EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1[C@@H]2C=C[C@H](C13N[C@@H]([C@H](N3)C4=CC=CC=C4)C5=CC=CC=C5)O2
InChI: InChI=1S/C20H20N2O/c1-3-7-14(8-4-1)18-19(15-9-5-2-6-10-15)22-20(21-18)13-16-11-12-17(20)23-16/h1-12,16-19,21-22H,13H2/t16-,17+,18+,19+/m0/s1
SMILES: CCCCCCCC([C@@]1(C[C@@H]([C@H]([C@@H](O1)C([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O
InChI: InChI=1S/C19H35NO9/c1-3-4-5-6-7-8-14(25)19(18(27)28)9-12(23)15(20-11(2)22)17(29-19)16(26)13(24)10-21/h12-17,21,23-26H,3-10H2,1-2H3,(H,20,22)(H,27,28)/t12-,13+,14?,15+,16?,17+,19-/m0/s1
SMILES: C[C@@H]1CCC=C2[C@]1([C@H]([C@H]3[C@H](C2)OC(=O)[C@H]3C[NH+]4CCN(CC4)C5=CC=CC(=C5)C)O)C
InChI: InChI=1S/C26H36N2O3/c1-17-6-4-9-20(14-17)28-12-10-27(11-13-28)16-21-23-22(31-25(21)30)15-19-8-5-7-18(2)26(19,3)24(23)29/h4,6,8-9,14,18,21-24,29H,5,7,10-13,15-16H2,1-3H3/p+1/t18-,21+,22+,23-,24+,26+/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3C(=O)[C@@H]4[C@H](O3)CC(=O)O4
InChI: InChI=1S/C23H26O5Si/c1-23(2,3)29(16-10-6-4-7-11-16,17-12-8-5-9-13-17)26-15-19-21(25)22-18(27-19)14-20(24)28-22/h4-13,18-19,22H,14-15H2,1-3H3/t18-,19-,22+/m1/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)C4(C(=O)C5=CC=CC=C5C4=O)O[C@@H]3C6=CC(=CC=C6)F)Cl
InChI: InChI=1S/C27H17ClFNO5/c1-13-9-10-16(12-19(13)28)30-25(33)20-21(26(30)34)27(35-22(20)14-5-4-6-15(29)11-14)23(31)17-7-2-3-8-18(17)24(27)32/h2-12,20-22H,1H3/t20-,21+,22-/m1/s1
SMILES: CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC(=C4[C@@]3(CCC(=C4)OC)C)C#N)C
InChI: InChI=1S/C25H31NO5/c1-14(27)31-13-22(29)19-6-5-18-17-9-15(12-26)20-10-16(30-4)7-8-24(20,2)23(17)21(28)11-25(18,19)3/h10,17-19,23H,5-9,11,13H2,1-4H3/t17-,18-,19+,23+,24-,25-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CN2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)F)F
InChI: InChI=1S/C19H27F2N3O3S/c1-14-4-2-3-5-17(14)22-19(25)13-23-8-10-24(11-9-23)28(26,27)18-7-6-15(20)12-16(18)21/h6-7,12,14,17H,2-5,8-11,13H2,1H3,(H,22,25)/t14-,17+/m1/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=CC=C(C5=CC=CC=C45)O)Cl)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC(=C(C=C8)C(=O)O)O
InChI: InChI=1S/C37H21Cl2F5N2O8/c38-36-12-20-17(7-8-19-23(20)32(50)45(31(19)49)13-5-6-18(33(51)52)22(48)11-13)24(16-9-10-21(47)15-4-2-1-3-14(15)16)37(36,39)35(54)46(34(36)53)30-28(43)26(41)25(40)27(42)29(30)44/h1-7,9-11,19-20,23-24,47-48H,8,12H2,(H,51,52)/t19-,20+,23-,24-,36+,37-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2
InChI: InChI=1S/C20H26N2O3S/c1-14-7-2-3-8-15(14)21-18(23)13-25-20(24)12-6-11-19-22-16-9-4-5-10-17(16)26-19/h4-5,9-10,14-15H,2-3,6-8,11-13H2,1H3,(H,21,23)/t14-,15+/m1/s1
SMILES: C[C@@]12CCCC[C@H]1CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CC[C@@H]4[NH2+]C[C@@H](COC5=CC=CC=C5)O)C
InChI: InChI=1S/C28H43NO2/c1-27-16-7-6-8-20(27)11-12-23-24-13-14-26(28(24,2)17-15-25(23)27)29-18-21(30)19-31-22-9-4-3-5-10-22/h3-5,9-10,20-21,23-26,29-30H,6-8,11-19H2,1-2H3/p+1/t20-,21-,23-,24+,25-,26-,27+,28+/m0/s1
SMILES: CCOC(=O)[C@H]1[C@H](CC2=NC(=C([C@H](C2C1=O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)OCC)C)C5=CC=CC=C5OC
InChI: InChI=1S/C37H39NO8/c1-6-44-36(40)31-22(3)38-27-20-26(25-15-11-12-16-28(25)42-4)33(37(41)45-7-2)35(39)34(27)32(31)24-17-18-29(30(19-24)43-5)46-21-23-13-9-8-10-14-23/h8-19,26,32-34H,6-7,20-21H2,1-5H3/t26-,32-,33+,34?/m1/s1
SMILES: C[C@H]1C(=O)O[C@@H]2[C@@]1([C@H]([C@@H]3[C@@]([C@H](CCC(=C)[C@@H]2Cl)OC(=O)C(C)C)([C@H](C[C@H]([C@]34CO4)OC(=O)CC(C)C)OC(=O)C)C)OC(=O)C)O
InChI: InChI=1S/C33H47ClO12/c1-15(2)12-24(37)44-23-13-22(42-19(7)35)31(9)21(45-29(38)16(3)4)11-10-17(5)25(34)27-33(40,18(6)30(39)46-27)28(43-20(8)36)26(31)32(23)14-41-32/h15-16,18,21-23,25-28,40H,5,10-14H2,1-4,6-9H3/t18-,21-,22-,23+,25-,26+,27-,28-,31-,32+,33-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@H](CN1C[C@@H](CO)O)C(=O)OC)O
InChI: InChI=1S/C12H22N2O6/c1-7(16)13-11-10(18)3-8(12(19)20-2)4-14(11)5-9(17)6-15/h8-11,15,17-18H,3-6H2,1-2H3,(H,13,16)/t8-,9+,10+,11+/m1/s1
SMILES: C1[C@@H]2C[C@@H]([C@@H]1C=C2)NC(=S)NNC(=O)C3=CC=NC=C3
InChI: InChI=1S/C14H16N4OS/c19-13(10-3-5-15-6-4-10)17-18-14(20)16-12-8-9-1-2-11(12)7-9/h1-6,9,11-12H,7-8H2,(H,17,19)(H2,16,18,20)/t9-,11-,12+/m1/s1
SMILES: C[C@]12C[C@H]([C@](O[C@@H]1C[C@H]3[C@](O2)(CO[C@H](O3)C4=CC=CC=C4)C)(C)CC=C)O
InChI: InChI=1S/C22H30O5/c1-5-11-20(2)16(23)13-21(3)18(26-20)12-17-22(4,27-21)14-24-19(25-17)15-9-7-6-8-10-15/h5-10,16-19,23H,1,11-14H2,2-4H3/t16-,17+,18-,19-,20+,21+,22-/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@@H]([C@@H](C=CO3)O)O
InChI: InChI=1S/C22H28O4Si/c1-22(2,3)27(17-10-6-4-7-11-17,18-12-8-5-9-13-18)26-16-20-21(24)19(23)14-15-25-20/h4-15,19-21,23-24H,16H2,1-3H3/t19-,20-,21-/m1/s1
SMILES: C1C=C[C@@H]2[C@H]1CN3C[C@H]4CC=C[C@H]4C5=C3C2=CC(=C5)C(=O)OCC(=O)C6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C27H24N2O5/c30-25(16-7-9-20(10-8-16)29(32)33)15-34-27(31)19-11-23-21-5-1-3-17(21)13-28-14-18-4-2-6-22(18)24(12-19)26(23)28/h1-2,5-12,17-18,21-22H,3-4,13-15H2/t17-,18-,21-,22-/m1/s1
SMILES: COC1=CC=CC=C1N2C[C@]34C=C[C@H](O3)[C@@H]([C@@H]4C2=O)C(=O)OC
InChI: InChI=1S/C17H17NO5/c1-21-11-6-4-3-5-10(11)18-9-17-8-7-12(23-17)13(16(20)22-2)14(17)15(18)19/h3-8,12-14H,9H2,1-2H3/t12-,13-,14+,17-/m0/s1
SMILES: CC/C(=C/C=C/[C@H]1C=C[C@H]2CCC[C@@H]2[C@@H]1C(=O)C3=CC=CN3)/[C@@H]4[C@H](CC[C@@H](O4)[C@H](C)C(=O)[O-])C
InChI: InChI=1S/C29H39NO4/c1-4-20(28-18(2)13-16-25(34-28)19(3)29(32)33)8-5-10-22-15-14-21-9-6-11-23(21)26(22)27(31)24-12-7-17-30-24/h5,7-8,10,12,14-15,17-19,21-23,25-26,28,30H,4,6,9,11,13,16H2,1-3H3,(H,32,33)/p-1/b10-5+,20-8-/t18-,19-,21+,22-,23-,25+,26+,28-/m0/s1
SMILES: CC[C@H]([C@H]1[C@@H](OC(O1)(C)C)C=O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C15H30O4Si/c1-9-11(19-20(7,8)14(2,3)4)13-12(10-16)17-15(5,6)18-13/h10-13H,9H2,1-8H3/t11-,12+,13+/m1/s1
SMILES: CCOC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)N2C3=CC=C(C=C3)OC)CCCC4=CC=CC=C4
InChI: InChI=1S/C27H29NO3/c1-3-31-24-16-12-21(13-17-24)26-25(11-7-10-20-8-5-4-6-9-20)27(29)28(26)22-14-18-23(30-2)19-15-22/h4-6,8-9,12-19,25-26H,3,7,10-11H2,1-2H3/t25-,26+/m0/s1
SMILES: C1=NC2=C(C(=N1)N3C=NN=C3)N=CN2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI: InChI=1S/C12H13N7O4/c20-1-6-8(21)9(22)12(23-6)19-3-15-7-10(13-2-14-11(7)19)18-4-16-17-5-18/h2-6,8-9,12,20-22H,1H2/t6-,8-,9-,12-/m1/s1
SMILES: CC(C)NCC1=CC=C(C=C1)C2=C3C[C@@H]4C[C@@H]5[C@H](C(=O)C(C(=O)[C@@]5(C(=O)C4C(=O)C3=C(C=C2)O)O)C(=O)N)N(C)C
InChI: InChI=1S/C31H35N3O7/c1-14(2)33-13-15-5-7-16(8-6-15)18-9-10-21(35)23-19(18)11-17-12-20-25(34(3)4)27(37)24(30(32)40)29(39)31(20,41)28(38)22(17)26(23)36/h5-10,14,17,20,22,24-25,33,35,41H,11-13H2,1-4H3,(H2,32,40)/t17-,20-,22?,24?,25-,31-/m1/s1
SMILES: CCOC1=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(=C(C=C6)F)Cl)C)C(=O)N(C4=O)C7CCCCC7)O
InChI: InChI=1S/C35H36ClFN2O6/c1-3-45-28-15-18(9-14-27(28)40)30-21-11-12-22-29(33(43)38(31(22)41)19-7-5-4-6-8-19)23(21)17-24-32(42)39(34(44)35(24,30)2)20-10-13-26(37)25(36)16-20/h9-11,13-16,19,22-24,29-30,40H,3-8,12,17H2,1-2H3/t22-,23+,24-,29-,30-,35+/m0/s1
SMILES: CC(=O)N1C[C@@H]([C@H]([C@@H](N1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C28H32N2O4/c1-22(31)30-17-27(33-19-24-13-7-3-8-14-24)28(34-20-25-15-9-4-10-16-25)26(29-30)21-32-18-23-11-5-2-6-12-23/h2-16,26-29H,17-21H2,1H3/t26-,27-,28-/m0/s1
SMILES: C1CC[C@@H]2[C@H](C1)CCCN2C(=O)COC(=O)C3=CSC(=N3)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C21H23ClN2O3S/c22-16-8-3-6-15(11-16)20-23-17(13-28-20)21(26)27-12-19(25)24-10-4-7-14-5-1-2-9-18(14)24/h3,6,8,11,13-14,18H,1-2,4-5,7,9-10,12H2/t14-,18-/m1/s1
SMILES: C[C@H]1CCN([C@H]([C@@]1(C2=CC=CC=N2)O)C)C(=O)[C@@H]3CN(C[C@H]3C4=C(C=C(C=C4)F)F)C5=NN=CC=C5.Cl
InChI: InChI=1S/C27H29F2N5O2.ClH/c1-17-10-13-34(18(2)27(17,36)24-6-3-4-11-30-24)26(35)22-16-33(25-7-5-12-31-32-25)15-21(22)20-9-8-19(28)14-23(20)29;/h3-9,11-12,14,17-18,21-22,36H,10,13,15-16H2,1-2H3;1H/t17-,18-,21-,22+,27-;/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)CCCCCNC(=O)C)CN(CC=C)C5CCCC5
InChI: InChI=1S/C42H55N3O5/c1-4-24-45(38-16-7-8-17-38)28-39-30(2)41(34-21-19-32(29-46)20-22-34)50-42(49-39)37-15-11-14-36(26-37)35-13-10-12-33(25-35)27-44-40(48)18-6-5-9-23-43-31(3)47/h4,10-15,19-22,25-26,30,38-39,41-42,46H,1,5-9,16-18,23-24,27-29H2,2-3H3,(H,43,47)(H,44,48)/t30-,39+,41+,42+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)CC(=O)N(CC(=O)O)[C@H]2C[C@@H]2NC(=O)OC(C)(C)C
InChI: InChI=1S/C17H24N4O7/c1-9-6-20(15(26)19-14(9)25)7-12(22)21(8-13(23)24)11-5-10(11)18-16(27)28-17(2,3)4/h6,10-11H,5,7-8H2,1-4H3,(H,18,27)(H,23,24)(H,19,25,26)/t10-,11-/m0/s1
SMILES: CC1=C([C@H]2[C@H]3CN(C[C@H]3[C@@H]1C4=CC=CC=C24)CCCO)C
InChI: InChI=1S/C19H25NO/c1-12-13(2)19-15-7-4-3-6-14(15)18(12)16-10-20(8-5-9-21)11-17(16)19/h3-4,6-7,16-19,21H,5,8-11H2,1-2H3/t16-,17+,18+,19-
SMILES: C1=CC=C(C=C1)COC2=CC=CC=C2C(=O)[C@H]3[C@H](O3)C4=CC=CC=C4
InChI: InChI=1S/C22H18O3/c23-20(22-21(25-22)17-11-5-2-6-12-17)18-13-7-8-14-19(18)24-15-16-9-3-1-4-10-16/h1-14,21-22H,15H2/t21-,22+/m1/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=CC(=C(C=C5)O)F)C(=O)N(C4=O)CC6=CC=CC=C6)Cl
InChI: InChI=1S/C28H23Cl2FN2O5/c1-32-25(37)27(29)12-18-16(22(28(27,30)26(32)38)15-7-10-20(34)19(31)11-15)8-9-17-21(18)24(36)33(23(17)35)13-14-5-3-2-4-6-14/h2-8,10-11,17-18,21-22,34H,9,12-13H2,1H3/t17-,18+,21-,22-,27+,28-/m0/s1
SMILES: CC(=O)N1[C@H]2C[C@@H](C1=O)[C@@H]([C@H]([C@@H]([C@@H]2O[Si](C)(C)C(C)(C)C)O)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C22H43NO6Si2/c1-13(24)23-15-12-14(20(23)27)18(28-30(8,9)21(2,3)4)16(25)17(26)19(15)29-31(10,11)22(5,6)7/h14-19,25-26H,12H2,1-11H3/t14-,15+,16+,17+,18+,19-/m1/s1
SMILES: C1[C@@H]2[C@H]3[C@@H]([C@H]1[C@@H]4[C@H]2C(=NO4)C5=CC=C(C=C5)OCC#N)C(=O)N(C3=O)C6=CC=CC=C6
InChI: InChI=1S/C24H19N3O4/c25-10-11-30-15-8-6-13(7-9-15)21-20-16-12-17(22(20)31-26-21)19-18(16)23(28)27(24(19)29)14-4-2-1-3-5-14/h1-9,16-20,22H,11-12H2/t16-,17+,18+,19-,20-,22-/m1/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOC3CCCCO3)C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)OC6=CC7=CC=CC=C7C=C6)CCCCO)CCCCO)N(CC8=CC=CC9=CC=CC=C98)C(=O)C1=CC=C(C=C1)C#N
InChI: InChI=1S/C61H63N3O8/c1-2-33-69-61-56(64(60(67)44-25-23-41(39-62)24-26-44)40-47-19-13-18-43-15-5-6-20-50(43)47)38-54(63-72-57-22-9-12-34-68-57)52-36-46(17-7-10-31-65)51(21-8-11-32-66)58(59(52)61)53-37-49(29-30-55(53)71-61)70-48-28-27-42-14-3-4-16-45(42)35-48/h2-6,13-16,18-20,23-30,35-37,46,51,56-59,65-66H,1,7-12,17,21-22,31-34,38,40H2/t46-,51+,56-,57?,58+,59+,61+/m0/s1
SMILES: C[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)OC)N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O
InChI: InChI=1S/C21H24N2O6/c1-11(23-19(25)17-12-3-4-13(9-12)18(17)20(23)26)21(27)29-10-16(24)22-14-5-7-15(28-2)8-6-14/h5-8,11-13,17-18H,3-4,9-10H2,1-2H3,(H,22,24)/t11-,12-,13+,17-,18+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C3[C@@](O2)(CN3C(=O)C(F)(F)F)CO)O
InChI: InChI=1S/C13H14F3N3O6/c1-5-2-18(11(24)17-8(5)22)9-6(21)7-12(4-20,25-9)3-19(7)10(23)13(14,15)16/h2,6-7,9,20-21H,3-4H2,1H3,(H,17,22,24)/t6-,7?,9-,12-/m1/s1
SMILES: CCCCOC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H]4CC[C@H]([C@@H]3C2=O)C=C4
InChI: InChI=1S/C20H23NO3/c1-2-3-12-24-16-10-8-15(9-11-16)21-19(22)17-13-4-5-14(7-6-13)18(17)20(21)23/h4-5,8-11,13-14,17-18H,2-3,6-7,12H2,1H3/t13-,14+,17-,18-/m0/s1
SMILES: CC(C)(C)COC(=O)N(C)[C@H]1CC(=NOCC2=CC=CC=C2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC6=CC(=C(C=C6)OC)C=O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C49H62N2O10/c1-7-25-58-49-44(51(5)47(55)57-32-48(2,3)4)29-41(50-59-31-33-15-9-8-10-16-33)39-27-34(17-11-13-23-52)38(18-12-14-24-53)45(46(39)49)40-28-37(20-22-43(40)61-49)60-36-19-21-42(56-6)35(26-36)30-54/h7-10,15-16,19-22,26-28,30,34,38,44-46,52-53H,1,11-14,17-18,23-25,29,31-32H2,2-6H3/t34-,38+,44-,45+,46+,49+/m0/s1
SMILES: C1C=C2[C@H](CN1C(=O)OCC3=CC=CC=C3)[C@@H](C(=C(C2(C#N)C#N)N)C#N)C4=CC(=CC=C4)F
InChI: InChI=1S/C26H20FN5O2/c27-19-8-4-7-18(11-19)23-20(12-28)24(31)26(15-29,16-30)22-9-10-32(13-21(22)23)25(33)34-14-17-5-2-1-3-6-17/h1-9,11,21,23H,10,13-14,31H2/t21-,23+/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C(=CC=C5)F)O)C(=O)N(C4=O)C6=CC(=C(C=C6)C(=O)O)O)C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C34H27FN2O8/c1-34-23(30(41)37(33(34)45)16-6-3-2-4-7-16)15-22-18(27(34)21-8-5-9-24(35)28(21)39)12-13-20-26(22)31(42)36(29(20)40)17-10-11-19(32(43)44)25(38)14-17/h2-12,14,20,22-23,26-27,38-39H,13,15H2,1H3,(H,43,44)/t20-,22+,23-,26-,27+,34+/m0/s1
SMILES: CN1CC[C@H]2CCCC([C@@H]2C1)NC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI: InChI=1S/C17H22Cl2N2O/c1-21-8-7-11-3-2-4-16(13(11)10-21)20-17(22)12-5-6-14(18)15(19)9-12/h5-6,9,11,13,16H,2-4,7-8,10H2,1H3,(H,20,22)/t11-,13-,16?/m1/s1
SMILES: C[C@@H]1[C@@]([C@H](OC(O1)(C)C)COCC2=CC=CC=C2)(C)CCCO
InChI: InChI=1S/C19H30O4/c1-15-19(4,11-8-12-20)17(23-18(2,3)22-15)14-21-13-16-9-6-5-7-10-16/h5-7,9-10,15,17,20H,8,11-14H2,1-4H3/t15-,17-,19-/m1/s1
SMILES: CCOC(=O)[C@@H]1C[C@]2(C3=C(C(=CC(=C3)Br)C)NC2=O)[NH+]4[C@@H]1CCC4
InChI: InChI=1S/C18H21BrN2O3/c1-3-24-16(22)12-9-18(21-6-4-5-14(12)21)13-8-11(19)7-10(2)15(13)20-17(18)23/h7-8,12,14H,3-6,9H2,1-2H3,(H,20,23)/p+1/t12-,14-,18-/m1/s1
SMILES: CC1=C(C=C(C=C1)NC(=O)[C@@H]2[C@@H]3[C@@H]([C@@H]4[C@@H](O2)OC(O4)(C)C)OC(O3)(C)C)Cl
InChI: InChI=1S/C19H24ClNO6/c1-9-6-7-10(8-11(9)20)21-16(22)14-12-13(25-18(2,3)24-12)15-17(23-14)27-19(4,5)26-15/h6-8,12-15,17H,1-5H3,(H,21,22)/t12-,13-,14-,15+,17-/m0/s1
SMILES: C1=CC=C2C(=C1)C=CC=C2N3C(=O)[C@H]4[C@H]5C=CC6=CC=CC=C6N5[C@@H]([C@@H]4C3=O)C(=O)NC7=CC=C(C=C7)Cl
InChI: InChI=1S/C31H22ClN3O3/c32-20-13-15-21(16-14-20)33-29(36)28-27-26(25-17-12-19-7-2-4-10-23(19)34(25)28)30(37)35(31(27)38)24-11-5-8-18-6-1-3-9-22(18)24/h1-17,25-28H,(H,33,36)/t25-,26+,27-,28+/m1/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)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)O)N
InChI: InChI=1S/C17H28N4O15P2/c1-6-10(18)13(25)11(19-7(2)22)16(33-6)35-38(30,31)36-37(28,29)32-5-8-12(24)14(26)15(34-8)21-4-3-9(23)20-17(21)27/h3-4,6,8,10-16,24-26H,5,18H2,1-2H3,(H,19,22)(H,28,29)(H,30,31)(H,20,23,27)/t6-,8-,10-,11-,12-,13+,14-,15-,16+/m1/s1
SMILES: CC(C)(CCCCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=O)CCCCC(C)(C)CO)CC2=CC=CC=C2)O)O)CC3=CC=CC=C3)CO
InChI: InChI=1S/C35H54N2O5/c1-34(2,25-38)19-11-13-21-36-29(23-27-15-7-5-8-16-27)31(40)32(41)30(24-28-17-9-6-10-18-28)37(33(36)42)22-14-12-20-35(3,4)26-39/h5-10,15-18,29-32,38-41H,11-14,19-26H2,1-4H3/t29-,30-,31+,32+/m1/s1
SMILES: CCCCCCC(C)(C)C1=CC2=C([C@H]3CC(=CC[C@@H]3C(O2)(C)C)CO)C(=C1)OC(=O)CCCN4CCOCC4.Br
InChI: InChI=1S/C33H51NO5.BrH/c1-6-7-8-9-14-32(2,3)25-21-28(38-30(36)11-10-15-34-16-18-37-19-17-34)31-26-20-24(23-35)12-13-27(26)33(4,5)39-29(31)22-25;/h12,21-22,26-27,35H,6-11,13-20,23H2,1-5H3;1H/t26-,27-;/m0./s1
SMILES: C#C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CNC(=O)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C18H20N2O3/c1-2-12-10-20-6-5-13(12)7-15(20)9-19-18(21)14-3-4-16-17(8-14)23-11-22-16/h1,3-4,8,12-13,15H,5-7,9-11H2,(H,19,21)/p+1/t12-,13-,15+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](N1C(=O)OCC2=CC=CC=C2)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C23H29NO11/c1-13(25)31-12-18-19(33-14(2)26)20(34-15(3)27)21(35-16(4)28)22(30-5)24(18)23(29)32-11-17-9-7-6-8-10-17/h6-10,18-22H,11-12H2,1-5H3/t18-,19-,20+,21-,22-/m1/s1
SMILES: C1CC[C@@]23CCN([C@H]([C@@H]2C1)CC4=C3C=C(C=C4)O)CCCCC(=O)C5=CC=CC=C5
InChI: InChI=1S/C27H33NO2/c29-22-13-12-21-18-25-23-10-4-6-14-27(23,24(21)19-22)15-17-28(25)16-7-5-11-26(30)20-8-2-1-3-9-20/h1-3,8-9,12-13,19,23,25,29H,4-7,10-11,14-18H2/t23-,25-,27+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]3[C@H]2C[C@@]4([C@H](C3)O4)C
InChI: InChI=1S/C14H17NO3S/c1-9-3-5-10(6-4-9)19(16,17)15-11-7-13-14(2,18-13)8-12(11)15/h3-6,11-13H,7-8H2,1-2H3/t11-,12+,13-,14+,15?/m0/s1
SMILES: CN([C@H]1CC(=NOCC2=CC=CC=C2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OCCN6CC6)OCC=C)CCCCO)CCCCO)S(=O)(=O)C7=CC=CC8=C7N=CC=C8
InChI: InChI=1S/C48H58N4O8S/c1-3-28-58-48-44(51(2)61(55,56)43-19-11-16-35-17-12-22-49-47(35)43)32-41(50-59-33-34-13-5-4-6-14-34)39-30-36(15-7-9-26-53)38(18-8-10-27-54)45(46(39)48)40-31-37(20-21-42(40)60-48)57-29-25-52-23-24-52/h3-6,11-14,16-17,19-22,30-31,36,38,44-46,53-54H,1,7-10,15,18,23-29,32-33H2,2H3/t36-,38+,44-,45+,46+,48+/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)CC5=C([C@H]4C6=CC=CC=C6O)C(=O)C=C(C5=O)Br
InChI: InChI=1S/C30H22BrNO6/c1-14(33)15-6-8-16(9-7-15)32-29(37)19-11-10-17-20(26(19)30(32)38)12-21-27(24(35)13-22(31)28(21)36)25(17)18-4-2-3-5-23(18)34/h2-10,13,19-20,25-26,34H,11-12H2,1H3/t19-,20+,25+,26-/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H](CC(O1)O)OCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C20H22O5/c1-14-19(25-20(22)16-10-6-3-7-11-16)17(12-18(21)24-14)23-13-15-8-4-2-5-9-15/h2-11,14,17-19,21H,12-13H2,1H3/t14-,17-,18?,19-/m1/s1
SMILES: CCCCCN(C)C(=O)C1=COC(=N1)[C@@H]2[C@H]3CC[C@@H]([C@@H]2CC4=CC=CC=C4CCC(=O)O)O3
InChI: InChI=1S/C26H34N2O5/c1-3-4-7-14-28(2)26(31)20-16-32-25(27-20)24-19(21-11-12-22(24)33-21)15-18-9-6-5-8-17(18)10-13-23(29)30/h5-6,8-9,16,19,21-22,24H,3-4,7,10-15H2,1-2H3,(H,29,30)/t19-,21-,22+,24-/m0/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)NCC6=CC=C(C=C6)N)O
InChI: InChI=1S/C34H36N2O10/c1-15-29(38)21(36-14-17-7-9-18(35)10-8-17)11-24(45-15)46-23-13-34(43,16(2)37)12-20-26(23)33(42)28-27(31(20)40)30(39)19-5-4-6-22(44-3)25(19)32(28)41/h4-10,15,21,23-24,29,36,38,40,42-43H,11-14,35H2,1-3H3/t15-,21-,23-,24-,29+,34-/m0/s1
SMILES: C1[C@@H]2[C@H]1[C@@H](N(C2)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)O
InChI: InChI=1S/C12H12FNO4S/c13-8-1-3-9(4-2-8)19(17,18)14-6-7-5-10(7)11(14)12(15)16/h1-4,7,10-11H,5-6H2,(H,15,16)/t7-,10-,11+/m0/s1
SMILES: C/C=C\1/CN[C@H]2C[C@@H]1C([C@@]34[C@@]2(NC5=CC=CC=C53)OCC4)(CO)C(=O)OC
InChI: InChI=1S/C21H26N2O4/c1-3-13-11-22-17-10-15(13)19(12-24,18(25)26-2)20-8-9-27-21(17,20)23-16-7-5-4-6-14(16)20/h3-7,15,17,22-24H,8-12H2,1-2H3/b13-3-/t15-,17-,19?,20-,21-/m0/s1
SMILES: C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)(C)C(=O)O
InChI: InChI=1S/C36H56O9/c1-31(2)23-8-11-36(7)28(34(23,5)10-9-24(31)45-29-27(41)26(40)25(39)22(18-37)44-29)21(38)16-19-20-17-33(4,30(42)43)13-12-32(20,3)14-15-35(19,36)6/h16,20,22-29,37,39-41H,8-15,17-18H2,1-7H3,(H,42,43)/t20-,22+,23-,24-,25+,26-,27+,28+,29-,32+,33-,34-,35+,36+/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8
InChI: InChI=1S/C52H43NO14/c54-46(55)41(53-52(60)63-29-40-38-27-15-13-25-36(38)37-26-14-16-28-39(37)40)30-62-51-45(67-50(59)35-23-11-4-12-24-35)44(66-49(58)34-21-9-3-10-22-34)43(65-48(57)33-19-7-2-8-20-33)42(64-51)31-61-47(56)32-17-5-1-6-18-32/h1-28,40-45,51H,29-31H2,(H,53,60)(H,54,55)/t41-,42+,43+,44-,45+,51+/m0/s1
SMILES: CCOC(=O)N(C)CC[C@@]12C=C[C@@H](C[C@@H]1OC3=C(C=CC(=C23)C=O)OC)O
InChI: InChI=1S/C20H25NO6/c1-4-26-19(24)21(2)10-9-20-8-7-14(23)11-16(20)27-18-15(25-3)6-5-13(12-22)17(18)20/h5-8,12,14,16,23H,4,9-11H2,1-3H3/t14-,16-,20-/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)N(C)CC(=O)NC(C)(C)C
InChI: InChI=1S/C18H35N3O2/c1-12-9-8-10-15(13(12)2)19-17(23)14(3)21(7)11-16(22)20-18(4,5)6/h12-15H,8-11H2,1-7H3,(H,19,23)(H,20,22)/t12-,13+,14+,15-/m0/s1
SMILES: CC1=NC(=CS1)CC(=O)C2=C(C=C(C=C2)OC[C@@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)O)O
InChI: InChI=1S/C19H23NO8S/c1-9-20-10(8-29-9)4-13(22)12-3-2-11(5-14(12)23)27-7-16-18(25)19(26)17(24)15(6-21)28-16/h2-3,5,8,15-19,21,23-26H,4,6-7H2,1H3/t15-,16+,17+,18+,19+/m0/s1
SMILES: CC1(O[C@@H]2[C@H]3C[C@@H]4[C@@H]([C@@]2(O1)[C@H](C(=O)O4)CC=C)[C@H]([C@@H]3COCOCC[Si](C)(C)C)COCC5=CC=CC=C5)C
InChI: InChI=1S/C31H46O7Si/c1-7-11-25-29(32)36-26-16-22-23(18-35-20-33-14-15-39(4,5)6)24(19-34-17-21-12-9-8-10-13-21)27(26)31(25)28(22)37-30(2,3)38-31/h7-10,12-13,22-28H,1,11,14-20H2,2-6H3/t22-,23+,24-,25-,26+,27-,28+,31-/m0/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)OCCNCCCN)O)N
InChI: InChI=1S/C17H38N6O6/c18-2-1-3-23-4-5-27-16-12(24)8(20)6-9(21)15(16)29-17-11(22)14(26)13(25)10(7-19)28-17/h8-17,23-26H,1-7,18-22H2/t8-,9+,10-,11-,12+,13-,14-,15-,16-,17-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)N2C(=O)/C(=C/C3=CC=CC=N3)/N=C2S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C37H43N3O19S/c1-16(41)50-14-26-28(52-18(3)43)30(54-20(5)45)32(56-22(7)47)35(58-26)40-34(49)25(13-24-11-9-10-12-38-24)39-37(40)60-36-33(57-23(8)48)31(55-21(6)46)29(53-19(4)44)27(59-36)15-51-17(2)42/h9-13,26-33,35-36H,14-15H2,1-8H3/b25-13-/t26-,27-,28+,29+,30+,31+,32-,33-,35-,36+/m1/s1
SMILES: CC12CC[C@H]([C@@]3(C1[C@@H]([C@]45C3CC[C@](C4)(C(=C)C5)O[Si](C)(C)C)C(=O)OC)OC2=O)O[Si](C)(C)C
InChI: InChI=1S/C26H42O6Si2/c1-16-14-24-15-25(16,32-34(7,8)9)13-10-17(24)26-18(31-33(4,5)6)11-12-23(2,22(28)30-26)20(26)19(24)21(27)29-3/h17-20H,1,10-15H2,2-9H3/t17?,18-,19-,20?,23?,24+,25+,26+/m1/s1
SMILES: C[C@@]1(CC[C@H]2[C@H](C1CC#N)CCC3=C2C=CC(=C3)OCC4=CC=CC=C4)C=O
InChI: InChI=1S/C25H27NO2/c1-25(17-27)13-11-22-21-10-8-20(28-16-18-5-3-2-4-6-18)15-19(21)7-9-23(22)24(25)12-14-26/h2-6,8,10,15,17,22-24H,7,9,11-13,16H2,1H3/t22-,23-,24?,25-/m1/s1
SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)C2=CC=CC=C2N3C(=O)[C@@H]4CC[C@@H](C[C@@H]4C3=O)C
InChI: InChI=1S/C26H30N2O3/c1-4-17-9-8-10-18(5-2)23(17)27-24(29)20-11-6-7-12-22(20)28-25(30)19-14-13-16(3)15-21(19)26(28)31/h6-12,16,19,21H,4-5,13-15H2,1-3H3,(H,27,29)/t16-,19+,21-/m0/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=C5C(=NC=N4)N(C=N5)[C@H]6[C@@H](C[C@H](O6)COC(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=C(C=C9)OC)O
InChI: InChI=1S/C50H45N5O5/c1-57-41-27-23-37(24-28-41)49(35-15-7-3-8-16-35,36-17-9-4-10-18-36)54-46-45-47(52-33-51-46)55(34-53-45)48-44(56)31-43(60-48)32-59-50(38-19-11-5-12-20-38,39-21-13-6-14-22-39)40-25-29-42(58-2)30-26-40/h3-30,33-34,43-44,48,56H,31-32H2,1-2H3,(H,51,52,54)/t43-,44+,48+/m0/s1
SMILES: CCCCCCCCCCCCCC(=O)CC(=O)O[C@H]1CC[C@@]2(C3CCC4C5[C@@H](CC[C@@]5(CC[C@]4([C@@]3(CCC2C1(C)C)C)C)C)C(=O)C)C
InChI: InChI=1S/C45H76O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-33(47)31-39(48)49-38-25-27-43(6)36(41(38,3)4)24-28-45(8)37(43)22-21-35-40-34(32(2)46)23-26-42(40,5)29-30-44(35,45)7/h34-38,40H,9-31H2,1-8H3/t34-,35?,36?,37?,38-,40?,42+,43-,44+,45+/m0/s1
SMILES: COC1=CC=CC2=C1OC(=C2)C(=O)N(CC(F)(F)F)[C@@H]3C=C([C@H]4[C@@H]([C@H]3O)OC5=C4C=C(C=C5OC)CO)C(=O)NCCO
InChI: InChI=1S/C29H29F3N2O9/c1-40-19-5-3-4-15-10-21(42-24(15)19)28(39)34(13-29(30,31)32)18-11-17(27(38)33-6-7-35)22-16-8-14(12-36)9-20(41-2)25(16)43-26(22)23(18)37/h3-5,8-11,18,22-23,26,35-37H,6-7,12-13H2,1-2H3,(H,33,38)/t18-,22+,23+,26+/m1/s1
SMILES: CO[C@H]1[C@H](C2=C(C=CC=C2O)C3=C4CCC(=O)C5=C(C=CC(=C45)C13)O)O
InChI: InChI=1S/C21H18O5/c1-26-21-18-11-6-8-14(24)19-13(23)7-5-10(16(11)19)15(18)9-3-2-4-12(22)17(9)20(21)25/h2-4,6,8,18,20-22,24-25H,5,7H2,1H3/t18?,20-,21+/m0/s1
SMILES: C[C@@H](CCCC(C)C)[C@H]1CC[C@H]2[C@@]1(CC[C@@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCN5CCCCC5)C)C
InChI: InChI=1S/C35H59NO2/c1-25(2)10-9-11-26(3)30-14-15-31-29-13-12-27-24-28(38-33(37)18-23-36-21-7-6-8-22-36)16-19-34(27,4)32(29)17-20-35(30,31)5/h12,25-26,28-32H,6-11,13-24H2,1-5H3/t26-,28-,29-,30+,31+,32+,34-,35+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C=C)C[C@H]([C@@]45[C@@]3(CC[C@@H]4C5)C)OC
InChI: InChI=1S/C22H34O/c1-5-14-6-7-17-16-12-19(23-4)22-13-15(22)8-11-21(22,3)18(16)9-10-20(14,17)2/h5,14-19H,1,6-13H2,2-4H3/t14-,15+,16-,17-,18-,19+,20+,21+,22-/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)OCC(=O)NCCC3=CC=C(C=C3)Cl
InChI: InChI=1S/C20H23ClN2O5/c21-14-7-5-13(6-8-14)9-10-22-17(24)12-28-18(25)11-23-19(26)15-3-1-2-4-16(15)20(23)27/h5-8,15-16H,1-4,9-12H2,(H,22,24)/t15-,16+
SMILES: C[C@@H]1C[C@H]2CC(=O)[C@H]3[C@@]2(C[C@H]4[C@@H]3CCN(C4)C)[C@H](C1)O
InChI: InChI=1S/C17H27NO2/c1-10-5-12-7-14(19)16-13-3-4-18(2)9-11(13)8-17(12,16)15(20)6-10/h10-13,15-16,20H,3-9H2,1-2H3/t10-,11-,12+,13+,15+,16+,17-/m1/s1
SMILES: CC1([C@H]2CC[C@@H]([C@@H]1C2)C[N+]3=CC4=CC=CC=C4CC3)C
InChI: InChI=1S/C19H26N/c1-19(2)17-8-7-16(18(19)11-17)13-20-10-9-14-5-3-4-6-15(14)12-20/h3-6,12,16-18H,7-11,13H2,1-2H3/q+1/t16-,17+,18+/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC(=O)N4CC5=C(C4)C=C(C=C5)N6CCOCC6)C(=O)NS(=O)(=O)C7CC7
InChI: InChI=1S/C39H54N6O10S/c1-38(2,3)55-36(49)40-31-10-8-6-4-5-7-9-27-21-39(27,35(48)42-56(51,52)30-13-14-30)41-33(46)32-20-29(24-45(32)34(31)47)54-37(50)44-22-25-11-12-28(19-26(25)23-44)43-15-17-53-18-16-43/h7,9,11-12,19,27,29-32H,4-6,8,10,13-18,20-24H2,1-3H3,(H,40,49)(H,41,46)(H,42,48)/b9-7-/t27-,29-,31+,32+,39-/m1/s1
SMILES: C[C@H](C(=O)[O-])N1C(=O)[C@H]2CC=C(C[C@@H]2C1=O)Cl
InChI: InChI=1S/C11H12ClNO4/c1-5(11(16)17)13-9(14)7-3-2-6(12)4-8(7)10(13)15/h2,5,7-8H,3-4H2,1H3,(H,16,17)/p-1/t5-,7+,8+/m1/s1