EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)OC)O)OC)OC
InChI: InChI=1S/C16H30O11/c1-21-6-8-12(22-2)13(23-3)11(20)15(26-8)27-16-14(24-4)10(19)9(18)7(5-17)25-16/h7-20H,5-6H2,1-4H3/t7-,8+,9-,10+,11+,12+,13+,14-,15+,16-/m0/s1
SMILES: CC(C)(C)OC(=O)N1CC[C@@H]([C@H]1CO[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C16H33NO4Si/c1-15(2,3)21-14(19)17-10-9-13(18)12(17)11-20-22(7,8)16(4,5)6/h12-13,18H,9-11H2,1-8H3/t12-,13+/m1/s1
SMILES: C[C@H]1CC[C@@H]2[C@@]13[C@@H]4[C@H]2C(=O)O[C@@H]4C(=CC3=O)OC
InChI: InChI=1S/C14H16O4/c1-6-3-4-7-10-11-12(18-13(10)16)8(17-2)5-9(15)14(6,7)11/h5-7,10-12H,3-4H2,1-2H3/t6-,7-,10-,11+,12+,14-/m0/s1
SMILES: CC[C@@H]1[C@@](C2C(C(=NC(=O)C)C(C[C@](C([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3C([C@H](C[C@H](O3)C)N(C)C)O)(OC/C(=C\C4=CC(=CC=C4)C5=CC=CC=C5)/CO2)C)C)C)(C)O
InChI: InChI=1S/C47H66N2O10/c1-12-38-47(9,54)43-29(4)39(48-32(7)50)27(2)24-46(8,56-26-34(25-55-43)22-33-17-16-20-36(23-33)35-18-14-13-15-19-35)42(30(5)40(51)31(6)44(53)58-38)59-45-41(52)37(49(10)11)21-28(3)57-45/h13-20,22-23,27-31,37-38,41-43,45,52,54H,12,21,24-26H2,1-11H3/b34-22-,48-39?/t27?,28-,29?,30+,31-,37+,38-,41?,42?,43?,45+,46-,47-/m1/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1NC(=O)NCCNCCN)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CNC(=O)NCCNCCN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)NC(=O)NCCNCCN)O)NC(=O)NCCNCCN
InChI: InChI=1S/C38H80N16O15/c39-1-5-43-9-13-47-35(62)51-18-22-26(57)28(59)29(60)34(66-22)69-32-21(53-37(64)49-15-11-45-7-3-41)17-20(52-36(63)48-14-10-44-6-2-40)31(30(32)61)68-33-27(58)24(25(56)23(19-55)67-33)54-38(65)50-16-12-46-8-4-42/h20-34,43-46,55-61H,1-19,39-42H2,(H2,47,51,62)(H2,48,52,63)(H2,49,53,64)(H2,50,54,65)/t20-,21+,22-,23-,24+,25-,26-,27-,28+,29-,30-,31+,32-,33-,34-/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC3=CC=CC4=CC=CC=C43)C(=O)OC5=CC6=CC=CC=C6C=C5)O)C7=C(C=C(C[C@H](CC1)O)C=C7)C(=O)C8=CC=C(O8)C9=C(C=CC(=C9)C(F)(F)F)Cl)C
InChI: InChI=1S/C56H51ClF3NO6/c1-35-9-8-27-54(2)48(45-22-17-36(29-42(62)20-16-35)30-46(45)52(63)51-25-24-50(67-51)47-32-41(56(58,59)60)19-23-49(47)57)26-28-55(54,65)34-61(33-40-14-7-13-38-11-5-6-15-44(38)40)53(64)66-43-21-18-37-10-3-4-12-39(37)31-43/h3-7,9-15,17-19,21-25,30-32,42,48,62,65H,8,16,20,26-29,33-34H2,1-2H3/t42-,48-,54-,55+/m0/s1
SMILES: CCCCCCCCCCCS[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C17H34O5S/c1-2-3-4-5-6-7-8-9-10-11-23-17-16(21)15(20)14(19)13(12-18)22-17/h13-21H,2-12H2,1H3/t13-,14-,15+,16-,17-/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=C(C(=C5Br)Br)O)OC)C(=O)N(C4=O)C6=CC=C(C=C6)NC7=CC=CC=C7)C(=O)N(C2=O)C8=CC=CC=C8
InChI: InChI=1S/C40H33Br2N3O6/c1-40-29(37(48)45(39(40)50)23-11-7-4-8-12-23)19-27-25(32(40)28-20-30(51-2)35(46)34(42)33(28)41)17-18-26-31(27)38(49)44(36(26)47)24-15-13-22(14-16-24)43-21-9-5-3-6-10-21/h3-17,20,26-27,29,31-32,43,46H,18-19H2,1-2H3/t26-,27+,29-,31-,32+,40+/m0/s1
SMILES: CCCC(=O)OC[C@@]1([C@H](CC[C@]2([C@H]1C[C@@H]([C@@]3([C@@H]2[C@H](C4=C(O3)C=C(OC4=O)C5=CN=CC=C5)O)C)OC(=O)C)C)OC(=O)C)C
InChI: InChI=1S/C33H41NO10/c1-7-9-26(37)40-17-32(5)23-15-25(42-19(3)36)33(6)29(31(23,4)12-11-24(32)41-18(2)35)28(38)27-22(44-33)14-21(43-30(27)39)20-10-8-13-34-16-20/h8,10,13-14,16,23-25,28-29,38H,7,9,11-12,15,17H2,1-6H3/t23-,24+,25+,28+,29-,31+,32+,33-/m1/s1
SMILES: CC(C)CCCC(C)[C@H]1CCC2[C@@]1(CCC3[C@H]2CCC4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19?,20?,21-,22-,23+,24?,25?,26-,27+/m0/s1
SMILES: C1C[C@]([C@H]2[C@@H]1[13C@@H]2[13C](=O)O)([13C](=O)O)[15NH2]
InChI: InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1/i4+1,6+1,7+1,9+1
SMILES: C[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2CC3C=CC4C5CC(=O)OC(CCCC(CC(=O)C5=CC4C3C2)OC)C)OC(=O)C(Cl)Cl)OC)OC
InChI: InChI=1S/C33H46Cl2O10/c1-16-7-6-8-19(39-3)13-26(36)25-14-23-21(24(25)15-27(37)42-16)10-9-18-11-20(12-22(18)23)44-33-30(45-32(38)31(34)35)29(41-5)28(40-4)17(2)43-33/h9-10,14,16-24,28-31,33H,6-8,11-13,15H2,1-5H3/t16?,17-,18?,19?,20?,21?,22?,23?,24?,28+,29-,30-,33+/m1/s1
SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3C[C@@H]4[C@H](C3)C4C(=N)OCCS(=O)(=O)C)F
InChI: InChI=1S/C21H27FN4O6S/c1-12(27)24-8-14-9-26(21(28)32-14)13-3-4-18(17(22)7-13)25-10-15-16(11-25)19(15)20(23)31-5-6-33(2,29)30/h3-4,7,14-16,19,23H,5-6,8-11H2,1-2H3,(H,24,27)/t14-,15-,16+,19?/m0/s1
SMILES: CC1=NC(=CS1)/C=C(\C)/[C@H](C[C@H]2[C@@](O2)(C)CCC[C@H](C)[C@@H]([C@@H](C)C(=O)C(C)(C)[C@H](CC(=O)O)O)O)O
InChI: InChI=1S/C27H43NO7S/c1-15(24(33)17(3)25(34)26(5,6)21(30)13-23(31)32)9-8-10-27(7)22(35-27)12-20(29)16(2)11-19-14-36-18(4)28-19/h11,14-15,17,20-22,24,29-30,33H,8-10,12-13H2,1-7H3,(H,31,32)/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1
SMILES: C1C=CC[C@@H]([C@@H]1C(=O)NC2=CC(=C(C=C2)F)F)C(=O)O
InChI: InChI=1S/C14H13F2NO3/c15-11-6-5-8(7-12(11)16)17-13(18)9-3-1-2-4-10(9)14(19)20/h1-2,5-7,9-10H,3-4H2,(H,17,18)(H,19,20)/t9-,10+/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CNC(=O)C5=C(C(=C(C(=C5F)F)F)F)F)CSC6=CC=CC=C6C(=O)O
InChI: InChI=1S/C40H32F5NO6S/c1-21-29(20-53-30-9-5-4-8-28(30)39(49)50)51-40(52-37(21)24-12-10-22(19-47)11-13-24)25-16-14-23(15-17-25)27-7-3-2-6-26(27)18-46-38(48)31-32(41)34(43)36(45)35(44)33(31)42/h2-17,21,29,37,40,47H,18-20H2,1H3,(H,46,48)(H,49,50)/t21-,29+,37+,40+/m0/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=CC(=CC=C7)O)C(=O)N(C5=O)C8=CC(=CC(=C8)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C41H31F6N3O5/c1-21-10-12-26(13-11-21)48-50-36(53)32-20-31-29(34(22-6-5-9-28(51)16-22)39(32,38(50)55)23-7-3-2-4-8-23)14-15-30-33(31)37(54)49(35(30)52)27-18-24(40(42,43)44)17-25(19-27)41(45,46)47/h2-14,16-19,30-34,48,51H,15,20H2,1H3/t30-,31+,32-,33-,34-,39+/m0/s1
SMILES: C1CN2CCC1[C@@H]([C@@H]2C(C3=CC=CC=C3)C4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C27H29NO/c1-4-10-21(11-5-1)20-29-27-24-16-18-28(19-17-24)26(27)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-27H,16-20H2/t26-,27-/m0/s1
SMILES: CC(=O)ON(C)CC[C@H]1[C@@H](CC2=C(C1(C)O)NC3=CC=CC=C23)CCO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C
InChI: InChI=1S/C36H46N2O4Si/c1-26(39)42-38(6)23-21-32-27(25-31-30-19-13-14-20-33(30)37-34(31)36(32,5)40)22-24-41-43(35(2,3)4,28-15-9-7-10-16-28)29-17-11-8-12-18-29/h7-20,27,32,37,40H,21-25H2,1-6H3/t27-,32+,36?/m1/s1
SMILES: CCC/C=C/C1=C(C(=O)[C@@H]2[C@H]([C@@H]1OC(=O)C)O2)COC(=O)C
InChI: InChI=1S/C16H20O6/c1-4-5-6-7-11-12(8-20-9(2)17)13(19)15-16(22-15)14(11)21-10(3)18/h6-7,14-16H,4-5,8H2,1-3H3/b7-6+/t14-,15-,16+/m1/s1
SMILES: CC(C)N1C(=O)[C@H]2[C@@H](N(O[C@H]2C1=O)C3=CC=CC=C3)C4=C(C=C(C=C4)OC)OC
InChI: InChI=1S/C22H24N2O5/c1-13(2)23-21(25)18-19(16-11-10-15(27-3)12-17(16)28-4)24(29-20(18)22(23)26)14-8-6-5-7-9-14/h5-13,18-20H,1-4H3/t18-,19-,20+/m0/s1
SMILES: CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4[C@@H]3O)OC)OC
InChI: InChI=1S/C23H26O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,11,16,20-22,24H,8,10H2,1-4H3/t16-,20-,21+,22-/m1/s1
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C(=C2NC(=O)OCC=C)O)O)/C
InChI: InChI=1S/C41H52N2O14/c1-11-16-54-40(52)43-30-29-35(49)27-26(34(30)48)28-37(23(7)33(27)47)57-41(9,38(28)50)55-17-15-25(53-10)20(4)36(56-24(8)44)22(6)32(46)21(5)31(45)18(2)13-12-14-19(3)39(51)42-29/h11-15,17-18,20-22,25,31-32,36,45-49H,1,16H2,2-10H3,(H,42,51)(H,43,52)/b13-12+,17-15+,19-14-/t18-,20+,21+,22+,25-,31-,32+,36+,41-/m0/s1
SMILES: CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)NC(CC1=CC=CC=C1)P(=O)(OCC)OCC)O)O)CC)OC)C(=O)OC)O
InChI: InChI=1S/C55H72N5O10P/c1-8-51(64)31-36-32-54(50(63)68-7,45-38(22-26-59(33-36)34-51)37-20-15-16-21-41(37)56-45)40-29-39-42(30-43(40)67-6)58(5)47-53(39)24-27-60-25-17-23-52(9-2,46(53)60)48(61)55(47,65)49(62)57-44(28-35-18-13-12-14-19-35)71(66,69-10-3)70-11-4/h12-21,23,29-30,36,44,46-48,56,61,64-65H,8-11,22,24-28,31-34H2,1-7H3,(H,57,62)/t36-,44?,46+,47-,48-,51+,52-,53-,54+,55+/m1/s1
SMILES: C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)[C@H]([C@@H]([C@@H]([C@H]3O)O)O)O
InChI: InChI=1S/C17H18O6/c18-11-8-10(7-6-9-4-2-1-3-5-9)23-17-12(11)13(19)14(20)15(21)16(17)22/h1-5,8,13-16,19-22H,6-7H2/t13-,14+,15+,16-/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=CC(=C(C=C4)O)F)C5=CC=CC=C5)C6=CC(=CC=C6)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)CCC(=O)O
InChI: InChI=1S/C35H28ClFN2O7/c36-20-7-4-8-21(16-20)39-32(44)25-17-24-22(10-11-23-29(24)33(45)38(31(23)43)14-13-28(41)42)30(18-9-12-27(40)26(37)15-18)35(25,34(39)46)19-5-2-1-3-6-19/h1-10,12,15-16,23-25,29-30,40H,11,13-14,17H2,(H,41,42)/t23-,24+,25-,29-,30-,35+/m0/s1
SMILES: C=C1[C@H]([C@@H](NC(=O)N1)C2=CC=CS2)C(=O)NC3=CC=CC=C3F
InChI: InChI=1S/C16H14FN3O2S/c1-9-13(15(21)19-11-6-3-2-5-10(11)17)14(20-16(22)18-9)12-7-4-8-23-12/h2-8,13-14H,1H2,(H,19,21)(H2,18,20,22)/t13-,14+/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C18H13N3O5/c1-10-2-6-12(7-3-10)20-17(22)14-15(19-26-16(14)18(20)23)11-4-8-13(9-5-11)21(24)25/h2-9,14,16H,1H3/t14-,16+/m1/s1
SMILES: C1=CC=C(C=C1)C[C@H]2[C@@H]3[C@H](C(=O)NC3=O)[C@@]4([NH2+]2)C5=C(C(=CC=C5)Cl)NC4=O
InChI: InChI=1S/C20H16ClN3O3/c21-12-8-4-7-11-16(12)22-19(27)20(11)15-14(17(25)23-18(15)26)13(24-20)9-10-5-2-1-3-6-10/h1-8,13-15,24H,9H2,(H,22,27)(H,23,25,26)/p+1/t13-,14+,15+,20-/m0/s1
SMILES: CC(C)CC(=O)O[C@@H]1[C@H](C2=C(C=CC(=C2O)/C=C/C(=O)N3CCCCC3)OC1(C)C)[NH+]4CCCCC4
InChI: InChI=1S/C29H42N2O5/c1-20(2)19-24(33)35-28-26(31-17-9-6-10-18-31)25-22(36-29(28,3)4)13-11-21(27(25)34)12-14-23(32)30-15-7-5-8-16-30/h11-14,20,26,28,34H,5-10,15-19H2,1-4H3/p+1/b14-12+/t26-,28+/m0/s1
SMILES: CSC1=CC=C(C=C1)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOC5CCCCO5)C6=C[C@@H]([C@H]([C@H]3[C@@H]64)CCCCO)CCCCO)N(CC7=CC=C(C=C7)F)C(=O)OCCC=C)OCC=C
InChI: InChI=1S/C51H63FN2O9S/c1-4-6-29-59-50(57)54(34-35-16-18-37(52)19-17-35)46-33-44(53-63-47-15-9-12-30-58-47)42-31-36(13-7-10-26-55)41(14-8-11-27-56)48-43-32-39(61-38-20-23-40(64-3)24-21-38)22-25-45(43)62-51(46,49(42)48)60-28-5-2/h4-5,16-25,31-32,36,41,46-49,55-56H,1-2,6-15,26-30,33-34H2,3H3/t36-,41+,46-,47?,48+,49+,51+/m0/s1
SMILES: C[C@H]([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O[C@H]4[C@@H]([C@@H]([C@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C
InChI: InChI=1S/C33H38N2O13/c1-16(27(31(40)41)35-33(42)44-14-25-23-12-8-6-10-21(23)22-11-7-9-13-24(22)25)45-32-28(34-17(2)36)30(47-20(5)39)29(46-19(4)38)26(48-32)15-43-18(3)37/h6-13,16,25-30,32H,14-15H2,1-5H3,(H,34,36)(H,35,42)(H,40,41)/t16-,26-,27+,28-,29+,30+,32-/m1/s1
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)C4=CC=C(C=C4)CO[N+](=O)[O-])O)CCC5=CC(=O)C=C[C@]35C)O
InChI: InChI=1S/C29H33NO9/c1-27-11-9-20(31)13-19(27)7-8-21-22-10-12-29(35,28(22,2)14-23(32)25(21)27)24(33)16-38-26(34)18-5-3-17(4-6-18)15-39-30(36)37/h3-6,9,11,13,21-23,25,32,35H,7-8,10,12,14-16H2,1-2H3/t21-,22-,23-,25+,27-,28-,29-/m0/s1
SMILES: C[C@H](C1CCCCC1)NC(=O)O[C@H]2[C@@H](OC3=C(C2=O)C=C(C=C3)OC)C4=CC(=CC=C4)OC
InChI: InChI=1S/C26H31NO6/c1-16(17-8-5-4-6-9-17)27-26(29)33-25-23(28)21-15-20(31-3)12-13-22(21)32-24(25)18-10-7-11-19(14-18)30-2/h7,10-17,24-25H,4-6,8-9H2,1-3H3,(H,27,29)/t16-,24+,25-/m1/s1
SMILES: CCCCOC(=O)[C@H]([C@H]1[C@@H]([C@@]([C@H]([C@@H](N1O)C2=CC=CO2)O)(CO)O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C33H41N3O12/c1-2-3-15-47-31(42)25(27-29(40)33(44,19-37)28(39)26(36(27)45)24-10-7-16-46-24)35-30(41)23(17-20-11-13-22(38)14-12-20)34-32(43)48-18-21-8-5-4-6-9-21/h4-14,16,23,25-29,37-40,44-45H,2-3,15,17-19H2,1H3,(H,34,43)(H,35,41)/t23-,25-,26-,27-,28-,29-,33-/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=C(C=C4)OCC5=CC=CC=C5)O)C6=CC=CC=C6)C7=CC(=CC=C7)Cl)[C@@H]8[C@H]1C(=O)N(C8=O)CCCCCC(=O)O
InChI: InChI=1S/C45H41ClN2O8/c46-29-15-10-16-30(23-29)48-42(53)36-25-35-32(20-21-34-39(35)43(54)47(41(34)52)22-9-3-8-17-38(50)51)40(45(36,44(48)55)28-13-6-2-7-14-28)33-19-18-31(24-37(33)49)56-26-27-11-4-1-5-12-27/h1-2,4-7,10-16,18-20,23-24,34-36,39-40,49H,3,8-9,17,21-22,25-26H2,(H,50,51)/t34-,35+,36-,39-,40+,45+/m0/s1
SMILES: CCCOC[C@H]1[C@H]2[C@@H]([C@@H]3[C@H](O1)OC(O3)(C)C)OC(O2)(C)C
InChI: InChI=1S/C15H26O6/c1-6-7-16-8-9-10-11(19-14(2,3)18-10)12-13(17-9)21-15(4,5)20-12/h9-13H,6-8H2,1-5H3/t9-,10-,11-,12+,13+/m0/s1
SMILES: CC1=CC=CC=C1N2C(=O)[C@H]3[C@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=C(C(=C(C=C5)OC)OC)C(=O)O
InChI: InChI=1S/C27H24N2O7/c1-15-9-7-8-12-18(15)28-25(30)21-22(17-13-14-19(34-2)23(35-3)20(17)27(32)33)29(36-24(21)26(28)31)16-10-5-4-6-11-16/h4-14,21-22,24H,1-3H3,(H,32,33)/t21-,22+,24+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=CO4
InChI: InChI=1S/C21H30N4O2S/c1-15-8-5-6-11-17(15)22-19(26)14-28-21-24-23-20(18-12-7-13-27-18)25(21)16-9-3-2-4-10-16/h7,12-13,15-17H,2-6,8-11,14H2,1H3,(H,22,26)/t15-,17+/m0/s1
SMILES: C[C@@]12CC[C@@H]3[C@H](CC3(C)C)C(=CC4=CC=C(C=C4)CN5[C@H]6C(=O)O[C@@H]7C[C@]6([C@H](O5)[C@@H]8[C@H]7OC(O8)(C9=CC=CC=C9)C3=CC=CC=C3)C(=O)N(C)[C@H](CC3=CC=CC=C3)C(=O)NCCO)CCC1O2
InChI: InChI=1S/C56H63N3O9/c1-53(2)32-41-38(24-25-45-54(3,65-45)27-26-42(41)53)30-36-20-22-37(23-21-36)34-59-48-51(62)64-44-33-55(48,52(63)58(4)43(50(61)57-28-29-60)31-35-14-8-5-9-15-35)49(68-59)47-46(44)66-56(67-47,39-16-10-6-11-17-39)40-18-12-7-13-19-40/h5-23,30,41-49,60H,24-29,31-34H2,1-4H3,(H,57,61)/t41-,42-,43-,44-,45?,46+,47+,48+,49-,54-,55+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C([C@@H]4C=CO[C@@H]4O3)C(=C2)OS(=O)(=O)C5=CC=C(C=C5)C
InChI: InChI=1S/C24H20O8S2/c1-15-3-7-18(8-4-15)33(25,26)31-17-13-21-23(20-11-12-29-24(20)30-21)22(14-17)32-34(27,28)19-9-5-16(2)6-10-19/h3-14,20,24H,1-2H3/t20-,24+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=NC(=N4)N)N
InChI: InChI=1S/C20H25N7OS/c1-11-6-5-9-15(12(11)2)27-17(28)13-7-3-4-8-14(13)23-20(27)29-10-16-24-18(21)26-19(22)25-16/h3-4,7-8,11-12,15H,5-6,9-10H2,1-2H3,(H4,21,22,24,25,26)/t11-,12+,15+/m1/s1
SMILES: CCC(=O)N1C[C@@H]([C@H](C1)C2=CC=CC=C2)CN3[C@H]4CC[C@H]3CC(C4)N5C(=NC6=C5CCN(C6)C(=O)C)C
InChI: InChI=1S/C30H41N5O2/c1-4-30(37)33-16-23(27(18-33)22-8-6-5-7-9-22)17-34-24-10-11-25(34)15-26(14-24)35-20(2)31-28-19-32(21(3)36)13-12-29(28)35/h5-9,23-27H,4,10-19H2,1-3H3/t23-,24+,25+,27-/m1/s1
SMILES: CC/C=C(/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O)\CO[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C42H60O7Si/c1-8-18-37(29-48-50(31(2)3,32(4)5)33(6)7)28-47-42-39(43)41(46-27-36-23-16-11-17-24-36)40(45-26-35-21-14-10-15-22-35)38(49-42)30-44-25-34-19-12-9-13-20-34/h9-24,31-33,38-43H,8,25-30H2,1-7H3/b37-18-/t38-,39-,40-,41-,42-/m1/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)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N
InChI: InChI=1S/C18H38N6O9/c19-2-6-10(25)8(23)13(28)18(31-6)33-16-5(22)1-4(21)15(14(16)29)32-17-9(24)12(27)11(26)7(3-20)30-17/h4-18,25-29H,1-3,19-24H2/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1
SMILES: C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)/C=C\C5=NC=CS5
InChI: InChI=1S/C25H22N2O5S2/c1-25(13-12-19-26-14-15-33-19)23(27-20(28)16-21(27)34(25,30)31)24(29)32-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,21-23H,16H2,1H3/b13-12-/t21-,23+,25+/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)C4=C(C(=C(C(=C4F)F)F)F)F)CSC5=NC6=CC=CC=C6S5
InChI: InChI=1S/C33H25F5N2O4S2/c1-16-22(15-45-33-40-21-4-2-3-5-23(21)46-33)43-32(44-30(16)18-8-6-17(14-41)7-9-18)19-10-12-20(13-11-19)39-31(42)24-25(34)27(36)29(38)28(37)26(24)35/h2-13,16,22,30,32,41H,14-15H2,1H3,(H,39,42)/t16-,22+,30+,32+/m1/s1
SMILES: [3H]C1C[C@]2([C@@H](CCC2=O)[C@H]3[C@]1([C@H]4CCC(=CC4=CC3)O)[3H])CC
InChI: InChI=1S/C19H26O2/c1-2-19-10-9-15-14-6-4-13(20)11-12(14)3-5-16(15)17(19)7-8-18(19)21/h3,11,14-17,20H,2,4-10H2,1H3/t14-,15+,16+,17-,19-/m0/s1/i9T,15T/t9?,14-,15+,16+,17-,19-
SMILES: CC1=CC=C(C=C1)N2[C@H]3CS(=O)(=O)C[C@H]3N(C2=O)C4=CC=CC(=C4C)C
InChI: InChI=1S/C20H22N2O3S/c1-13-7-9-16(10-8-13)21-18-11-26(24,25)12-19(18)22(20(21)23)17-6-4-5-14(2)15(17)3/h4-10,18-19H,11-12H2,1-3H3/t18-,19+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)NC(=S)NNC(=O)CCOC2=CC=CC=C2C
InChI: InChI=1S/C19H29N3O2S/c1-13-8-6-9-16(15(13)3)20-19(25)22-21-18(23)11-12-24-17-10-5-4-7-14(17)2/h4-5,7,10,13,15-16H,6,8-9,11-12H2,1-3H3,(H,21,23)(H2,20,22,25)/t13-,15-,16-/m0/s1
SMILES: CC[C@H]1C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@](CC(=C8N6)C(=O)OC)(C=CC9)CC)OC)C(=O)OC
InChI: InChI=1S/C43H52N4O5/c1-6-26-19-27-22-43(40(49)52-5,36-29(13-17-46(24-26)25-27)28-11-8-9-12-33(28)44-36)32-20-31-34(21-35(32)50-3)45-37-30(38(48)51-4)23-41(7-2)14-10-16-47-18-15-42(31,37)39(41)47/h8-12,14,20-21,26-27,39,44-45H,6-7,13,15-19,22-25H2,1-5H3/t26-,27-,39-,41-,42-,43-/m0/s1
SMILES: CC(C)C(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C3=C2N=C(N=C3OC)NC=O)I)OC(=O)C(C)C
InChI: InChI=1S/C21H27IN4O7/c1-10(2)19(28)31-8-14-13(33-20(29)11(3)4)6-15(32-14)26-7-12(22)16-17(26)24-21(23-9-27)25-18(16)30-5/h7,9-11,13-15H,6,8H2,1-5H3,(H,23,24,25,27)/t13-,14+,15+/m0/s1
SMILES: C[C@]12[C@@H]3CCC(C1=C[C@H]4[C@@]([C@H]2C(=O)O3)(O4)C)(C)C
InChI: InChI=1S/C15H20O3/c1-13(2)6-5-9-14(3)8(13)7-10-15(4,18-10)11(14)12(16)17-9/h7,9-11H,5-6H2,1-4H3/t9-,10-,11-,14+,15-/m0/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)/C(=C/N)/C#N
InChI: InChI=1S/C13H14N6O4/c14-1-6(2-15)8-9-12(17-4-16-8)19(5-18-9)13-11(22)10(21)7(3-20)23-13/h1,4-5,7,10-11,13,20-22H,3,14H2/b6-1+/t7-,10-,11-,13-/m1/s1
SMILES: CC(=O)C[C@H]1C[C@H]2[C@H]([C@H]3N1CCC4=C3NC5=CC=CC=C45)[C@@H](C67CC/C=C\CCCCN6CC28C7NCCC/C=C\CC8)O
InChI: InChI=1S/C38H52N4O2/c1-26(43)23-27-24-30-32(34-33-29(17-22-42(27)34)28-15-9-10-16-31(28)40-33)35(44)38-19-12-6-2-3-8-14-21-41(38)25-37(30)18-11-5-4-7-13-20-39-36(37)38/h2,4-6,9-10,15-16,27,30,32,34-36,39-40,44H,3,7-8,11-14,17-25H2,1H3/b5-4-,6-2-/t27-,30-,32+,34+,35-,36?,37?,38?/m0/s1
SMILES: C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C3=CC=CC=C3)[C@H](C4(C[C@@H]5[C@H](CC(C5=O)(C)C)C([C@H]2OC(=O)C)(C4OC(=O)C)C)OC(=O)C)OC(=O)COC(=O)C)O
InChI: InChI=1S/C37H46O14/c1-18-14-36(45)27(28(18)50-31(44)23-12-10-9-11-13-23)30(49-26(42)17-46-19(2)38)37(51-22(5)41)15-24-25(16-34(6,7)29(24)43)35(8,32(36)47-20(3)39)33(37)48-21(4)40/h9-13,18,24-25,27-28,30,32-33,45H,14-17H2,1-8H3/t18-,24+,25-,27+,28-,30+,32+,33?,35?,36+,37?/m0/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=COC6=C(C5)C=C(C=C6)O)C(=O)N(C4=O)CCC(=O)O)Cl
InChI: InChI=1S/C27H24Cl2N2O8/c1-30-24(37)26(28)10-17-15(3-4-16-20(17)23(36)31(22(16)35)7-6-19(33)34)21(27(26,29)25(30)38)13-8-12-9-14(32)2-5-18(12)39-11-13/h2-3,5,9,11,16-17,20-21,32H,4,6-8,10H2,1H3,(H,33,34)/t16-,17+,20-,21-,26+,27-/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@H]([C@@H](C=C(O3)C(=O)OC)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)O[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C(C)(C)C
InChI: InChI=1S/C56H66O6Si3/c1-54(2,3)63(43-29-17-11-18-30-43,44-31-19-12-20-32-44)59-42-51-52(62-65(56(7,8)9,47-37-25-15-26-38-47)48-39-27-16-28-40-48)49(41-50(60-51)53(57)58-10)61-64(55(4,5)6,45-33-21-13-22-34-45)46-35-23-14-24-36-46/h11-41,49,51-52H,42H2,1-10H3/t49-,51-,52+/m1/s1
SMILES: COC(=O)CSCCSC[C@H]1[C@@H](C[C@H]([C@@H]1C#C[C@H](C2CCCCC2)O)O)Cl
InChI: InChI=1S/C20H31ClO4S2/c1-25-20(24)13-27-10-9-26-12-16-15(19(23)11-17(16)21)7-8-18(22)14-5-3-2-4-6-14/h14-19,22-23H,2-6,9-13H2,1H3/t15-,16-,17-,18-,19-/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)OS(=O)(=O)C(F)(F)F)C
InChI: InChI=1S/C25H31F3O7SSi/c1-23(2,3)37(17-12-8-6-9-13-17,18-14-10-7-11-15-18)31-16-19-20(35-36(29,30)25(26,27)28)21-22(32-19)34-24(4,5)33-21/h6-15,19-22H,16H2,1-5H3/t19-,20+,21-,22-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2OC(=O)C)OC)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C28H40O17/c1-12(29)37-10-21-23(39-14(3)31)19(24(40-15(4)32)28(36-8)45-21)9-20-25(41-16(5)33)27(43-18(7)35)26(42-17(6)34)22(44-20)11-38-13(2)30/h19-28H,9-11H2,1-8H3/t19-,20-,21+,22+,23-,24+,25-,26+,27+,28-/m0/s1
SMILES: C1=C(C=C(C2=C1N(C(=N2)N=[N+]=[N-])[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl)Cl
InChI: InChI=1S/C12H11Cl2N5O4/c13-4-1-5(14)8-6(2-4)19(12(16-8)17-18-15)11-10(22)9(21)7(3-20)23-11/h1-2,7,9-11,20-22H,3H2/t7-,9-,10-,11-/m1/s1
SMILES: CN1C(=O)N2CC=C3[C@H](N2C1=O)C[C@]4(C(=O)C(=C(C(=O)[C@]4([C@H]3C5=CC(=C(C(=C5Br)Br)O)OC)Cl)Cl)Cl)Cl
InChI: InChI=1S/C22H15Br2Cl4N3O6/c1-29-19(35)30-4-3-7-9(31(30)20(29)36)6-21(27)17(33)14(25)15(26)18(34)22(21,28)11(7)8-5-10(37-2)16(32)13(24)12(8)23/h3,5,9,11,32H,4,6H2,1-2H3/t9-,11-,21-,22+/m1/s1
SMILES: CP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C(N=CN=C32)N)O
InChI: InChI=1S/C11H16N5O5P/c1-22(18,19)20-3-7-6(17)2-8(21-7)16-5-15-9-10(12)13-4-14-11(9)16/h4-8,17H,2-3H2,1H3,(H,18,19)(H2,12,13,14)/t6-,7+,8+/m0/s1
SMILES: CCOC(=O)C[C@@H]1C[C@@H]2[C@@H]([C@@H](O1)C3=CC4=C(C=C3N2C(=O)OCC=C)OCO4)O
InChI: InChI=1S/C20H23NO8/c1-3-5-26-20(24)21-13-9-16-15(27-10-28-16)8-12(13)19-18(23)14(21)6-11(29-19)7-17(22)25-4-2/h3,8-9,11,14,18-19,23H,1,4-7,10H2,2H3/t11-,14+,18-,19-/m0/s1
SMILES: CC(C)NC[C@@]1(CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CC[C@@H]4[C@@]3(CCCC4)C)C)O
InChI: InChI=1S/C23H41NO/c1-16(2)24-15-23(25)14-11-20-18-9-8-17-7-5-6-12-21(17,3)19(18)10-13-22(20,23)4/h16-20,24-25H,5-15H2,1-4H3/t17-,18+,19-,20+,21+,22+,23-/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=CC(=C(C(=C8Br)Br)O)OC)C(=O)N(C7=O)C9=CC=C(C=C9)I)C
InChI: InChI=1S/C41H32Br2ClIN4O6S/c1-17-23-13-18(44)5-12-29(23)56-36(17)27-16-30(47(3)46-27)49-38(52)26-14-24-21(10-11-22-31(24)39(53)48(37(22)51)20-8-6-19(45)7-9-20)32(41(26,2)40(49)54)25-15-28(55-4)35(50)34(43)33(25)42/h5-10,12-13,15-16,22,24,26,31-32,50H,11,14H2,1-4H3/t22-,24+,26-,31-,32+,41+/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34O
InChI: InChI=1S/C18H22O3/c1-17-8-7-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)6-9-18(11,15)21/h6,9-10,13-15,21H,2-5,7-8H2,1H3/t13-,14-,15+,17-,18+/m0/s1
SMILES: CC1=CN(C(=O)N(C1=O)CCCBr)[C@H]2C[C@@H]([C@H](O2)COP(=O)(NC(C)C(=O)OC)OC3=CC=CC=C3)O
InChI: InChI=1S/C23H31BrN3O9P/c1-15-13-27(23(31)26(21(15)29)11-7-10-24)20-12-18(28)19(35-20)14-34-37(32,25-16(2)22(30)33-3)36-17-8-5-4-6-9-17/h4-6,8-9,13,16,18-20,28H,7,10-12,14H2,1-3H3,(H,25,32)/t16?,18-,19+,20+,37?/m0/s1
SMILES: CC1=CC(=C(C=C1)C)C(=O)COC(=O)CCN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O
InChI: InChI=1S/C22H25NO5/c1-12-3-4-13(2)16(9-12)17(24)11-28-18(25)7-8-23-21(26)19-14-5-6-15(10-14)20(19)22(23)27/h3-4,9,14-15,19-20H,5-8,10-11H2,1-2H3/t14-,15+,19-,20+
SMILES: CCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]2C(O1)C3=C(C(=C(C=C3C(=O)O2)O)O)O)O)O
InChI: InChI=1S/C19H24O10/c1-2-3-4-5-11(21)27-7-10-14(23)16(25)18-17(28-10)12-8(19(26)29-18)6-9(20)13(22)15(12)24/h6,10,14,16-18,20,22-25H,2-5,7H2,1H3/t10-,14-,16+,17?,18-/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)C5=CN=CC=C5)CSC6=CC=C(C=C6)NC(=O)C
InChI: InChI=1S/C40H39N3O5S/c1-26-37(25-49-36-17-15-35(16-18-36)43-27(2)45)47-40(48-38(26)30-13-11-28(24-44)12-14-30)33-9-4-8-32(21-33)31-7-3-6-29(20-31)22-42-39(46)34-10-5-19-41-23-34/h3-21,23,26,37-38,40,44H,22,24-25H2,1-2H3,(H,42,46)(H,43,45)/t26-,37+,38+,40+/m0/s1
SMILES: C1=CC=C2C(=C1)C(=O)C3(C2=O)[C@@H]4[C@H]([C@@H](O3)C5=CC=C(C=C5)Br)C(=O)N(C4=O)C6=C(C=C(C=C6)Cl)Cl
InChI: InChI=1S/C26H14BrCl2NO5/c27-13-7-5-12(6-8-13)21-19-20(25(34)30(24(19)33)18-10-9-14(28)11-17(18)29)26(35-21)22(31)15-3-1-2-4-16(15)23(26)32/h1-11,19-21H/t19-,20-,21+/m1/s1
SMILES: C1[C@@H]([C@H]([C@@H](C[C@@]1(C(=O)NCC(=O)N)O)O)O)NC(=O)NC2=C(C=C(C=C2)F)F
InChI: InChI=1S/C16H20F2N4O6/c17-7-1-2-9(8(18)3-7)21-15(27)22-10-4-16(28,5-11(23)13(10)25)14(26)20-6-12(19)24/h1-3,10-11,13,23,25,28H,4-6H2,(H2,19,24)(H,20,26)(H2,21,22,27)/t10-,11+,13+,16-/m0/s1
SMILES: CC(=O)O[C@H]1[C@]2(CC[C@H]([C@@H]2C=C)[C@]13CCC[C@@H]3OC)C=O
InChI: InChI=1S/C17H24O4/c1-4-12-13-7-9-16(12,10-18)15(21-11(2)19)17(13)8-5-6-14(17)20-3/h4,10,12-15H,1,5-9H2,2-3H3/t12-,13+,14-,15-,16+,17-/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O1)[C@H]([C@H]([C@H]([C@@H]2OCC3=CC=CC=C3)O)O)OCC4=CC=CC=C4)C
InChI: InChI=1S/C23H28O6/c1-23(2)28-21-19(26-13-15-9-5-3-6-10-15)17(24)18(25)20(22(21)29-23)27-14-16-11-7-4-8-12-16/h3-12,17-22,24-25H,13-14H2,1-2H3/t17-,18+,19-,20-,21+,22-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)C[C@H]2C[C@@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C17H30N2O5Si/c1-11-8-19(16(22)18-15(11)21)9-12-7-13(20)14(24-12)10-23-25(5,6)17(2,3)4/h8,12-14,20H,7,9-10H2,1-6H3,(H,18,21,22)/t12-,13+,14-/m1/s1