C3OS(=O)(=O)C(F)(F)F
InChI: InChI=1S/C17H22F3NO3S/c1-2-10-21-11-4-6-13-12-5-3-7-16(14(12)8-9-15(13)21)24-25(22,23)17(18,19)20/h3,5,7,13,15H,2,4,6,8-11H2,1H3/t13-,15+/m1/s1
SMILES: C[C@@H]([C@@](C(C)C)(C(=O)OC[C@@H]1CC[N+]2([C@H]1CCC2)[O-])O)O
InChI: InChI=1S/C15H27NO5/c1-10(2)15(19,11(3)17)14(18)21-9-12-6-8-16(20)7-4-5-13(12)16/h10-13,17,19H,4-9H2,1-3H3/t11-,12-,13-,15-,16?/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)NC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)CN(C)CCC6=CC=CC=N6
InChI: InChI=1S/C40H42N4O5/c1-28-37(26-44(2)25-23-32-8-6-7-24-41-32)48-39(49-38(28)30-13-11-29(27-45)12-14-30)31-15-17-33(18-16-31)42-40(46)43-34-19-21-36(22-20-34)47-35-9-4-3-5-10-35/h3-22,24,28,37-39,45H,23,25-27H2,1-2H3,(H2,42,43,46)/t28-,37+,38+,39+/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C32H36O7/c1-3-19-35-32-31(38-24(2)33)30(37-22-27-17-11-6-12-18-27)29(36-21-26-15-9-5-10-16-26)28(39-32)23-34-20-25-13-7-4-8-14-25/h3-18,28-32H,1,19-23H2,2H3/t28-,29-,30+,31-,32-/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@@H]3C2=O)[C@@H]5[C@@H]4N=NN5C6=CC=CC=C6[N+](=O)[O-]
InChI: InChI=1S/C22H19N5O4/c1-11-6-8-12(9-7-11)25-21(28)17-13-10-14(18(17)22(25)29)20-19(13)23-24-26(20)15-4-2-3-5-16(15)27(30)31/h2-9,13-14,17-20H,10H2,1H3/t13-,14+,17-,18+,19-,20-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=C(C(=CC(=C2)Cl)Cl)N
InChI: InChI=1S/C17H22Cl2N2O3/c1-9-4-3-5-14(10(9)2)21-15(22)8-24-17(23)12-6-11(18)7-13(19)16(12)20/h6-7,9-10,14H,3-5,8,20H2,1-2H3,(H,21,22)/t9-,10+,14+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN([C@@H]3[C@@H]2OCCO3)S(=O)(=O)C4=CC=C(C=C4)C
InChI: InChI=1S/C20H24N2O6S2/c1-15-3-7-17(8-4-15)29(23,24)21-11-12-22(20-19(21)27-13-14-28-20)30(25,26)18-9-5-16(2)6-10-18/h3-10,19-20H,11-14H2,1-2H3/t19-,20-/m0/s1
SMILES: C=CCO[C@@H]1[C@H](O[C@H]2CC=CCO[C@@H]2[C@H]1OCC3=CC=CC=C3)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C39H40O5/c1-2-26-40-37-35(44-34-25-15-16-27-41-36(34)38(37)42-28-30-17-7-3-8-18-30)29-43-39(31-19-9-4-10-20-31,32-21-11-5-12-22-32)33-23-13-6-14-24-33/h2-24,34-38H,1,25-29H2/t34-,35+,36-,37+,38+/m0/s1
SMILES: C[C@@H](CC[C@@H]1[C@]2(CCCC([C@@H]2C[C@@H]3[C@]1(O3)COC(=O)C)(C)C)C)CCOC(=O)C
InChI: InChI=1S/C24H40O5/c1-16(10-13-27-17(2)25)8-9-19-23(6)12-7-11-22(4,5)20(23)14-21-24(19,29-21)15-28-18(3)26/h16,19-21H,7-15H2,1-6H3/t16-,19+,20-,21+,23+,24-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=C(C=C34)Br)O
InChI: InChI=1S/C18H21BrO2/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(20)15(19)9-13(10)11/h8-9,11-12,14,20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1
SMILES: CC(C(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)O)NOCC3=CC=CC=C3
InChI: InChI=1S/C20H23N3O7S/c1-11(22-30-8-13-6-4-3-5-7-13)17(25)21-15-18(26)23-16(20(27)28)14(9-29-12(2)24)10-31-19(15)23/h3-7,11,15,19,22H,8-10H2,1-2H3,(H,21,25)(H,27,28)/t11?,15-,19-/m1/s1
SMILES: C1=CC=C(C=C1)CN(C[C@H]2[C@@H](O2)COCC3=CC=CC=C3)CC4=CC=CC=C4
InChI: InChI=1S/C25H27NO2/c1-4-10-21(11-5-1)16-26(17-22-12-6-2-7-13-22)18-24-25(28-24)20-27-19-23-14-8-3-9-15-23/h1-15,24-25H,16-20H2/t24-,25-/m0/s1