EdisonScientific/glyph-datasets huggingface dataset:
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(=C(C=C7)O)C)C(=O)N(C5=O)C8CCN(CC8)CC9=CC=CC=C9
InChI: InChI=1S/C46H46N4O5/c1-28-13-16-33(17-14-28)47-50-43(53)38-26-37-35(41(31-15-20-39(51)29(2)25-31)46(38,45(50)55)32-11-7-4-8-12-32)18-19-36-40(37)44(54)49(42(36)52)34-21-23-48(24-22-34)27-30-9-5-3-6-10-30/h3-18,20,25,34,36-38,40-41,47,51H,19,21-24,26-27H2,1-2H3/t36-,37+,38-,40-,41-,46+/m0/s1
SMILES: C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](CC/C=C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)\C)OC)OC(=O)N)\C)C)O)OC
InChI: InChI=1S/C31H45N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8,10,15-17,19,24-25,27,29,33,36H,1,9,11-14H2,2-7H3,(H2,32,39)(H,34,38)/b18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1
SMILES: CC(C)(C)OC(=O)[C@@H]1CCC(=C[C@@H]1N(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C19H37NO3Si/c1-18(2,3)22-17(21)15-12-11-14(13-16(15)20(7)8)23-24(9,10)19(4,5)6/h13,15-16H,11-12H2,1-10H3/t15-,16+/m1/s1
SMILES: C[C@]1(C[C@H]([C@@H]([C@@H](C1=O)O)O)O[Si](C)(C)C(C)(C)C)SC2=CC=CC=C2
InChI: InChI=1S/C19H30O4SSi/c1-18(2,3)25(5,6)23-14-12-19(4,17(22)16(21)15(14)20)24-13-10-8-7-9-11-13/h7-11,14-16,20-21H,12H2,1-6H3/t14-,15+,16+,19-/m1/s1
SMILES: CC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C.[Na]
InChI: InChI=1S/C21H32O5S.Na/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3;/h6,14-16,18-19H,4-5,7-12H2,1-3H3,(H,23,24,25);/t14-,15-,16-,18-,19-,20-,21+;/m0./s1
SMILES: CC1=CC(=C(C=C1)N2[C@H]3CS(=O)(=O)C[C@@H]3N(C2=O)C4=CC=CC=C4)C
InChI: InChI=1S/C19H20N2O3S/c1-13-8-9-16(14(2)10-13)21-18-12-25(23,24)11-17(18)20(19(21)22)15-6-4-3-5-7-15/h3-10,17-18H,11-12H2,1-2H3/t17-,18-/m0/s1
SMILES: COC(=O)CS(=O)CCCC[C@@H]1[C@H]([C@@H](CC1F)O)C#CC(C2CCCCC2)O
InChI: InChI=1S/C21H33FO5S/c1-27-21(25)14-28(26)12-6-5-9-16-17(20(24)13-18(16)22)10-11-19(23)15-7-3-2-4-8-15/h15-20,23-24H,2-9,12-14H2,1H3/t16-,17-,18?,19?,20-,28?/m1/s1
SMILES: C1CN(CCN1[C@H]2CS(=O)(=O)C[C@@H]2O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C21H26N2O3S/c24-20-16-27(25,26)15-19(20)22-11-13-23(14-12-22)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-21,24H,11-16H2/t19-,20-/m0/s1
SMILES: CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)C(=O)N[C@H](CCC(=O)O)C(=O)NC
InChI: InChI=1S/C45H85N3O10/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-35(30-28-26-24-22-20-18-16-14-12-10-8-6-2)42(54)48-37(33-57-45-41(53)40(52)39(51)34(3)58-45)44(56)47-36(43(55)46-4)31-32-38(49)50/h34-37,39-41,45,51-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,49,50)/t34-,36+,37-,39+,40+,41-,45-/m0/s1
SMILES: C1[C@@H]([C@@H](O[C@@H]1[C@@H](CO)O)N2C=NC3=C(N=CN=C32)N)O
InChI: InChI=1S/C11H15N5O4/c12-9-8-10(14-3-13-9)16(4-15-8)11-5(18)1-7(20-11)6(19)2-17/h3-7,11,17-19H,1-2H2,(H2,12,13,14)/t5-,6+,7-,11+/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)NC(=O)[C@@H]4CCCN4C(=O)C(F)(F)F)CN5CCCCC5
InChI: InChI=1S/C31H38F3N3O5/c1-20-26(18-36-14-3-2-4-15-36)41-29(42-27(20)22-12-10-21(19-38)11-13-22)23-7-5-8-24(17-23)35-28(39)25-9-6-16-37(25)30(40)31(32,33)34/h5,7-8,10-13,17,20,25-27,29,38H,2-4,6,9,14-16,18-19H2,1H3,(H,35,39)/t20-,25-,26+,27+,29+/m0/s1
SMILES: CC1=C(C=C(C=C1)N2[C@H]3CS(=O)(=O)C[C@@H]3N(CC2=O)CC4=CC=C(C=C4)F)C
InChI: InChI=1S/C21H23FN2O3S/c1-14-3-8-18(9-15(14)2)24-20-13-28(26,27)12-19(20)23(11-21(24)25)10-16-4-6-17(22)7-5-16/h3-9,19-20H,10-13H2,1-2H3/t19-,20-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@]4([C@H]([C@]3(C)CO)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@@]7([C@H]6CC(CC7)(C)C)C(=O)OC)C)C)C)O)O)O)O)O
InChI: InChI=1S/C42H68O12/c1-22-29(45)31(47)32(48)34(52-22)54-33-30(46)25(44)20-51-35(33)53-28-12-13-38(4)26(39(28,5)21-43)11-14-41(7)27(38)10-9-23-24-19-37(2,3)15-17-42(24,36(49)50-8)18-16-40(23,41)6/h9,22,24-35,43-48H,10-21H2,1-8H3/t22-,24-,25-,26+,27+,28-,29-,30-,31+,32+,33+,34-,35-,38-,39-,40+,41+,42-/m0/s1
SMILES: C1CC1C2=C3C(=NC(=N2)N)N(C=N3)C[C@@H]4[C@@H](C[C@@H](O4)P(=O)(O)O)F
InChI: InChI=1S/C13H17FN5O4P/c14-7-3-9(24(20,21)22)23-8(7)4-19-5-16-11-10(6-1-2-6)17-13(15)18-12(11)19/h5-9H,1-4H2,(H2,15,17,18)(H2,20,21,22)/t7-,8-,9+/m1/s1
SMILES: CN1C[C@@H](C[C@]2([C@H]1CC3=CN(C4=CC=CC2=C34)C)OC)COC(=O)C5=CC(=CN=C5)Cl
InChI: InChI=1S/C24H26ClN3O3/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+/m1/s1
SMILES: C[C@H](CCC(=O)NCCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3C2C(CC4[C@@]3(CC[C@@H](C4)O)C)O)O)C
InChI: InChI=1S/C27H45NO6/c1-15(4-7-23(32)28-11-9-24(33)34)18-5-6-19-25-20(14-22(31)27(18,19)3)26(2)10-8-17(29)12-16(26)13-21(25)30/h15-22,25,29-31H,4-14H2,1-3H3,(H,28,32)(H,33,34)/t15-,16?,17+,18-,19+,20+,21?,22+,25?,26+,27-/m1/s1
SMILES: C[C@]12CCC3[C@H]4CCC(=O)C=C4CCC3C1C[C@@H]5[C@]2(O[C@@H](O5)C6=CC=CO6)C(=O)CF
InChI: InChI=1S/C25H29FO5/c1-24-9-8-17-16-7-5-15(27)11-14(16)4-6-18(17)19(24)12-22-25(24,21(28)13-26)31-23(30-22)20-3-2-10-29-20/h2-3,10-11,16-19,22-23H,4-9,12-13H2,1H3/t16-,17?,18?,19?,22+,23+,24-,25+/m0/s1
SMILES: COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@](C[C@@H]4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)(C(=O)CO)O)C(=C3C2=O)O)O
InChI: InChI=1S/C27H26O15/c1-40-10-4-2-3-8-13(10)19(32)16-15(17(8)30)18(31)9-5-27(39,12(29)7-28)6-11(14(9)20(16)33)41-26-23(36)21(34)22(35)24(42-26)25(37)38/h2-4,11,21-24,26,28,31,33-36,39H,5-7H2,1H3,(H,37,38)/t11-,21-,22-,23+,24-,26+,27-/m0/s1
SMILES: CCOC(=O)N1CC=C2[C@H](C1)[C@@H](C(C(=N)C2C#N)(C#N)C#N)C3=CC(=CC=C3)F
InChI: InChI=1S/C21H18FN5O2/c1-2-29-20(28)27-7-6-15-16(9-23)19(26)21(11-24,12-25)18(17(15)10-27)13-4-3-5-14(22)8-13/h3-6,8,16-18,26H,2,7,10H2,1H3/t16?,17-,18-/m0/s1
SMILES: C1=CC=C(C=C1)CN2C(=O)[C@@H]3[C@H]4[C@@H]([C@@H]([C@H](N4O[C@@H]3C2=O)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C37H36N2O6/c40-36-31-32-35(44-24-29-19-11-4-12-20-29)33(43-23-28-17-9-3-10-18-28)30(25-42-22-27-15-7-2-8-16-27)39(32)45-34(31)37(41)38(36)21-26-13-5-1-6-14-26/h1-20,30-35H,21-25H2/t30-,31-,32+,33-,34+,35+/m1/s1
SMILES: C1[C@H]2CC(C[C@H]2[C@@H]([C@H]1O)C=O)CCOCC(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C26H31NO4/c28-17-24-23-14-20(13-21(23)15-25(24)29)11-12-31-18-26(30)27(22-9-5-2-6-10-22)16-19-7-3-1-4-8-19/h1-10,17,20-21,23-25,29H,11-16,18H2/t20?,21-,23-,24+,25+/m1/s1
SMILES: CCCCOC(=O)[C@H]1[C@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)C(C)C)O2
InChI: InChI=1S/C16H23NO4/c1-4-5-8-20-15(19)12-11-6-7-16(21-11)9-17(10(2)3)14(18)13(12)16/h6-7,10-13H,4-5,8-9H2,1-3H3/t11-,12+,13+,16-/m1/s1
SMILES: CC(=O)NS(=O)(=O)OC1=C(C=C2C3CC[C@@]4([C@H](CCC4C3CCC2=C1)O)C)OC
InChI: InChI=1S/C21H29NO6S/c1-12(23)22-29(25,26)28-19-10-13-4-5-15-14(16(13)11-18(19)27-3)8-9-21(2)17(15)6-7-20(21)24/h10-11,14-15,17,20,24H,4-9H2,1-3H3,(H,22,23)/t14?,15?,17?,20-,21-/m0/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@@H]2CN(CC3)C)S(=O)(=O)C4=C(C(=CC=C4)Cl)Cl
InChI: InChI=1S/C19H20Cl2N2O2S/c1-12-6-7-16-13(10-12)14-11-22(2)9-8-17(14)23(16)26(24,25)18-5-3-4-15(20)19(18)21/h3-7,10,14,17H,8-9,11H2,1-2H3/t14-,17+/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=C(C(=C(N2)C)C(=O)C)C
InChI: InChI=1S/C19H28N2O4/c1-10-7-6-8-15(11(10)2)21-16(23)9-25-19(24)18-12(3)17(14(5)22)13(4)20-18/h10-11,15,20H,6-9H2,1-5H3,(H,21,23)/t10-,11-,15-/m1/s1
SMILES: COC1=C(C(=C(C(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)C7=CC=C(C=C7)Br)Br)Br)O
InChI: InChI=1S/C33H22Br3Cl2FN2O6/c1-47-22-12-20(25(35)26(36)27(22)42)24-18-10-11-19-23(29(44)40(28(19)43)16-6-2-14(34)3-7-16)21(18)13-32(37)30(45)41(31(46)33(24,32)38)17-8-4-15(39)5-9-17/h2-10,12,19,21,23-24,42H,11,13H2,1H3/t19-,21+,23-,24+,32+,33-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)CSC2=NN=C(N2C)[C@@H](C)OC3=CC=CC=C3
InChI: InChI=1S/C20H28N4O2S/c1-14-9-7-8-12-17(14)21-18(25)13-27-20-23-22-19(24(20)3)15(2)26-16-10-5-4-6-11-16/h4-6,10-11,14-15,17H,7-9,12-13H2,1-3H3,(H,21,25)/t14-,15-,17+/m1/s1
SMILES: CCC1CCC2[C@@]1(CCC3C2CCC4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)OC)O)C)C
InChI: InChI=1S/C34H58O10/c1-6-18-8-10-22-21-9-7-19-15-20(11-13-34(19,4)23(21)12-14-33(18,22)3)42-32-28(39)30(40-5)29(17(2)41-32)44-31-27(38)26(37)25(36)24(16-35)43-31/h17-32,35-39H,6-16H2,1-5H3/t17-,18?,19?,20+,21?,22?,23?,24-,25-,26+,27-,28-,29+,30-,31+,32+,33-,34+/m1/s1
SMILES: C[C@H]1CN(CCN1)C(=N[C@H]2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)NC4=CC5=C(C=C4)C(=O)N(C=N5)C6[C@H](CC7=CC=CC=C67)O
InChI: InChI=1S/C33H42N6O2/c1-19-17-38(12-11-34-19)32(37-27-15-22-14-26(20(27)2)33(22,3)4)36-23-9-10-25-28(16-23)35-18-39(31(25)41)30-24-8-6-5-7-21(24)13-29(30)40/h5-10,16,18-20,22,26-27,29-30,34,40H,11-15,17H2,1-4H3,(H,36,37)/t19-,20-,22-,26+,27-,29-,30?/m0/s1
SMILES: C1CCC2(CC1)O[C@H]3[C@@H](O2)[C@@H](O[C@H]4[C@@H]3OC5(O4)CCCCC5)C(=O)[O-]
InChI: InChI=1S/C18H26O7/c19-15(20)13-11-12(23-17(22-11)7-3-1-4-8-17)14-16(21-13)25-18(24-14)9-5-2-6-10-18/h11-14,16H,1-10H2,(H,19,20)/p-1/t11-,12+,13-,14-,16-/m1/s1
SMILES: CN1CC2=C(C1=O)C(=CC3=CC4=C(C(=C23)O)C(=O)[C@]56[C@](CC(O5)OC)(OC[C@]6(C4=O)O)OC)O
InChI: InChI=1S/C23H21NO10/c1-24-7-11-14-9(5-12(25)15(11)20(24)29)4-10-16(17(14)26)19(28)23-21(30,18(10)27)8-33-22(23,32-3)6-13(31-2)34-23/h4-5,13,25-26,30H,6-8H2,1-3H3/t13?,21-,22+,23+/m1/s1
SMILES: CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)/C=C\C4=CC(=NO4)C(=O)N)C(=O)O
InChI: InChI=1S/C19H17N7O7S2/c1-32-25-11(10-6-35-19(21)22-10)15(28)23-12-16(29)26-13(18(30)31)7(5-34-17(12)26)2-3-8-4-9(14(20)27)24-33-8/h2-4,6,12,17H,5H2,1H3,(H2,20,27)(H2,21,22)(H,23,28)(H,30,31)/b3-2-,25-11-/t12-,17-/m1/s1
SMILES: CC(=NNC(=O)C1=CC=NC=C1)C2=CC[C@@H]3[C@@]2(CC[C@H]4[C@@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O)C)C
InChI: InChI=1S/C27H37N3O2/c1-17(29-30-25(32)18-10-14-28-15-11-18)22-6-7-23-21-5-4-19-16-20(31)8-12-26(19,2)24(21)9-13-27(22,23)3/h6,10-11,14-15,19-21,23-24,31H,4-5,7-9,12-13,16H2,1-3H3,(H,30,32)/t19-,20-,21+,23-,24-,26-,27+/m0/s1
SMILES: COC1=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)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)C7=CC=C(C=C7)C8=NC9=CC=CC=C9O8)O
InChI: InChI=1S/C40H28Cl2FN3O7/c1-52-31-18-21(8-17-29(31)47)33-25-15-16-26-32(27(25)19-39(41)37(50)46(38(51)40(33,39)42)24-13-9-22(43)10-14-24)36(49)45(35(26)48)23-11-6-20(7-12-23)34-44-28-4-2-3-5-30(28)53-34/h2-15,17-18,26-27,32-33,47H,16,19H2,1H3/t26-,27+,32-,33-,39+,40-/m0/s1
SMILES: C[C@@H]1C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H]2[C@H](C3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H](C(=O)N1)N(C2=O)C)OC)O)C)C)CC5=CC=C(C=C5)OC)C)C
InChI: InChI=1S/C41H50N6O10/c1-22-36(49)43-23(2)39(52)45(4)30(19-25-9-14-28(55-7)15-10-25)38(51)44-24(3)40(53)47(6)34-35(48)27-12-16-29(17-13-27)57-33-21-26(11-18-32(33)56-8)20-31(37(50)42-22)46(5)41(34)54/h9-18,21-24,30-31,34-35,48H,19-20H2,1-8H3,(H,42,50)(H,43,49)(H,44,51)/t22-,23+,24+,30+,31+,34+,35+/m1/s1
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)OC[C@H]2C[C@@H]3CC[NH+]2C[C@@H]3C#C
InChI: InChI=1S/C19H22N2O3/c1-3-14-11-21-9-8-16(14)10-18(21)12-24-19(23)20-17-6-4-15(5-7-17)13(2)22/h1,4-7,14,16,18H,8-12H2,2H3,(H,20,23)/p+1/t14-,16-,18+/m0/s1
SMILES: C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@@H](O[C@H](C[C@@H]2OC)O[C@@H]3[C@H](O[C@H](C[C@@H]3OC)O[C@@H]4CC5=CC[C@H]([C@@H]([C@]5(C[C@H]4O)C)CCC(=O)C6=C(OC=C6)C)C(=O)O)C)C)OC)O
InChI: InChI=1S/C41H62O15/c1-20-25(13-14-50-20)28(42)12-11-27-26(40(45)46)10-9-24-15-30(29(43)19-41(24,27)5)54-34-17-32(48-7)38(22(3)52-34)56-36-18-33(49-8)39(23(4)53-36)55-35-16-31(47-6)37(44)21(2)51-35/h9,13-14,21-23,26-27,29-39,43-44H,10-12,15-19H2,1-8H3,(H,45,46)/t21-,22-,23+,26-,27+,29-,30-,31+,32+,33+,34+,35+,36+,37-,38-,39-,41+/m1/s1
SMILES: C1=CC=C(C=C1)/C=N/C2O[C@@H]([C@H](O2)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C22H19NO2/c1-4-10-17(11-5-1)16-23-22-24-20(18-12-6-2-7-13-18)21(25-22)19-14-8-3-9-15-19/h1-16,20-22H/b23-16+/t20-,21-/m1/s1
SMILES: C[C@@H]1CC[C@]2(CCCCO2)O[C@@H]1[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)/C=C/[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)CCC[C@H](O7)C[C@](C)(C(=O)O)O)C)O)O
InChI: InChI=1S/C44H68O12/c1-26-22-35(54-44(24-26)17-9-10-32(53-44)25-41(6,49)40(47)48)27(2)11-12-31-14-19-43(52-31)20-15-34-39(56-43)36(46)30(5)38(51-34)33(45)23-29(4)37-28(3)13-18-42(55-37)16-7-8-21-50-42/h11-12,24,27-29,31-39,45-46,49H,5,7-10,13-23,25H2,1-4,6H3,(H,47,48)/b12-11+/t27-,28-,29+,31+,32+,33+,34-,35+,36-,37+,38+,39-,41-,42+,43-,44+/m1/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC3=C([C@H]2CC(=O)NCC#C)N=C(S3)NC(=O)C4CCCCC4)(C)CO)O
InChI: InChI=1S/C26H37N3O4S/c1-4-12-27-21(32)13-17-22-18(14-19-25(17,2)11-10-20(31)26(19,3)15-30)34-24(28-22)29-23(33)16-8-6-5-7-9-16/h1,16-17,19-20,30-31H,5-15H2,2-3H3,(H,27,32)(H,28,29,33)/t17-,19+,20-,25+,26+/m1/s1
SMILES: CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CCN3C(=O)[C@@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C23H31N3O3/c1-17-5-4-6-18(15-17)16-24-11-13-25(14-12-24)21(27)9-10-26-22(28)19-7-2-3-8-20(19)23(26)29/h4-6,15,19-20H,2-3,7-14,16H2,1H3/p+1/t19-,20+
SMILES: CCCCCCCN[C@H]1C=C([C@H]([C@@H]([C@@H]1OC(=O)N(C)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)COCC4=CC=CC=C4
InChI: InChI=1S/C38H50N2O5/c1-4-5-6-7-17-24-39-34-25-33(29-42-26-30-18-11-8-12-19-30)35(43-27-31-20-13-9-14-21-31)37(36(34)45-38(41)40(2)3)44-28-32-22-15-10-16-23-32/h8-16,18-23,25,34-37,39H,4-7,17,24,26-29H2,1-3H3/t34-,35+,36+,37-/m0/s1
SMILES: C[C@]1(CC2=C([C@H]([C@@H]1C(=O)OC)C3=CC4=C(C=C3)OCO4)C(=O)NN2)O
InChI: InChI=1S/C17H18N2O6/c1-17(22)6-9-13(15(20)19-18-9)12(14(17)16(21)23-2)8-3-4-10-11(5-8)25-7-24-10/h3-5,12,14,22H,6-7H2,1-2H3,(H2,18,19,20)/t12-,14-,17-/m1/s1
SMILES: C1[C@@H]([C@H](CN1C2=CC=C(C=C2)C3=CC=CC=C3)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
InChI: InChI=1S/C18H15F6NO6S2/c19-17(20,21)32(26,27)30-15-10-25(11-16(15)31-33(28,29)18(22,23)24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15-16H,10-11H2/t15-,16-/m0/s1
SMILES: CCC[NH+]1C[C@@H]2[C@@H](N(N=C2/C(=C/C3=CC=C(C=C3)N(C)C)/C1)C(=O)C)C4=CC=C(C=C4)N(C)C
InChI: InChI=1S/C28H37N5O/c1-7-16-32-18-23(17-21-8-12-24(13-9-21)30(3)4)27-26(19-32)28(33(29-27)20(2)34)22-10-14-25(15-11-22)31(5)6/h8-15,17,26,28H,7,16,18-19H2,1-6H3/p+1/b23-17+/t26-,28-/m0/s1
SMILES: CC1=C[C@H]2[C@@H]3[C@H]4C[C@H]5[C@H]3[C@@H]1O[C@H]5O[C@H]4O2
InChI: InChI=1S/C12H14O3/c1-4-2-7-8-5-3-6-9(8)10(4)14-12(6)15-11(5)13-7/h2,5-12H,3H2,1H3/t5-,6+,7+,8+,9-,10-,11-,12+/m1/s1
SMILES: CC(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC3=NC=CC(=N3)C4=CC=CS4
InChI: InChI=1S/C16H18N4O3S/c1-9(21)18-11-7-22-15-12(8-23-14(11)15)20-16-17-5-4-10(19-16)13-3-2-6-24-13/h2-6,11-12,14-15H,7-8H2,1H3,(H,18,21)(H,17,19,20)/t11-,12-,14+,15+/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H](CN1CC2=CC=CC=C2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O
InChI: InChI=1S/C19H29NO9/c1-9-14(23)15(24)11(22)7-20(9)6-10-4-2-3-5-12(10)28-19-18(27)17(26)16(25)13(8-21)29-19/h2-5,9,11,13-19,21-27H,6-8H2,1H3/t9-,11+,13+,14+,15-,16-,17-,18+,19+/m0/s1
SMILES: COC1=C(C(=CC(=C1)[C@H]2[C@H](C(=C)NC(=S)N2)C(=O)NCC3=CC=CC=C3)Br)OC4CCCC4
InChI: InChI=1S/C25H28BrN3O3S/c1-15-21(24(30)27-14-16-8-4-3-5-9-16)22(29-25(33)28-15)17-12-19(26)23(20(13-17)31-2)32-18-10-6-7-11-18/h3-5,8-9,12-13,18,21-22H,1,6-7,10-11,14H2,2H3,(H,27,30)(H2,28,29,33)/t21-,22-/m0/s1
SMILES: C[C@@H]1C=CC(=O)[C@@H]1[C@@H]2[C@@H](C[C@H]([C@H]2C=O)O)/C(=C\CC=C(C)C)/C
InChI: InChI=1S/C20H28O3/c1-12(2)6-5-7-13(3)15-10-18(23)16(11-21)20(15)19-14(4)8-9-17(19)22/h6-9,11,14-16,18-20,23H,5,10H2,1-4H3/b13-7-/t14-,15+,16-,18-,19-,20-/m1/s1
SMILES: CCC#CC[C@H](C)[C@@H](C#C[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)O)O
InChI: InChI=1S/C17H22O4/c1-3-4-5-6-11(2)14(18)8-7-12-13-9-17(20)21-16(13)10-15(12)19/h11-16,18-19H,3,6,9-10H2,1-2H3/t11-,12+,13+,14+,15+,16-/m0/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)O[C@@H](C)C(=O)NC3=NOC(=C3)C
InChI: InChI=1S/C18H24N4O6/c1-10-6-4-5-7-18(10)16(25)22(17(26)20-18)9-14(23)27-12(3)15(24)19-13-8-11(2)28-21-13/h8,10,12H,4-7,9H2,1-3H3,(H,20,26)(H,19,21,24)/t10-,12-,18-/m0/s1
SMILES: C[C@H](CCC[N+]#[C-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)[N+]#[C-])C)C
InChI: InChI=1S/C26H40N2/c1-18(7-6-16-27-4)22-10-11-23-21-9-8-19-17-20(28-5)12-14-25(19,2)24(21)13-15-26(22,23)3/h18-24H,6-17H2,1-3H3/t18-,19-,20-,21+,22-,23+,24+,25+,26-/m1/s1
SMILES: CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H]([C@@H](C2(C)C)CC1=O)OC(=O)C)OC(=O)/C=C/C4=CC=CC=C4)C)O)OC(=O)C
InChI: InChI=1S/C33H40O8/c1-18-24(36)17-23-29(39-20(3)34)28-19(2)25(41-26(37)14-13-22-11-9-8-10-12-22)15-16-33(28,7)31(38)30(40-21(4)35)27(18)32(23,5)6/h8-14,23,25,28-31,38H,2,15-17H2,1,3-7H3/b14-13+/t23-,25-,28-,29+,30+,31-,33+/m0/s1
SMILES: C[C@@H]1CC[C@H]2C(=C[C@H](C[C@]2(C)C(=O)O)O)[C@@]1(C)CC[C@](C)(C=C)O
InChI: InChI=1S/C20H32O4/c1-6-18(3,24)9-10-19(4)13(2)7-8-15-16(19)11-14(21)12-20(15,5)17(22)23/h6,11,13-15,21,24H,1,7-10,12H2,2-5H3,(H,22,23)/t13-,14-,15+,18+,19+,20+/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=C(C=C(C=C5)O)Cl)C(=O)N(C4=O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)Cl
InChI: InChI=1S/C29H19Cl3F6N2O5/c1-39-24(44)26(31)10-18-15(21(27(26,32)25(39)45)16-3-2-14(41)9-19(16)30)4-5-17-20(18)23(43)40(22(17)42)13-7-11(28(33,34)35)6-12(8-13)29(36,37)38/h2-4,6-9,17-18,20-21,41H,5,10H2,1H3/t17-,18+,20-,21+,26+,27-/m0/s1
SMILES: C[C@@H](C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)N3C(=O)[C@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C19H20N4O5/c1-11(23-17(25)12-6-2-3-7-13(12)18(23)26)19(27)28-10-22-16(24)14-8-4-5-9-15(14)20-21-22/h4-5,8-9,11-13H,2-3,6-7,10H2,1H3/t11-,12-,13-/m0/s1
SMILES: COC1=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)C6=CC=C(C=C6)NC7=CC=CC=C7)O
InChI: InChI=1S/C34H28BrCl2N3O6/c1-46-26-15-18(7-14-25(26)41)28-22-12-13-23-27(24(22)16-33(36)31(44)39(17-35)32(45)34(28,33)37)30(43)40(29(23)42)21-10-8-20(9-11-21)38-19-5-3-2-4-6-19/h2-12,14-15,23-24,27-28,38,41H,13,16-17H2,1H3/t23-,24+,27-,28-,33+,34-/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=S)NC2=CC=C(C=C2)C(C)C
InChI: InChI=1S/C19H30N4S2/c1-12(2)15-8-10-16(11-9-15)20-18(24)22-23-19(25)21-17-7-5-6-13(3)14(17)4/h8-14,17H,5-7H2,1-4H3,(H2,20,22,24)(H2,21,23,25)/t13-,14+,17-/m0/s1
SMILES: CCOC(=O)[C@H]([C@H]1C[C@H](CC[C@@H]1C(=C)C)C)P(=O)(OCC)OCC
InChI: InChI=1S/C18H33O5P/c1-7-21-18(19)17(24(20,22-8-2)23-9-3)16-12-14(6)10-11-15(16)13(4)5/h14-17H,4,7-12H2,1-3,5-6H3/t14-,15+,16-,17-/m0/s1
SMILES: C1=CC=C(C=C1)N[C@@H]2[C@H](OC3=CC=CC=C23)C4=CC=CC=C4O
InChI: InChI=1S/C20H17NO2/c22-17-12-6-4-10-15(17)20-19(21-14-8-2-1-3-9-14)16-11-5-7-13-18(16)23-20/h1-13,19-22H/t19-,20+/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC=C3[C@H]2CC[C@@H]4[C@@](C3)(CC[C@@H](C4(C)C)NC(=O)C5=CC=CC=C5)O)C)C)N(C)C
InChI: InChI=1S/C33H50N2O2/c1-22(35(6)7)25-16-19-32(5)26-13-14-27-30(2,3)28(34-29(36)23-11-9-8-10-12-23)17-20-33(27,37)21-24(26)15-18-31(25,32)4/h8-12,15,22,25-28,37H,13-14,16-21H2,1-7H3,(H,34,36)/t22-,25+,26+,27-,28-,31+,32-,33-/m0/s1
SMILES: C[C@@H](C/C=C/C(C)(C)O)[C@@H]1CC[C@]2([C@]1(CC[C@@]3([C@@H]2CC[C@@]4([C@H]3CCCO4)C(C)(C)O)C)C)C
InChI: InChI=1S/C30H52O3/c1-21(11-9-15-25(2,3)31)22-13-16-29(8)23-14-17-30(26(4,5)32)24(12-10-20-33-30)27(23,6)18-19-28(22,29)7/h9,15,21-24,31-32H,10-14,16-20H2,1-8H3/b15-9+/t21-,22-,23-,24-,27+,28-,29+,30+/m0/s1
SMILES: COC1=CC(=C(C=C1)O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)N(C4=O)C7=CC(=C(C=C7)C(=O)O)O
InChI: InChI=1S/C34H21Cl2F5N2O9/c1-52-12-3-7-18(44)16(9-12)21-13-5-6-15-20(29(47)42(28(15)46)11-2-4-14(30(48)49)19(45)8-11)17(13)10-33(35)31(50)43(32(51)34(21,33)36)27-25(40)23(38)22(37)24(39)26(27)41/h2-5,7-9,15,17,20-21,44-45H,6,10H2,1H3,(H,48,49)/t15-,17+,20-,21+,33+,34-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H]3[C@@H](C(=O)C=C3C2)[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C23H27NO9S/c1-13-5-7-18(8-6-13)34(29,30)24-10-17-9-20(28)22(19(17)11-24)23(33-16(4)27)21(32-15(3)26)12-31-14(2)25/h5-9,19,21-23H,10-12H2,1-4H3/t19-,21-,22+,23-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@H]([C@H]1[C@@H]([C@H]([C@](O1)(C#C)C(C#C)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C35H70O6Si4/c1-23-27(36)35(24-2)30(41-45(21,22)34(12,13)14)29(40-44(19,20)33(9,10)11)28(38-35)26(39-43(17,18)32(6,7)8)25-37-42(15,16)31(3,4)5/h1-2,26-30,36H,25H2,3-22H3/t26-,27?,28+,29+,30-,35+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]([C@H]([C@H]([C@@H]2C(=O)OCC3=CC=CC=C3)O)O)O
InChI: InChI=1S/C20H23NO7S/c1-13-7-9-15(10-8-13)29(26,27)21-11-16(22)18(23)19(24)17(21)20(25)28-12-14-5-3-2-4-6-14/h2-10,16-19,22-24H,11-12H2,1H3/t16-,17+,18+,19-/m0/s1
SMILES: C1[C@H]2[C@@H](SC3=CC=CC=C3N=C2C4=C(O1)C=CC(=C4)Cl)C5=CC=CS5
InChI: InChI=1S/C20H14ClNOS2/c21-12-7-8-16-13(10-12)19-14(11-23-16)20(18-6-3-9-24-18)25-17-5-2-1-4-15(17)22-19/h1-10,14,20H,11H2/t14-,20-/m1/s1
SMILES: CC(=C)[C@@H]1C[C@H]2[C@@H](C[C@@]1(C)C=C)OC(=O)C2=C
InChI: InChI=1S/C15H20O2/c1-6-15(5)8-13-11(7-12(15)9(2)3)10(4)14(16)17-13/h6,11-13H,1-2,4,7-8H2,3,5H3/t11-,12+,13-,15-/m1/s1
SMILES: CCN1[C@H]2[C@H](N(C(=O)N2C[NH+]3CCOCC3)CC)N(C1=O)C[NH+]4CCOCC4
InChI: InChI=1S/C18H32N6O4/c1-3-21-15-16(24(17(21)25)14-20-7-11-28-12-8-20)22(4-2)18(26)23(15)13-19-5-9-27-10-6-19/h15-16H,3-14H2,1-2H3/p+2/t15-,16-/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2CC(=O)OCC3=NC(=NC(=N3)N)N
InChI: InChI=1S/C13H19N5O2/c14-12-16-10(17-13(15)18-12)6-20-11(19)5-9-4-7-1-2-8(9)3-7/h7-9H,1-6H2,(H4,14,15,16,17,18)/t7-,8+,9+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)CN(C)CC2=CC=C(C=C2)SC
InChI: InChI=1S/C19H30N2OS/c1-14-6-5-7-18(15(14)2)20-19(22)13-21(3)12-16-8-10-17(23-4)11-9-16/h8-11,14-15,18H,5-7,12-13H2,1-4H3,(H,20,22)/t14-,15+,18-/m0/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@@H]3CO[C@@H]([C@@H]([C@H]3O)O)O)O)O)O
InChI: InChI=1S/C15H26O13/c16-4-1-25-14(11(21)7(4)17)28-6-3-26-15(12(22)9(6)19)27-5-2-24-13(23)10(20)8(5)18/h4-23H,1-3H2/t4-,5-,6-,7+,8+,9+,10-,11-,12-,13+,14+,15+/m1/s1
SMILES: CC1=C(C2=C(N1COCC3=CC=CC=C3)C(=NC=N2)OC)[C@H]4[C@H]5[C@@H]([C@H](N4C(=O)OC(C)(C)C)CO[Si](C)(C)C(C)(C)C)OC(O5)(C)C
InChI: InChI=1S/C35H52N4O7Si/c1-22-25(26-28(31(41-10)37-20-36-26)38(22)21-42-18-23-16-14-13-15-17-23)27-30-29(44-35(8,9)45-30)24(19-43-47(11,12)34(5,6)7)39(27)32(40)46-33(2,3)4/h13-17,20,24,27,29-30H,18-19,21H2,1-12H3/t24-,27+,29-,30+/m1/s1
SMILES: CC1=CC2=C(C=C1)N(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CN)O
InChI: InChI=1S/C14H17N3O4/c1-7-2-3-9-8(4-7)13(19)16-14(20)17(9)12-5-10(18)11(6-15)21-12/h2-4,10-12,18H,5-6,15H2,1H3,(H,16,19,20)/t10-,11+,12+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=S)NNC(=S)NC2=CC=CC(=C2C)C
InChI: InChI=1S/C18H28N4S2/c1-11-7-5-9-15(13(11)3)19-17(23)21-22-18(24)20-16-10-6-8-12(2)14(16)4/h5,7,9,12,14,16H,6,8,10H2,1-4H3,(H2,19,21,23)(H2,20,22,24)/t12-,14-,16+/m0/s1
SMILES: C/C=C(/C)\C(=O)O[C@H]1CC[C@@]2(C[C@]3(C(=C(C(=O)O3)C)[C@H]([C@@]2([C@H]1C)C)OC(=O)/C(=C\C)/C)O)O
InChI: InChI=1S/C25H34O8/c1-8-13(3)20(26)31-17-10-11-24(29)12-25(30)18(15(5)22(28)33-25)19(23(24,7)16(17)6)32-21(27)14(4)9-2/h8-9,16-17,19,29-30H,10-12H2,1-7H3/b13-8-,14-9-/t16-,17-,19+,23-,24-,25-/m0/s1
SMILES: CCCCCCCCCCCCP1(=O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H]([C@@H]2O1)O)O)O)O
InChI: InChI=1S/C18H35O7P/c1-2-3-4-5-6-7-8-9-10-11-12-26(23)24-17-15(21)13(19)14(20)16(22)18(17)25-26/h13-22H,2-12H2,1H3/t13-,14-,15+,16+,17-,18+,26?/m0/s1
SMILES: CC(C)(C)N1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@]4(C(=O)N(C(=O)[C@]4([C@H]3C5=CC=CC=C5OCCO)Cl)C)Cl
InChI: InChI=1S/C27H30Cl2N2O6/c1-25(2,3)31-21(33)16-10-9-14-17(19(16)22(31)34)13-26(28)23(35)30(4)24(36)27(26,29)20(14)15-7-5-6-8-18(15)37-12-11-32/h5-9,16-17,19-20,32H,10-13H2,1-4H3/t16-,17+,19-,20+,26+,27-/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC3=CC=CC=C3)C[C@@H](CO)O)O)C4=C(C=C(C[C@H](CC1)O)C=C4)C(=O)C5=CC6=CC=CC=C6S5)C
InChI: InChI=1S/C41H49NO5S/c1-28-9-8-19-40(2)36(18-20-41(40,47)27-42(25-33(45)26-43)24-29-10-4-3-5-11-29)34-17-15-30(21-32(44)16-14-28)22-35(34)39(46)38-23-31-12-6-7-13-37(31)48-38/h3-7,9-13,15,17,22-23,32-33,36,43-45,47H,8,14,16,18-21,24-27H2,1-2H3/t32-,33-,36-,40-,41+/m0/s1
SMILES: CCCN1C(=O)NN=C1SCC(=O)O[C@@H]2C[C@H](CC[C@H]2C(C)C)C
InChI: InChI=1S/C17H29N3O3S/c1-5-8-20-16(22)18-19-17(20)24-10-15(21)23-14-9-12(4)6-7-13(14)11(2)3/h11-14H,5-10H2,1-4H3,(H,18,22)/t12-,13-,14+/m0/s1
SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)[C@H]3C[C@@H]3C4=CC=CC=C4
InChI: InChI=1S/C21H23NO3S/c1-2-25-21(24)18-14-10-6-7-11-17(14)26-20(18)22-19(23)16-12-15(16)13-8-4-3-5-9-13/h3-5,8-9,15-16H,2,6-7,10-12H2,1H3,(H,22,23)/t15-,16+/m1/s1