EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C=CCCOC(=O)N(CC1=CC=CC2=CC=CC=C21)[C@H]3CC(=NOCC4=CC=CC=C4)C5=C[C@@H]([C@H]([C@H]6[C@@H]5[C@@]3(OC7=C6C=C(C=C7)OC8=CC=CC(=C8)[N+](=O)[O-])OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C56H61N3O10/c1-3-5-32-65-55(62)58(37-42-22-15-21-40-19-9-10-25-46(40)42)52-36-50(57-67-38-39-17-7-6-8-18-39)48-33-41(20-11-13-29-60)47(26-12-14-30-61)53-49-35-45(68-44-24-16-23-43(34-44)59(63)64)27-28-51(49)69-56(52,54(48)53)66-31-4-2/h3-4,6-10,15-19,21-25,27-28,33-35,41,47,52-54,60-61H,1-2,5,11-14,20,26,29-32,36-38H2/t41-,47+,52-,53+,54+,56+/m0/s1
SMILES: CC(=O)OCC(=O)[C@H]1CCC2[C@@]1(C[C@@H](C3C2CCC4=CC(=O)CC[C@]34C)O)C
InChI: InChI=1S/C23H32O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h10,16-19,21,26H,4-9,11-12H2,1-3H3/t16?,17?,18-,19+,21?,22+,23+/m1/s1
SMILES: C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4C[C@H]6[C@@]7([C@@]5(CC[C@@H](C7)O)C)O6)C)C)OC1
InChI: InChI=1S/C27H42O4/c1-15-5-10-27(29-14-15)16(2)23-21(30-27)12-20-18-11-22-26(31-22)13-17(28)6-9-25(26,4)19(18)7-8-24(20,23)3/h15-23,28H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21+,22+,23+,24+,25-,26+,27-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C=C(C4=CC(=O)C=C[C@]34C)CCCCCC5=CC=CC=C5
InChI: InChI=1S/C30H36O2/c1-29-17-15-23(31)20-27(29)22(12-8-4-7-11-21-9-5-3-6-10-21)19-24-25-13-14-28(32)30(25,2)18-16-26(24)29/h3,5-6,9-10,15,17,19-20,24-26H,4,7-8,11-14,16,18H2,1-2H3/t24-,25-,26-,29+,30-/m0/s1
SMILES: C1C=CC[C@@H]([C@@H]1C(=O)NC2=CC=C(C=C2)C(=O)NC3=NC=CS3)C(=O)[O-]
InChI: InChI=1S/C18H17N3O4S/c22-15(21-18-19-9-10-26-18)11-5-7-12(8-6-11)20-16(23)13-3-1-2-4-14(13)17(24)25/h1-2,5-10,13-14H,3-4H2,(H,20,23)(H,24,25)(H,19,21,22)/p-1/t13-,14+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)C4O[C@@H]([C@H]([C@@H](O4)C5=CC=C(C=C5)CO)C6=CC=CC=C6)CN(C)CCC7=CC=CC=N7
InChI: InChI=1S/C49H52N4O6S/c1-35-16-26-43(27-17-35)60(56,57)52-44(31-36-11-5-3-6-12-36)48(55)51-32-37-18-24-41(25-19-37)49-58-45(33-53(2)30-28-42-15-9-10-29-50-42)46(39-13-7-4-8-14-39)47(59-49)40-22-20-38(34-54)21-23-40/h3-27,29,44-47,49,52,54H,28,30-34H2,1-2H3,(H,51,55)/t44-,45-,46-,47+,49?/m1/s1
SMILES: C1=CC=C2C(=C1)C3([C@@H]4[C@@H](C2(C5=CC=CC=C53)Br)C(=O)N(C4=O)C6=CC(=C(C=C6)Cl)C(=O)[O-])Br
InChI: InChI=1S/C25H14Br2ClNO4/c26-24-14-5-1-2-6-15(14)25(27,17-8-4-3-7-16(17)24)20-19(24)21(30)29(22(20)31)12-9-10-18(28)13(11-12)23(32)33/h1-11,19-20H,(H,32,33)/p-1/t19-,20-,24?,25?/m1/s1
SMILES: COC1=C(C(=CC(=C1)C=O)I)O[C@H]2C=C(C[C@H]([C@@H]2O)N(CC3=CC(=C(C=C3)Cl)Cl)C(=O)CCC=C)C(=O)NCCO
InChI: InChI=1S/C29H31Cl2IN2O7/c1-3-4-5-26(37)34(15-17-6-7-20(30)21(31)10-17)23-13-19(29(39)33-8-9-35)14-24(27(23)38)41-28-22(32)11-18(16-36)12-25(28)40-2/h3,6-7,10-12,14,16,23-24,27,35,38H,1,4-5,8-9,13,15H2,2H3,(H,33,39)/t23-,24+,27+/m1/s1
SMILES: CCCCC(=O)O[C@H]1C[C@@H]2[C@](CC[C@H]3[C@]2(COC4(O3)CCCCC4)C)([C@@H]5[C@@]1(OC6=C([C@@H]5O)C(=O)OC(=C6)C7=CN=CC=C7)C)C
InChI: InChI=1S/C36H47NO8/c1-5-6-12-28(38)43-27-19-25-33(2,16-13-26-34(25,3)21-41-36(45-26)14-8-7-9-15-36)31-30(39)29-24(44-35(27,31)4)18-23(42-32(29)40)22-11-10-17-37-20-22/h10-11,17-18,20,25-27,30-31,39H,5-9,12-16,19,21H2,1-4H3/t25-,26+,27+,30+,31-,33+,34+,35-/m1/s1
SMILES: CC1(CC2=NC3=CC=CC=C3N([C@@H]([C@H]2C(=O)C1)C4=CC=C(C=C4)N(C)C)C(=O)NC5=CC(=C(C=C5)Cl)Cl)C
InChI: InChI=1S/C30H30Cl2N4O2/c1-30(2)16-24-27(26(37)17-30)28(18-9-12-20(13-10-18)35(3)4)36(25-8-6-5-7-23(25)34-24)29(38)33-19-11-14-21(31)22(32)15-19/h5-15,27-28H,16-17H2,1-4H3,(H,33,38)/t27-,28-/m1/s1
SMILES: CCCCCCCCCCCC(=O)NCC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1[C@H](CO)O)NC2=NC=NC3=C2NC=N3)O)O
InChI: InChI=1S/C26H43N7O7/c1-2-3-4-5-6-7-8-9-10-11-17(36)27-12-18(37)32-19-21(38)22(39)26(40-23(19)16(35)13-34)33-25-20-24(29-14-28-20)30-15-31-25/h14-16,19,21-23,26,34-35,38-39H,2-13H2,1H3,(H,27,36)(H,32,37)(H2,28,29,30,31,33)/t16-,19+,21+,22+,23-,26-/m0/s1
SMILES: CC1(O[C@@H]([C@H](O1)[C@@H](CC2=CC=C(C=C2)OC)O)COCC3=CC=CC=C3)C
InChI: InChI=1S/C22H28O5/c1-22(2)26-20(15-25-14-17-7-5-4-6-8-17)21(27-22)19(23)13-16-9-11-18(24-3)12-10-16/h4-12,19-21,23H,13-15H2,1-3H3/t19-,20-,21-/m1/s1
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)O)C)C(=O)NCCCCCCCC(=O)NC(CC(=O)O)C6=CC=CC=C6
InChI: InChI=1S/C47H72N2O5/c1-31(2)33-21-26-47(42(54)48-29-15-10-8-9-14-18-39(51)49-35(30-40(52)53)32-16-12-11-13-17-32)28-27-45(6)34(41(33)47)19-20-37-44(5)24-23-38(50)43(3,4)36(44)22-25-46(37,45)7/h11-13,16-17,33-38,41,50H,1,8-10,14-15,18-30H2,2-7H3,(H,48,54)(H,49,51)(H,52,53)/t33-,34+,35?,36-,37+,38-,41+,44-,45+,46+,47-/m0/s1
SMILES: [2H]C([2H])([C@@H]1C[C@H]1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)I
InChI: InChI=1S/C14H24INO4/c1-13(2,3)19-11(17)16(10-7-9(10)8-15)12(18)20-14(4,5)6/h9-10H,7-8H2,1-6H3/t9-,10+/m0/s1/i8D2
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=CN=CC=C5)CSC6=NC=NN6
InChI: InChI=1S/C34H33N5O4S/c1-22-30(20-44-34-37-21-38-39-34)42-33(43-31(22)25-10-8-23(19-40)9-11-25)26-14-12-24(13-15-26)29-7-3-2-5-27(29)18-36-32(41)28-6-4-16-35-17-28/h2-17,21-22,30-31,33,40H,18-20H2,1H3,(H,36,41)(H,37,38,39)/t22-,30+,31+,33+/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C[C@@H](CC2=CC=C(C=C2)CCCN3CCSCC3)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)O
InChI: InChI=1S/C40H53N3O5S/c1-40(2,3)48-39(47)41-34(25-29-10-5-4-6-11-29)35(44)27-32(38(46)42-37-33-14-8-7-13-31(33)26-36(37)45)24-30-17-15-28(16-18-30)12-9-19-43-20-22-49-23-21-43/h4-8,10-11,13-18,32,34-37,44-45H,9,12,19-27H2,1-3H3,(H,41,47)(H,42,46)/t32-,34+,35+,36-,37+/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@@H](O[C@@H]2O1)[C@@H](CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)C
InChI: InChI=1S/C43H42O15/c1-43(2)57-36-33(31(29(45)23-44)55-42(36)58-43)56-41-35(54-40(49)28-21-13-6-14-22-28)34(53-39(48)27-19-11-5-12-20-27)32(52-38(47)26-17-9-4-10-18-26)30(51-41)24-50-37(46)25-15-7-3-8-16-25/h3-22,29-36,41-42,44-45H,23-24H2,1-2H3/t29-,30-,31+,32+,33+,34+,35-,36-,41+,42-/m1/s1
SMILES: CC(CCC(=O)N1CCC[C@@H]1C(=O)O)[C@H]2CCC3[C@@]2(CCC4C3[C@H](C[C@@H]5[C@@]4(CC[C@H](C5)O)C)O)C
InChI: InChI=1S/C29H47NO5/c1-17(6-9-25(33)30-14-4-5-23(30)27(34)35)20-7-8-21-26-22(11-13-29(20,21)3)28(2)12-10-19(31)15-18(28)16-24(26)32/h17-24,26,31-32H,4-16H2,1-3H3,(H,34,35)/t17?,18-,19-,20-,21?,22?,23-,24+,26?,28+,29-/m1/s1
SMILES: C[C@H]([C@@H](C1=NC=C(C=C1)O)O)[C@@H](C(=O)N[C@@H]([C@@H]2[C@H]([C@H](C(O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)N.C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O
InChI: InChI=1S/C20H25N5O10.C13H12F2N6O/c1-7(13(28)9-3-2-8(26)6-22-9)11(21)17(31)24-12(19(32)33)16-14(29)15(30)18(35-16)25-5-4-10(27)23-20(25)34;14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h2-7,11-16,18,26,28-30H,21H2,1H3,(H,24,31)(H,32,33)(H,23,27,34);1-3,6-9,22H,4-5H2/t7-,11-,12-,13-,14-,15+,16+,18?;/m0./s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3SC4=CC=CC=C4)OC(=O)C)OC(=O)C
InChI: InChI=1S/C22H22N4O7S/c1-12(27)30-9-16-18(31-13(2)28)19(32-14(3)29)22(33-16)26-11-25-17-20(26)23-10-24-21(17)34-15-7-5-4-6-8-15/h4-8,10-11,16,18-19,22H,9H2,1-3H3/t16-,18-,19-,22-/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)N(P(=O)(N2CC3=CC=CC=C3)C(C=CC4=CC=CC=C4)O)CC5=CC=CC=C5
InChI: InChI=1S/C29H33N2O2P/c32-29(21-20-24-12-4-1-5-13-24)34(33)30(22-25-14-6-2-7-15-25)27-18-10-11-19-28(27)31(34)23-26-16-8-3-9-17-26/h1-9,12-17,20-21,27-29,32H,10-11,18-19,22-23H2/t27-,28-,29?/m1/s1
SMILES: C1=CC=C2C3[C@H]4[C@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CC=C(C=C6)O
InChI: InChI=1S/C24H17NO3/c26-14-11-9-13(10-12-14)25-23(27)21-19-15-5-1-2-6-16(15)20(22(21)24(25)28)18-8-4-3-7-17(18)19/h1-12,19-22,26H/t19?,20?,21-,22-/m0/s1
SMILES: C1[C@@]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC5=CC=CC=C5C4=O)O)O)O)O)O)(CO)O
InChI: InChI=1S/C24H26O13/c25-8-24(32)9-34-23(21(24)31)33-7-15-18(28)19(29)20(30)22(37-15)35-10-5-12(26)16-14(6-10)36-13-4-2-1-3-11(13)17(16)27/h1-6,15,18-23,25-26,28-32H,7-9H2/t15-,18-,19+,20-,21+,22-,23-,24-/m1/s1
SMILES: C[C@]12CC3=C(C=C1CCC[C@@]24CC(CO4)(C)O)N(N=C3)C5=CC=C(C=C5)F
InChI: InChI=1S/C22H25FN2O2/c1-20(26)13-22(27-14-20)9-3-4-16-10-19-15(11-21(16,22)2)12-24-25(19)18-7-5-17(23)6-8-18/h5-8,10,12,26H,3-4,9,11,13-14H2,1-2H3/t20?,21-,22+/m0/s1
SMILES: C[C@@H](C(=O)OCC(=O)NC1=CC2=C(CCC2)C=C1)N3C(=O)[C@@H]4CCCC[C@H]4C3=O
InChI: InChI=1S/C22H26N2O5/c1-13(24-20(26)17-7-2-3-8-18(17)21(24)27)22(28)29-12-19(25)23-16-10-9-14-5-4-6-15(14)11-16/h9-11,13,17-18H,2-8,12H2,1H3,(H,23,25)/t13-,17+,18+/m0/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CCC)[C@H]1CC(=NOC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC5=CC=CC(=C5)C=O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C51H74N2O9/c1-5-8-9-10-11-12-13-14-15-20-32-59-50(57)53(28-6-2)47-36-45(52-58-4)43-34-39(23-16-18-29-54)42(25-17-19-30-55)48-44-35-41(61-40-24-21-22-38(33-40)37-56)26-27-46(44)62-51(47,49(43)48)60-31-7-3/h7,21-22,24,26-27,33-35,37,39,42,47-49,54-55H,3,5-6,8-20,23,25,28-32,36H2,1-2,4H3/t39-,42+,47-,48+,49+,51+/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(C[C@@H]6CC[C@H]7C[C@@H]6C7(C)C)C[C@@H](CO)O)O)C(=C5)C(=O)C8=CC9=CC=CC=C9S8)O)C
InChI: InChI=1S/C44H59NO5S/c1-39(2)29-10-9-28(32(39)20-29)23-45(24-31(48)25-46)26-43(50)16-13-37-41(43,4)15-12-36-40(3)14-11-30(47)21-42(40)17-18-44(36,37)33(22-42)38(49)35-19-27-7-5-6-8-34(27)51-35/h5-8,17-19,22,28-32,36-37,46-48,50H,9-16,20-21,23-26H2,1-4H3/t28-,29-,30?,31-,32-,36+,37+,40+,41-,42-,43+,44+/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)CNC(=O)NC45CC6CC(C4)CC(C6)C5)CSC7=NN=C(S7)C
InChI: InChI=1S/C34H42N4O4S2/c1-20-29(19-43-33-38-37-21(2)44-33)41-31(42-30(20)27-7-5-23(18-39)6-8-27)28-9-3-22(4-10-28)17-35-32(40)36-34-14-24-11-25(15-34)13-26(12-24)16-34/h3-10,20,24-26,29-31,39H,11-19H2,1-2H3,(H2,35,36,40)/t20-,24?,25?,26?,29+,30+,31+,34?/m0/s1
SMILES: C[C@H](CCC(=O)C[C@H]1[C@H](CC(=O)O1)OC(=O)C)OC(=O)C
InChI: InChI=1S/C14H20O7/c1-8(19-9(2)15)4-5-11(17)6-12-13(20-10(3)16)7-14(18)21-12/h8,12-13H,4-7H2,1-3H3/t8-,12+,13+/m1/s1
SMILES: C1C[C@H]2[C@H]3[C@@H]([C@@H]1O2)C(=O)N(C3=O)C4=CC=CC=C4F
InChI: InChI=1S/C14H12FNO3/c15-7-3-1-2-4-8(7)16-13(17)11-9-5-6-10(19-9)12(11)14(16)18/h1-4,9-12H,5-6H2/t9-,10+,11-,12+
SMILES: CC1=CC[C@H](OC1=O)[C@@H](C)[C@H]2CC[C@@]3([C@@]2(CCC4=C3C=C[C@@H]5C(=C4)C=CC(=O)OC5(C)C)C)C
InChI: InChI=1S/C30H38O4/c1-18-7-11-25(33-27(18)32)19(2)22-14-16-30(6)24-10-9-23-20(8-12-26(31)34-28(23,3)4)17-21(24)13-15-29(22,30)5/h7-10,12,17,19,22-23,25H,11,13-16H2,1-6H3/t19-,22+,23+,25-,29+,30-/m0/s1
SMILES: CC1=CC=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)OC
InChI: InChI=1S/C28H21NO6/c1-15-10-12-17(13-11-15)29-26(32)21-22(27(29)33)28(24(30)19-8-3-4-9-20(19)25(28)31)35-23(21)16-6-5-7-18(14-16)34-2/h3-14,21-23H,1-2H3/t21-,22-,23+/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@H]2[C@@H](NC(=O)N[C@]2(C(F)(F)F)O)C3=CC=CS3
InChI: InChI=1S/C16H13F3N2O3S/c17-16(18,19)15(24)11(13(22)9-5-2-1-3-6-9)12(20-14(23)21-15)10-7-4-8-25-10/h1-8,11-12,24H,(H2,20,21,23)/t11-,12+,15+/m1/s1
SMILES: CCOC(=O)[C@H]1[C@@H](CC(=CC1=O)/C=C/C2=CC=C(C=C2)N(C)C)C3=CC=CC=C3
InChI: InChI=1S/C25H27NO3/c1-4-29-25(28)24-22(20-8-6-5-7-9-20)16-19(17-23(24)27)11-10-18-12-14-21(15-13-18)26(2)3/h5-15,17,22,24H,4,16H2,1-3H3/b11-10+/t22-,24-/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=O)C=C3O2)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,26-30H,8H2,1-2H3/t17-,19+,20+,21-,23-/m1/s1
SMILES: CCCCCCCCCCCCCC=CC(C(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)N)O
InChI: InChI=1S/C24H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h14-15,18-24,26-30H,2-13,16-17,25H2,1H3/t18?,19?,20-,21+,22+,23-,24-/m1/s1
SMILES: CC1=CC(=C(C=C1)C)N2C(=O)[C@H]3C[C@H]([C@H](C[C@@H]3C2=O)Br)Br
InChI: InChI=1S/C16H17Br2NO2/c1-8-3-4-9(2)14(5-8)19-15(20)10-6-12(17)13(18)7-11(10)16(19)21/h3-5,10-13H,6-7H2,1-2H3/t10-,11-,12-,13+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C6=CC(=C(C(=C6)Br)O)OC)C(=O)N(C5=O)C7=CC=C(C=C7)C=C)C(=O)N(C3=O)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C42H34BrCl2N3O7/c1-4-21-5-10-25(11-6-21)47-38(50)28-15-14-27-29(35(28)40(47)52)20-30-39(51)48(46-33-16-9-24(44)19-32(33)45)41(53)42(30,23-7-12-26(54-2)13-8-23)36(27)22-17-31(43)37(49)34(18-22)55-3/h4-14,16-19,28-30,35-36,46,49H,1,15,20H2,2-3H3/t28-,29+,30-,35-,36-,42+/m0/s1
SMILES: C1CN(N=C1C2=CC=CC=C2)C(=O)COC(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C21H21N3O5/c25-18(24-11-10-17(22-24)14-6-2-1-3-7-14)13-29-19(26)12-23-20(27)15-8-4-5-9-16(15)21(23)28/h1-7,15-16H,8-13H2/t15-,16-/m0/s1
SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3C2=CC=C4[C@@]3([C@H](C[C@@H](C4)O)O)C)C
InChI: InChI=1S/C27H44O3/c1-17(7-6-13-25(2,3)30)21-10-11-22-20-9-8-18-15-19(28)16-24(29)27(18,5)23(20)12-14-26(21,22)4/h8-9,17,19,21-24,28-30H,6-7,10-16H2,1-5H3/t17-,19-,21-,22+,23-,24+,26-,27+/m1/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=C(C=C(C=C7)OC)O)C(=O)N(C5=O)C8=CC=C(C=C8)C=C
InChI: InChI=1S/C42H37N3O6/c1-4-25-12-16-28(17-13-25)44-38(47)32-21-20-30-33(36(32)40(44)49)23-34-39(48)45(43-27-14-10-24(2)11-15-27)41(50)42(34,26-8-6-5-7-9-26)37(30)31-19-18-29(51-3)22-35(31)46/h4-20,22,32-34,36-37,43,46H,1,21,23H2,2-3H3/t32-,33+,34-,36-,37+,42+/m0/s1
SMILES: CCCCCCCC[C@H]1[C@@H]2[C@H](C(=O)O1)OC(=O)[C@@]2(C)S(=O)C3=CC=CC=C3
InChI: InChI=1S/C21H28O5S/c1-3-4-5-6-7-11-14-16-17-18(19(22)25-16)26-20(23)21(17,2)27(24)15-12-9-8-10-13-15/h8-10,12-13,16-18H,3-7,11,14H2,1-2H3/t16-,17+,18+,21-,27?/m0/s1
SMILES: CCOP(=O)(C([C@@H]1[C@H]([C@@H]([C@@H](N1CCNC2[C@H](O[C@@H]([C@@H]([C@H]2O)NC(=O)C)OC)CO)CO)O)O)(F)F)OCC
InChI: InChI=1S/C21H40F2N3O11P/c1-5-35-38(33,36-6-2)21(22,23)19-18(32)16(30)12(9-27)26(19)8-7-24-14-13(10-28)37-20(34-4)15(17(14)31)25-11(3)29/h12-20,24,27-28,30-32H,5-10H2,1-4H3,(H,25,29)/t12-,13+,14?,15+,16+,17-,18-,19-,20-/m0/s1
SMILES: C[C@]12CC[C@@H](CC1=CC=C3[C@@H]2CC[C@]4([C@H]3CC[C@]4(CN(CC5=CC=CC=C5)C(=O)OC6=CC7=CC=CC=C7C=C6)O)C)O
InChI: InChI=1S/C38H43NO4/c1-36-19-16-30(40)23-29(36)13-15-32-33(36)17-20-37(2)34(32)18-21-38(37,42)25-39(24-26-8-4-3-5-9-26)35(41)43-31-14-12-27-10-6-7-11-28(27)22-31/h3-15,22,30,33-34,40,42H,16-21,23-25H2,1-2H3/t30-,33-,34-,36-,37-,38+/m0/s1
SMILES: CC1([C@@H]2CC3=C(C(=C(C=C3C(=O)[C@@]2(C4=CC=CC=C41)O)OC)O)O)C
InChI: InChI=1S/C20H20O5/c1-19(2)12-6-4-5-7-13(12)20(24)15(19)9-10-11(18(20)23)8-14(25-3)17(22)16(10)21/h4-8,15,21-22,24H,9H2,1-3H3/t15-,20-/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H](CC2=C(C1=O)[C@@H](CC(=O)N2)C3=CSC=C3)C4=CC=CC=C4
InChI: InChI=1S/C22H21NO4S/c1-2-27-22(26)20-15(13-6-4-3-5-7-13)10-17-19(21(20)25)16(11-18(24)23-17)14-8-9-28-12-14/h3-9,12,15-16,20H,2,10-11H2,1H3,(H,23,24)/t15-,16-,20-/m0/s1
SMILES: C1CC[C@@H]2[C@H](C1)CCCN2C(=O)CNS(=O)(=O)C3=CC4=C(CCCC4)C=C3
InChI: InChI=1S/C21H30N2O3S/c24-21(23-13-5-9-17-7-3-4-10-20(17)23)15-22-27(25,26)19-12-11-16-6-1-2-8-18(16)14-19/h11-12,14,17,20,22H,1-10,13,15H2/t17-,20-/m1/s1
SMILES: CC1([C@H]2CC[C@H]([C@@H]1C2)CN([C@@H]3C=C([C@H]4[C@@H]([C@H]3O)OC5=C4C=C(C=C5OC)CO)C(=O)NCCO)C(=O)C6CCC6)C
InChI: InChI=1S/C32H44N2O7/c1-32(2)20-8-7-19(23(32)13-20)15-34(31(39)18-5-4-6-18)24-14-22(30(38)33-9-10-35)26-21-11-17(16-36)12-25(40-3)28(21)41-29(26)27(24)37/h11-12,14,18-20,23-24,26-27,29,35-37H,4-10,13,15-16H2,1-3H3,(H,33,38)/t19-,20-,23-,24+,26-,27-,29-/m0/s1
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CC=C4[C@@]3(CC5(CC4)OCCO5)C)C)O
InChI: InChI=1S/C23H34O4/c1-15(24)23(25)11-8-19-17-5-4-16-6-10-22(26-12-13-27-22)14-20(16,2)18(17)7-9-21(19,23)3/h4,17-19,25H,5-14H2,1-3H3/t17-,18+,19-,20-,21-,23-/m0/s1
SMILES: CCCCCC1(O[C@@H]2C=C(C[C@H]([C@@H]2O1)OC(=O)C3=CC=CC(=C3)C=CC(=O)N(C)C)C(=O)N4CCC[C@@H]4C(=O)NCCO)CCCCC
InChI: InChI=1S/C37H53N3O8/c1-5-7-9-18-37(19-10-8-6-2)47-31-25-28(35(44)40-21-12-15-29(40)34(43)38-20-22-41)24-30(33(31)48-37)46-36(45)27-14-11-13-26(23-27)16-17-32(42)39(3)4/h11,13-14,16-17,23,25,29-31,33,41H,5-10,12,15,18-22,24H2,1-4H3,(H,38,43)/t29-,30-,31-,33+/m1/s1
SMILES: CCO[C@]1(CC2=COC=C2[C@H]([C@H]3[C@@H]1CC(C3)(C)C)OC(=O)[C@@H]([C@H](C4=CC=CC=C4)NC(=O)C5=CC=CC=C5)O)C
InChI: InChI=1S/C33H39NO6/c1-5-39-33(4)16-23-19-38-20-25(23)29(24-17-32(2,3)18-26(24)33)40-31(37)28(35)27(21-12-8-6-9-13-21)34-30(36)22-14-10-7-11-15-22/h6-15,19-20,24,26-29,35H,5,16-18H2,1-4H3,(H,34,36)/t24-,26+,27+,28-,29+,33+/m1/s1
SMILES: CC1=C2CC[C@@H]3[C@H](C2=C(C=C1)O)CC[C@]4([C@H]3CCC4=O)C
InChI: InChI=1S/C19H24O2/c1-11-3-7-16(20)18-12(11)4-5-13-14(18)9-10-19(2)15(13)6-8-17(19)21/h3,7,13-15,20H,4-6,8-10H2,1-2H3/t13-,14-,15+,19+/m1/s1
SMILES: C[C@H](C(=O)O)N(C)C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)[C@@H]2OC)COC(=O)C
InChI: InChI=1S/C15H20N2O9S/c1-7(15(21)22)16(3)12(19)10-9(5-26-8(2)18)6-27(23,24)14-11(25-4)13(20)17(10)14/h7,11,14H,5-6H2,1-4H3,(H,21,22)/t7-,11+,14-/m1/s1
SMILES: CCOC(=O)O[C@@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C(=O)[C@@H]([C@@H]2C1)Br)CC[C@@H]4[C@H](C)CCC(=O)OC)C)C
InChI: InChI=1S/C28H43BrO6/c1-6-34-26(32)35-17-11-13-28(4)20-12-14-27(3)18(16(2)7-10-22(30)33-5)8-9-19(27)23(20)25(31)24(29)21(28)15-17/h16-21,23-24H,6-15H2,1-5H3/t16-,17-,18-,19+,20+,21+,23+,24-,27-,28-/m1/s1
SMILES: CC[C@H]1[C@@H]([Se][C@@H](CC1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C19H20OSe/c1-2-16-17(20)13-18(14-9-5-3-6-10-14)21-19(16)15-11-7-4-8-12-15/h3-12,16,18-19H,2,13H2,1H3/t16-,18+,19+/m1/s1
SMILES: CCOC(=O)C[C@@H]1[C@@](C[C@@H]2[C@@H](O1)CCCO2)(C)O
InChI: InChI=1S/C13H22O5/c1-3-16-12(14)7-11-13(2,15)8-10-9(18-11)5-4-6-17-10/h9-11,15H,3-8H2,1-2H3/t9-,10+,11+,13-/m0/s1
SMILES: CC(=O)C1=NOC(=C1)[C@@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)C)O
InChI: InChI=1S/C24H31NO4/c1-14(26)20-13-21(29-25-20)24(28)11-8-19-17-5-4-15-12-16(27)6-9-22(15,2)18(17)7-10-23(19,24)3/h12-13,17-19,28H,4-11H2,1-3H3/t17-,18+,19+,22+,23+,24-/m1/s1
SMILES: CC[C@H]1[C@@H]2CCN([C@H]1C3=C(C2)NC4=CC=CC=C43)C(=O)OCC5=CC=CC=C5
InChI: InChI=1S/C24H26N2O2/c1-2-18-17-12-13-26(24(27)28-15-16-8-4-3-5-9-16)23(18)22-19-10-6-7-11-20(19)25-21(22)14-17/h3-11,17-18,23,25H,2,12-15H2,1H3/t17-,18+,23-/m1/s1
SMILES: COC(=O)C1=CC=CC2=C1N[C@@H]([C@H]3[C@@H]2C=CC3)C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C20H17Cl2NO2/c1-25-20(24)16-7-3-6-14-12-4-2-5-13(12)18(23-19(14)16)15-9-8-11(21)10-17(15)22/h2-4,6-10,12-13,18,23H,5H2,1H3/t12-,13+,18-/m0/s1
SMILES: C[C@H]1[C@H](C2=C(CN1S(=O)(=O)C3=CC=CC=C3)[N+](=C(S2)C4=CC=CC=C4)C)OC.COS(=O)(=O)[O-]
InChI: InChI=1S/C21H23N2O3S2.CH4O4S/c1-15-19(26-3)20-18(22(2)21(27-20)16-10-6-4-7-11-16)14-23(15)28(24,25)17-12-8-5-9-13-17;1-5-6(2,3)4/h4-13,15,19H,14H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1/t15-,19+;/m0./s1
SMILES: C[C@@H]1C[C@@H]1C(=O)NC2=CC=C(C=C2)C3=NN=C4N3CCCCC4
InChI: InChI=1S/C18H22N4O/c1-12-11-15(12)18(23)19-14-8-6-13(7-9-14)17-21-20-16-5-3-2-4-10-22(16)17/h6-9,12,15H,2-5,10-11H2,1H3,(H,19,23)/t12-,15+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=S)N/N=C\C2=CC(=C(C=C2)OCC#N)OC
InChI: InChI=1S/C18H24N4O2S/c1-13-5-3-4-6-15(13)21-18(25)22-20-12-14-7-8-16(24-10-9-19)17(11-14)23-2/h7-8,11-13,15H,3-6,10H2,1-2H3,(H2,21,22,25)/b20-12-/t13-,15+/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H](N(C2(C)C)CC3=CC=CC=C3)C4=CC=CC=C4[C@@H](C5=CC=CO5)NC6=CC=C(C=C6)OC
InChI: InChI=1S/C36H42N2O3/c1-25-16-21-31-33(23-25)41-35(38(36(31,2)3)24-26-11-6-5-7-12-26)30-14-9-8-13-29(30)34(32-15-10-22-40-32)37-27-17-19-28(39-4)20-18-27/h5-15,17-20,22,25,31,33-35,37H,16,21,23-24H2,1-4H3/t25-,31-,33-,34+,35+/m1/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=CC=CC=C4OCCO)Cl)C5=CC=C(C=C5)F)Cl)[C@@H]6[C@H]1C(=O)N(C6=O)C(=O)N
InChI: InChI=1S/C29H24Cl2FN3O7/c30-28-13-19-16(9-10-18-21(19)24(38)35(23(18)37)27(33)41)22(17-3-1-2-4-20(17)42-12-11-36)29(28,31)26(40)34(25(28)39)15-7-5-14(32)6-8-15/h1-9,18-19,21-22,36H,10-13H2,(H2,33,41)/t18-,19+,21-,22+,28+,29-/m0/s1
SMILES: C[C@@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)S/C=C/C(=O)OCCN)O
InChI: InChI=1S/C14H18N2O6S/c1-7(17)11-8-6-9(12(14(20)21)16(8)13(11)19)23-5-2-10(18)22-4-3-15/h2,5,7-8,11,17H,3-4,6,15H2,1H3,(H,20,21)/b5-2+/t7-,8+,11+/m0/s1
SMILES: CC(=O)S[C@@H]1[C@@H](C(=O)N1C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC(C)(C)C)NC(=O)COC5=CC=CC=C5
InChI: InChI=1S/C37H37N2O6PS/c1-26(40)47-35-32(38-31(41)25-44-27-17-9-5-10-18-27)33(42)39(35)34(36(43)45-37(2,3)4)46(28-19-11-6-12-20-28,29-21-13-7-14-22-29)30-23-15-8-16-24-30/h5-24,32,35H,25H2,1-4H3,(H,38,41)/t32-,35-/m1/s1
SMILES: CC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)CBr)Cl)Cl)C(=O)N(C4=O)CC6=CC=CS6)O
InChI: InChI=1S/C27H23BrCl2N2O5S/c1-13-9-14(4-7-19(13)33)21-16-5-6-17-20(23(35)31(22(17)34)11-15-3-2-8-38-15)18(16)10-26(29)24(36)32(12-28)25(37)27(21,26)30/h2-5,7-9,17-18,20-21,33H,6,10-12H2,1H3/t17-,18+,20-,21-,26+,27-/m0/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@H](O1)O[C@H]2C3=C(C=CC(=C3C[C@@H](O2)C(=O)C)OC)OC)OC(=O)C)OC(=O)C
InChI: InChI=1S/C23H30O10/c1-11(24)18-9-15-16(27-5)7-8-17(28-6)21(15)23(32-18)33-20-10-19(30-13(3)25)22(12(2)29-20)31-14(4)26/h7-8,12,18-20,22-23H,9-10H2,1-6H3/t12-,18+,19-,20+,22+,23-/m0/s1
SMILES: CN1C[C@H](C[C@]2([C@H]1CC3=CN(C4=CC=CC2=C34)C)OC)COC(=O)C5=CC(=CN=C5)Br
InChI: InChI=1S/C24H26BrN3O3/c1-27-13-17-8-21-24(30-3,19-5-4-6-20(27)22(17)19)9-15(12-28(21)2)14-31-23(29)16-7-18(25)11-26-10-16/h4-7,10-11,13,15,21H,8-9,12,14H2,1-3H3/t15-,21+,24-/m0/s1
SMILES: CC12[C@H]3[C@@H](C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC=CC=C6
InChI: InChI=1S/C25H19NO2/c1-25-18-13-7-5-11-16(18)20(17-12-6-8-14-19(17)25)21-22(25)24(28)26(23(21)27)15-9-3-2-4-10-15/h2-14,20-22H,1H3/t20?,21-,22+,25?/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H](C=C(O2)S(=O)(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C33H32O6S/c34-40(35,29-19-11-4-12-20-29)32-21-30(37-23-27-15-7-2-8-16-27)33(38-24-28-17-9-3-10-18-28)31(39-32)25-36-22-26-13-5-1-6-14-26/h1-21,30-31,33H,22-25H2/t30-,31-,33+/m1/s1
SMILES: C[C@H]([C@@H](C1=NC=C(C=C1)O)O)[C@@H](C(=O)N[C@@H]([C@@H]2[C@H]([C@H](C(O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)N
InChI: InChI=1S/C20H25N5O10/c1-7(13(28)9-3-2-8(26)6-22-9)11(21)17(31)24-12(19(32)33)16-14(29)15(30)18(35-16)25-5-4-10(27)23-20(25)34/h2-7,11-16,18,26,28-30H,21H2,1H3,(H,24,31)(H,32,33)(H,23,27,34)/t7-,11-,12-,13-,14-,15+,16+,18?/m0/s1
SMILES: CC(=O)OC[C@@H]1C[C@H]2[C@@H](N3[C@H]([C@@H]1N2C)CC4=C([C@@H]3COC(=O)C)C(=CC=C4)OC)C#N
InChI: InChI=1S/C23H29N3O5/c1-13(27)30-11-16-9-17-19(10-24)26-18(23(16)25(17)3)8-15-6-5-7-21(29-4)22(15)20(26)12-31-14(2)28/h5-7,16-20,23H,8-9,11-12H2,1-4H3/t16-,17-,18-,19-,20-,23+/m0/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)CC=O)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C15H28O5Si/c1-14(2,3)21(6,7)20-11-10(8-9-16)17-13-12(11)18-15(4,5)19-13/h9-13H,8H2,1-7H3/t10-,11+,12-,13-/m1/s1
SMILES: CC(C)OC(=O)[C@H]1[C@@H](OC(O1)[C@@]2(C[C@H]2C3=CC=CC=C3)C)C(=O)OC(C)C
InChI: InChI=1S/C21H28O6/c1-12(2)24-18(22)16-17(19(23)25-13(3)4)27-20(26-16)21(5)11-15(21)14-9-7-6-8-10-14/h6-10,12-13,15-17,20H,11H2,1-5H3/t15-,16+,17+,21+/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=C(C=C34)C(=O)/C=C/C5=CC=CO5)OC(=O)C)C
InChI: InChI=1S/C29H32O6/c1-17(30)34-27-15-19-6-8-22-21(12-13-29(3)25(22)9-11-28(29)35-18(2)31)23(19)16-24(27)26(32)10-7-20-5-4-14-33-20/h4-5,7,10,14-16,21-22,25,28H,6,8-9,11-13H2,1-3H3/b10-7+/t21-,22+,25-,28-,29-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3OC
InChI: InChI=1S/C21H26N2O4S/c1-15-8-3-4-11-18(15)22-21(24)16-9-7-10-17(14-16)28(25,26)23-19-12-5-6-13-20(19)27-2/h5-7,9-10,12-15,18,23H,3-4,8,11H2,1-2H3,(H,22,24)/t15-,18+/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2C(=NCC=C)[C@@H]3[C@H](O2)OC(O3)(C)C)C
InChI: InChI=1S/C15H23NO5/c1-6-7-16-10-11(9-8-17-14(2,3)19-9)18-13-12(10)20-15(4,5)21-13/h6,9,11-13H,1,7-8H2,2-5H3/t9-,11-,12-,13-/m1/s1
SMILES: C[C@@H]\1[C@H]2[C@H](CC/C1=C\C(=O)OCCNC)[C@]3(CC[C@@H]([C@]([C@@H]3C(=O)[C@@H]2O)(C)C(=O)OC)O)C
InChI: InChI=1S/C24H37NO7/c1-13-14(12-17(27)32-11-10-25-4)6-7-15-18(13)19(28)20(29)21-23(15,2)9-8-16(26)24(21,3)22(30)31-5/h12-13,15-16,18-19,21,25-26,28H,6-11H2,1-5H3/b14-12+/t13-,15-,16-,18-,19+,21+,23+,24-/m0/s1
SMILES: CO[C@H]1[C@@H](C2=CC=CC=C2C3=C1N=C4C=CC5=CC=CC=C5C4=C3)O
InChI: InChI=1S/C22H17NO2/c1-25-22-20-18(15-8-4-5-9-16(15)21(22)24)12-17-14-7-3-2-6-13(14)10-11-19(17)23-20/h2-12,21-22,24H,1H3/t21-,22-/m1/s1
SMILES: C[C@H]([C@H]1[C@@H](C(=O)OC1(C)C)C(=O)NCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OC
InChI: InChI=1S/C24H27NO5/c1-15(21(26)17-10-12-18(29-4)13-11-17)20-19(23(28)30-24(20,2)3)22(27)25-14-16-8-6-5-7-9-16/h5-13,15,19-20H,14H2,1-4H3,(H,25,27)/t15-,19-,20+/m1/s1
SMILES: C1[C@H]2[C@H]1C(=O)N(C2=O)N3C(=O)/C(=C/C4=CC=C(C=C4)C#N)/SC3=S
InChI: InChI=1S/C16H9N3O3S2/c17-7-9-3-1-8(2-4-9)5-12-15(22)19(16(23)24-12)18-13(20)10-6-11(10)14(18)21/h1-5,10-11H,6H2/b12-5-/t10-,11-/m0/s1