EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@]2(C[C@@H]2C=C)C(=O)NS(=O)(=O)C3(CC3)CC4=CC=CC=N4)OC5=CC(=NC6=C5C=CC(=C6)OC)C7=CC=CC=C7)NC(=O)OC(C)(C)C
InChI: InChI=1S/C47H56N6O9S/c1-9-30-26-47(30,42(56)52-63(58,59)46(20-21-46)27-31-17-13-14-22-48-31)51-40(54)37-24-33(28-53(37)41(55)39(44(2,3)4)50-43(57)62-45(5,6)7)61-38-25-35(29-15-11-10-12-16-29)49-36-23-32(60-8)18-19-34(36)38/h9-19,22-23,25,30,33,37,39H,1,20-21,24,26-28H2,2-8H3,(H,50,57)(H,51,54)(H,52,56)/t30-,33+,37-,39+,47-/m0/s1
SMILES: CCC(=O)O[C@@]1(C(=C)C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C(=O)F
InChI: InChI=1S/C24H28F2O5/c1-5-19(29)31-24(20(25)30)13(2)10-17-16-7-6-14-11-15(27)8-9-21(14,3)23(16,26)18(28)12-22(17,24)4/h8-9,11,16-18,28H,2,5-7,10,12H2,1,3-4H3/t16-,17-,18-,21-,22-,23-,24-/m0/s1
SMILES: C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CCC2[C@](C)([C@@H](CCC(C)(C)F)O)O)O
InChI: InChI=1S/C27H43FO6/c1-23(2,28)9-8-22(32)26(5,33)21-7-11-27(34)16-12-18(29)17-13-19(30)20(31)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,30-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21?,22+,24+,25+,26+,27+/m0/s1
SMILES: CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]4(CCCCC4)C)C)CC[C@]5([C@H]3C[C@@H]([C@H]5OC(=O)C)[N+]6(CCCCC6)C)C
InChI: InChI=1S/C35H60N2O4/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36/h26-33H,7-23H2,1-6H3/q+2/t26-,27+,28-,29-,30-,31-,32-,33+,34-,35-/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)CSC2=CC=CC=C2
InChI: InChI=1S/C19H27NO3S/c1-13-8-7-11-17(14(13)2)20-19(22)15(3)23-18(21)12-24-16-9-5-4-6-10-16/h4-6,9-10,13-15,17H,7-8,11-12H2,1-3H3,(H,20,22)/t13-,14-,15-,17-/m1/s1
SMILES: CCNC(=O)C1=CC=C(C=C1)C2=CC(=CC=C2)[C@H]3CCNC[C@@H]3C(=O)N(CC4=CN(C5=CC=CC=C54)CCCOC)C6CC6
InChI: InChI=1S/C37H44N4O3/c1-3-39-36(42)27-14-12-26(13-15-27)28-8-6-9-29(22-28)32-18-19-38-23-34(32)37(43)41(31-16-17-31)25-30-24-40(20-7-21-44-2)35-11-5-4-10-33(30)35/h4-6,8-15,22,24,31-32,34,38H,3,7,16-21,23,25H2,1-2H3,(H,39,42)/t32-,34+/m1/s1
SMILES: CCC[C@@](C)([C@@H]([C@@H]1C[C@H](C[C@H]1N=C(N)N)C(=O)OC)NC(=O)C)OC
InChI: InChI=1S/C17H32N4O4/c1-6-7-17(3,25-5)14(20-10(2)22)12-8-11(15(23)24-4)9-13(12)21-16(18)19/h11-14H,6-9H2,1-5H3,(H,20,22)(H4,18,19,21)/t11-,12-,13-,14-,17+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=S)NNC(=O)COC2=CC(=C(C=C2)C)C
InChI: InChI=1S/C19H29N3O2S/c1-12-8-9-16(10-14(12)3)24-11-18(23)21-22-19(25)20-17-7-5-6-13(2)15(17)4/h8-10,13,15,17H,5-7,11H2,1-4H3,(H,21,23)(H2,20,22,25)/t13-,15-,17+/m0/s1
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]3C=CC[C@@]45[C@@H]3[C@H]2C=C(C4=CC(=O)CC5)Cl)C)OC(=O)C
InChI: InChI=1S/C25H29ClO4/c1-14(27)25(30-15(2)28)10-7-19-18-12-21(26)20-11-17(29)6-9-24(20)8-4-5-16(22(18)24)13-23(19,25)3/h4-5,11-12,16,18-19,22H,6-10,13H2,1-3H3/t16-,18-,19-,22-,23-,24-,25-/m0/s1
SMILES: CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N[C@H]3CCCC[C@@H]3C
InChI: InChI=1S/C21H33N3O4S/c1-3-28-18-8-10-19(11-9-18)29(26,27)24-14-12-23(13-15-24)16-21(25)22-20-7-5-4-6-17(20)2/h8-11,17,20H,3-7,12-16H2,1-2H3,(H,22,25)/p+1/t17-,20-/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)C)C)C
InChI: InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23+,24-,25-,26+,27-,28+,29-/m1/s1
SMILES: C[C@@H]1C[C@@H](C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)/C1)O
InChI: InChI=1S/C28H46O2/c1-19-17-23(21(3)26(29)18-19)12-11-22-10-8-16-28(6)24(13-14-25(22)28)20(2)9-7-15-27(4,5)30/h11-12,19-20,24-26,29-30H,3,7-10,13-18H2,1-2,4-6H3/b22-11+,23-12-/t19-,20+,24+,25-,26-,28+/m0/s1
SMILES: C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)C/C=C/3\CC(CC3=O)O)CCCC2=C)C
InChI: InChI=1S/C21H32O2/c1-14-6-5-7-19-20(14,3)10-8-15(2)21(19,4)11-9-16-12-17(22)13-18(16)23/h9,15,17,19,22H,1,5-8,10-13H2,2-4H3/b16-9+/t15-,17?,19+,20+,21+/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[C@@]2([C@H](O2)COCC3=CC=CC=C3)C[C@@H]4[C@H](CCCO4)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C29H42O6SSi/c1-22-14-16-24(17-15-22)36(30,31)29(27(34-29)21-32-20-23-11-8-7-9-12-23)19-26-25(13-10-18-33-26)35-37(5,6)28(2,3)4/h7-9,11-12,14-17,25-27H,10,13,18-21H2,1-6H3/t25-,26+,27+,29+/m0/s1
SMILES: C1[C@@H](C(=NN1)C(=O)[C@H]2[C@@H](O2)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C18H16N2O2/c21-16(18-17(22-18)13-9-5-2-6-10-13)15-14(11-19-20-15)12-7-3-1-4-8-12/h1-10,14,17-19H,11H2/t14-,17+,18+/m1/s1
SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)[C@@H](/C=C/CC/C=C\CCCCCCCCC)OC(=O)C2=CC=CC=C2
InChI: InChI=1S/C55H87NO13/c1-7-9-11-13-15-17-19-21-23-25-27-29-34-38-48(68-54(62)46-36-32-31-33-37-46)47(56-50(61)39-35-30-28-26-24-22-20-18-16-14-12-10-8-2)40-64-55-53(67-45(6)60)52(66-44(5)59)51(65-43(4)58)49(69-55)41-63-42(3)57/h23,25,31-34,36-38,47-49,51-53,55H,7-22,24,26-30,35,39-41H2,1-6H3,(H,56,61)/b25-23-,38-34+/t47-,48+,49+,51+,52-,53+,55+/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)CCNC4=C(C=C(C=N4)C(F)(F)F)Cl
InChI: InChI=1S/C17H15ClF3N3O2/c18-11-6-10(17(19,20)21)7-23-14(11)22-3-4-24-15(25)12-8-1-2-9(5-8)13(12)16(24)26/h1-2,6-9,12-13H,3-5H2,(H,22,23)/t8-,9+,12+,13-
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H](C4=CC(=O)CC[C@]34C)OC(=O)C)C
InChI: InChI=1S/C23H32O5/c1-13(24)27-20-12-16-17-5-6-21(28-14(2)25)23(17,4)10-8-18(16)22(3)9-7-15(26)11-19(20)22/h11,16-18,20-21H,5-10,12H2,1-4H3/t16-,17-,18-,20+,21-,22+,23-/m0/s1
SMILES: CC1([C@H]([C@H]1C(=O)OCC2=C(C(=C(C(=N2)F)F)F)F)C=C(Cl)Cl)C
InChI: InChI=1S/C14H11Cl2F4NO2/c1-14(2)5(3-7(15)16)8(14)13(22)23-4-6-9(17)10(18)11(19)12(20)21-6/h3,5,8H,4H2,1-2H3/t5-,8-/m0/s1
SMILES: C[C@@]1(C[C@H]([C@H](N1)C2=CC=CC=C2)C(=O)OC)C(=O)OC
InChI: InChI=1S/C15H19NO4/c1-15(14(18)20-3)9-11(13(17)19-2)12(16-15)10-7-5-4-6-8-10/h4-8,11-12,16H,9H2,1-3H3/t11-,12-,15-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1[C@@H]2CC[C@]3([C@H]1C(OC3)O)O2
InChI: InChI=1S/C15H28O4Si/c1-14(2,3)20(4,5)18-8-10-11-6-7-15(19-11)9-17-13(16)12(10)15/h10-13,16H,6-9H2,1-5H3/t10-,11-,12+,13?,15-/m0/s1
SMILES: COC1=CC(=C2CN(CC[C@]34C2=C1O[C@H]3C[C@H](C=C4)O)CCCN5CCCCC5)Br
InChI: InChI=1S/C24H33BrN2O3/c1-29-20-15-19(25)18-16-27(12-5-11-26-9-3-2-4-10-26)13-8-24-7-6-17(28)14-21(24)30-23(20)22(18)24/h6-7,15,17,21,28H,2-5,8-14,16H2,1H3/t17-,21-,24-/m0/s1
SMILES: C[C@@]12CC[C@]3(CC[C@H]([C@@H]3[C@H]1CC[C@H]4[C@]2(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C(=C)CN)C(=O)NCCCCCCCCCCC(=O)O
InChI: InChI=1S/C41H70N2O4/c1-28(27-42)29-18-23-41(36(47)43-26-14-12-10-8-7-9-11-13-15-34(45)46)25-24-39(5)30(35(29)41)16-17-32-38(4)21-20-33(44)37(2,3)31(38)19-22-40(32,39)6/h29-33,35,44H,1,7-27,42H2,2-6H3,(H,43,47)(H,45,46)/t29-,30+,31-,32+,33-,35+,38-,39+,40+,41-/m0/s1
SMILES: CC(=O)O[C@H]1C[C@H](OC[C@H]1OC(=O)C)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4
InChI: InChI=1S/C21H21N5O6/c1-12(27)31-15-8-17(30-9-16(15)32-13(2)28)26-11-24-18-19(22-10-23-20(18)26)25-21(29)14-6-4-3-5-7-14/h3-7,10-11,15-17H,8-9H2,1-2H3,(H,22,23,25,29)/t15-,16+,17-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@@]23CO[C@@H]2[C@@H]([C@H](O3)CO)O
InChI: InChI=1S/C11H14N2O6/c1-5-2-13(10(17)12-9(5)16)11-4-18-8(11)7(15)6(3-14)19-11/h2,6-8,14-15H,3-4H2,1H3,(H,12,16,17)/t6-,7-,8-,11-/m1/s1
SMILES: CCC1(OC[C@@H](O1)[C@H]([C@@H]2[C@@H]([C@H](C(=O)O2)OC)C)Br)CC
InChI: InChI=1S/C14H23BrO5/c1-5-14(6-2)18-7-9(20-14)10(15)11-8(3)12(17-4)13(16)19-11/h8-12H,5-7H2,1-4H3/t8-,9+,10+,11-,12+/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)OC(=O)CCC#CC#CC4=CC=CC=C4)O
InChI: InChI=1S/C27H26O7/c1-30-27-23(29)25(24-21(32-27)18-31-26(34-24)20-15-9-5-10-16-20)33-22(28)17-11-3-2-6-12-19-13-7-4-8-14-19/h4-5,7-10,13-16,21,23-27,29H,11,17-18H2,1H3/t21-,23-,24-,25-,26-,27+/m1/s1
SMILES: CC1=CC(=C(C2=C1C(=O)C=C(O2)C[C@@H](C)O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)/C=C/C4=CC=CC=C4)OC
InChI: InChI=1S/C29H32O10/c1-15-11-20(36-3)24(27-23(15)19(32)13-18(37-27)12-16(2)31)28-29(26(35)25(34)21(14-30)38-28)39-22(33)10-9-17-7-5-4-6-8-17/h4-11,13,16,21,25-26,28-31,34-35H,12,14H2,1-3H3/b10-9+/t16-,21-,25-,26+,28+,29-/m1/s1
SMILES: CCO[C@@]12C[C@@H]3[C@@]4(CC[C@@H]([C@@H]([C@@H]4[C@H]1[C@@]3(C[C@H](C)COCC5=CC=CC=C5)O)O2)C(C)C)C
InChI: InChI=1S/C28H42O4/c1-6-31-28-15-22-26(5)13-12-21(18(2)3)24(32-28)23(26)25(28)27(22,29)14-19(4)16-30-17-20-10-8-7-9-11-20/h7-11,18-19,21-25,29H,6,12-17H2,1-5H3/t19-,21+,22+,23+,24-,25-,26-,27-,28+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)N[C@@H]3C[C@H]4CC[C@@H]3C4
InChI: InChI=1S/C19H27N3O2S2/c1-14-2-6-17(7-3-14)26(23,24)22-10-8-21(9-11-22)19(25)20-18-13-15-4-5-16(18)12-15/h2-3,6-7,15-16,18H,4-5,8-13H2,1H3,(H,20,25)/t15-,16+,18+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]24CCCO4)[C@H]5[C@H](O5)C6=CC(=O)C=C[C@]36C
InChI: InChI=1S/C22H28O3/c1-20-8-4-13(23)12-16(20)18-19(25-18)17-14(20)5-9-21(2)15(17)6-10-22(21)7-3-11-24-22/h4,8,12,14-15,17-19H,3,5-7,9-11H2,1-2H3/t14-,15-,17+,18+,19-,20+,21-,22-/m0/s1
SMILES: COC1=CC=CC=C1N2C(=O)[C@H]3[C@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)O
InChI: InChI=1S/C24H20N2O5/c1-30-19-10-6-5-9-18(19)25-23(28)20-21(15-11-13-17(27)14-12-15)26(31-22(20)24(25)29)16-7-3-2-4-8-16/h2-14,20-22,27H,1H3/t20-,21+,22+/m0/s1
SMILES: C[C@]12CCC3C(C1CC[C@@H]2COS(=O)(=O)O)CC=C4[C@@]3(CC[C@@H](C4)O)C.[Na]
InChI: InChI=1S/C20H32O5S.Na/c1-19-9-7-15(21)11-13(19)3-5-16-17-6-4-14(12-25-26(22,23)24)20(17,2)10-8-18(16)19;/h3,14-18,21H,4-12H2,1-2H3,(H,22,23,24);/t14-,15+,16?,17?,18?,19+,20-;/m1./s1
SMILES: C[C@H]1CCC[C@@H]1OC(=O)N[C@@H](C2CC3=CC=CC=C3C2)C(=O)N4C[C@H]5[C@@H]([C@H]4C(=O)NC(CC6CC6)C(=O)C(=O)NC)C5(C)C
InChI: InChI=1S/C34H46N4O6/c1-18-8-7-11-25(18)44-33(43)37-27(22-15-20-9-5-6-10-21(20)16-22)32(42)38-17-23-26(34(23,2)3)28(38)30(40)36-24(14-19-12-13-19)29(39)31(41)35-4/h5-6,9-10,18-19,22-28H,7-8,11-17H2,1-4H3,(H,35,41)(H,36,40)(H,37,43)/t18-,23-,24?,25-,26-,27-,28-/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@H](/C(=C(/C)\Br)/O[C@H]3[C@@]24[C@H]1CC[C@@](O3)(OO4)C)C
InChI: InChI=1S/C17H25BrO4/c1-9-5-6-13-10(2)14(11(3)18)19-15-17(13)12(9)7-8-16(4,20-15)21-22-17/h9-10,12-13,15H,5-8H2,1-4H3/b14-11+/t9-,10-,12+,13+,15-,16+,17-/m1/s1
SMILES: C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@@]6([C@H]5CC4=C3C)C)C)NC1
InChI: InChI=1S/C27H39NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h12,15,17,20-21,23-25,28H,5-11,13-14H2,1-4H3/t15-,17+,20-,21-,23-,24+,25-,26-,27-/m0/s1
SMILES: COC1=C2C(=C(C=C1)Cl)[C@@H]3C=CC[C@@H]3[C@@H](N2)C4=CC=CC5=CC=CC=C54
InChI: InChI=1S/C23H20ClNO/c1-26-20-13-12-19(24)21-16-9-5-11-18(16)22(25-23(20)21)17-10-4-7-14-6-2-3-8-15(14)17/h2-10,12-13,16,18,22,25H,11H2,1H3/t16-,18+,22+/m1/s1
SMILES: C[C@H]1[C@@H]2[C@@H](C[C@@]([C@@H]3CC(=O)C(=C3[C@H]2OC1=O)C)(C)O)OC(=O)C(C)C
InChI: InChI=1S/C19H26O6/c1-8(2)17(21)24-13-7-19(5,23)11-6-12(20)9(3)14(11)16-15(13)10(4)18(22)25-16/h8,10-11,13,15-16,23H,6-7H2,1-5H3/t10-,11+,13+,15+,16+,19+/m0/s1
SMILES: CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4C(=O)C6=C[C@H](C[C@H](O6)OCCCCO)C(C)C)OC)OC)OC)OC
InChI: InChI=1S/C42H60N2O8/c1-8-27-25-43-13-11-28-19-36(47-4)38(49-6)23-32(28)34(43)17-31(27)18-35-33-24-39(50-7)37(48-5)20-29(33)12-14-44(35)42(46)40-21-30(26(2)3)22-41(52-40)51-16-10-9-15-45/h19-21,23-24,26-27,30-31,34-35,41,45H,8-18,22,25H2,1-7H3/t27-,30+,31+,34-,35+,41-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@]34[C@H](O2)CNC3=CS(=O)(=O)O4)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C18H27N3O7SSi/c1-10-8-21(16(23)20-14(10)22)15-13(27-30(5,6)17(2,3)4)18-11(9-29(24,25)28-18)19-7-12(18)26-15/h8-9,12-13,15,19H,7H2,1-6H3,(H,20,22,23)/t12-,13+,15-,18-/m1/s1
SMILES: B([C@@H]1[C@H](CC[C@@H]2[C@H]1C2(C)C)C)([C@@H]3[C@H](CC[C@@H]4[C@H]3C4(C)C)C)OCCN
InChI: InChI=1S/C22H40BNO/c1-13-7-9-15-17(21(15,3)4)19(13)23(25-12-11-24)20-14(2)8-10-16-18(20)22(16,5)6/h13-20H,7-12,24H2,1-6H3/t13-,14-,15+,16+,17+,18+,19+,20+/m0/s1
SMILES: CCCCCCC1(OCCO1)CCCCCC/C=C/[C@H]2[C@@H](OC(O2)(C)C)[C@H]3[C@@](COC(O3)(C)C)(C(=O)O)NC(=O)OC(C)(C)C
InChI: InChI=1S/C34H59NO10/c1-9-10-11-17-20-33(39-22-23-40-33)21-18-15-13-12-14-16-19-25-26(43-32(7,8)42-25)27-34(28(36)37,24-41-31(5,6)44-27)35-29(38)45-30(2,3)4/h16,19,25-27H,9-15,17-18,20-24H2,1-8H3,(H,35,38)(H,36,37)/b19-16+/t25-,26+,27-,34-/m0/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3[C@@H](CC4=O)O)C
InChI: InChI=1S/C19H26O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)16(22)10-15(21)17(13)19/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14+,15-,17-,18+,19-/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=C3C=CC(=C4)OC
InChI: InChI=1S/C19H26O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-18,20H,3,5,7-10H2,1-2H3/t15-,16+,17-,18+,19-/m0/s1
SMILES: C[C@]12CC=C3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@@]43CCSSC
InChI: InChI=1S/C21H28O2S2/c1-20-9-8-18-16(17(20)5-6-19(20)23)4-3-14-13-15(22)7-10-21(14,18)11-12-25-24-2/h8,13,16-17H,3-7,9-12H2,1-2H3/t16-,17-,20-,21+/m0/s1
SMILES: CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1C([C@H](C=C2)C)CCC3C[C@H](CC(=O)O3)O
InChI: InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18?,19?,20-,22-/m0/s1
SMILES: CCC1=C[C@H]2C[C@@]([C@@H]1N(C2)C(=O)OCC3=CC=CC=C3)(C4=CC5=CC=CC=C5N4S(=O)(=O)C6=CC=CC=C6)C(=O)OC
InChI: InChI=1S/C33H32N2O6S/c1-3-25-18-24-20-33(31(36)40-2,30(25)34(21-24)32(37)41-22-23-12-6-4-7-13-23)29-19-26-14-10-11-17-28(26)35(29)42(38,39)27-15-8-5-9-16-27/h4-19,24,30H,3,20-22H2,1-2H3/t24-,30+,33-/m0/s1
SMILES: CC(C)(C)OC(=O)N1[C@H](C[C@@H]2[C@]1(C2)/C=C/C(=O)OC)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C
InChI: InChI=1S/C31H41NO5Si/c1-29(2,3)37-28(34)32-24(20-23-21-31(23,32)19-18-27(33)35-7)22-36-38(30(4,5)6,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-19,23-24H,20-22H2,1-7H3/b19-18+/t23-,24+,31+/m0/s1
SMILES: C1[C@H]([C@@H](N[C@@H]1C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)P(=O)(O)O)CCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O
InChI: InChI=1S/C30H29N4O8P/c35-26(32-24(30(38)39)14-18-15-31-22-10-2-1-7-19(18)22)23-13-17(27(33-23)43(40,41)42)11-12-34-28(36)20-8-3-5-16-6-4-9-21(25(16)20)29(34)37/h1-10,15,17,23-24,27,31,33H,11-14H2,(H,32,35)(H,38,39)(H2,40,41,42)/t17-,23+,24+,27+/m1/s1
SMILES: CCOC(=O)[C@@]([C@H]1C(=O)O[C@]2([C@H]3C[C@H](C3(C)C)CC2=N1)C)(C(C)C)O
InChI: InChI=1S/C19H29NO5/c1-7-24-16(22)19(23,10(2)3)14-15(21)25-18(6)12-8-11(17(12,4)5)9-13(18)20-14/h10-12,14,23H,7-9H2,1-6H3/t11-,12-,14+,18-,19-/m0/s1
SMILES: CC1(COC(=O)[C@@H]1OC(=O)C=CC2=CC=C(C=C2)CN3[C@H]4C(=O)O[C@@H]5C[C@]4([C@H](O3)[C@@H]6[C@H]5OC7(O6)CC8=CC=CC=C8C7)C(=O)N9CCC[C@@H]9C(=O)NCCO)C
InChI: InChI=1S/C41H45N3O12/c1-39(2)22-51-37(49)34(39)53-29(46)14-13-23-9-11-24(12-10-23)21-44-32-36(48)52-28-20-41(32,38(50)43-16-5-8-27(43)35(47)42-15-17-45)33(56-44)31-30(28)54-40(55-31)18-25-6-3-4-7-26(25)19-40/h3-4,6-7,9-14,27-28,30-34,45H,5,8,15-22H2,1-2H3,(H,42,47)/t27-,28-,30+,31+,32+,33-,34+,41+/m1/s1
SMILES: CC1=C([C@H]2[C@H]3C[C@@H]1C(=O)[C@@]2(OC3)OC)OC(=O)C
InChI: InChI=1S/C13H16O5/c1-6-9-4-8-5-17-13(16-3,12(9)15)10(8)11(6)18-7(2)14/h8-10H,4-5H2,1-3H3/t8-,9-,10+,13+/m0/s1
SMILES: CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)[C@@H]3C[C@H]4CC[C@@H]3C4
InChI: InChI=1S/C19H28N2/c1-15-3-2-4-17(11-15)14-20-7-9-21(10-8-20)19-13-16-5-6-18(19)12-16/h2-4,11,16,18-19H,5-10,12-14H2,1H3/p+2/t16-,18+,19+/m0/s1
SMILES: CC(C)C(=O)N=C1N([C@H]2CS(=O)(=O)C[C@H]2S1)C3=CC(=CC(=C3)Cl)Cl
InChI: InChI=1S/C15H16Cl2N2O3S2/c1-8(2)14(20)18-15-19(11-4-9(16)3-10(17)5-11)12-6-24(21,22)7-13(12)23-15/h3-5,8,12-13H,6-7H2,1-2H3/t12-,13+/m0/s1
SMILES: CC[C@@H]1[C@H]([C@H]2[C@@](O2)(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)CC=O)C)C)C
InChI: InChI=1S/C31H51NO9/c1-9-25-20(5)29-31(6,41-29)12-10-23(34)17(2)14-21(11-13-33)28(19(4)24(35)16-26(36)39-25)40-30-27(37)22(32(7)8)15-18(3)38-30/h10,12-13,17-22,24-25,27-30,35,37H,9,11,14-16H2,1-8H3/b12-10+/t17-,18-,19+,20-,21+,22+,24-,25-,27-,28-,29+,30+,31+/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)N(CCCOC)C[C@@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@]35C=C[C@@]6([C@@]4(CCC(C6)O)C)C=C5C(=O)C7=CC=C(S7)C)C)O)C(C)C
InChI: InChI=1S/C43H63NO6S/c1-27(2)31-11-9-28(3)23-33(31)50-38(47)44(21-8-22-49-7)26-42(48)18-15-36-40(42,6)17-14-35-39(5)16-13-30(45)24-41(39)19-20-43(35,36)32(25-41)37(46)34-12-10-29(4)51-34/h10,12,19-20,25,27-28,30-31,33,35-36,45,48H,8-9,11,13-18,21-24,26H2,1-7H3/t28-,30?,31+,33-,35+,36+,39+,40-,41-,42+,43+/m0/s1
SMILES: CC(=O)N(CC1=CC=CC=C1)[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O)CO)O)O
InChI: InChI=1S/C15H21NO6/c1-9(18)16(7-10-5-3-2-4-6-10)12-14(20)13(19)11(8-17)22-15(12)21/h2-6,11-15,17,19-21H,7-8H2,1H3/t11-,12-,13+,14-,15-/m1/s1
SMILES: CCOC(=O)C1=COC(=N1)C#C/C=C/[C@H]2[C@@H](OC(O2)(C)C)C=O
InChI: InChI=1S/C16H17NO6/c1-4-20-15(19)11-10-21-14(17-11)8-6-5-7-12-13(9-18)23-16(2,3)22-12/h5,7,9-10,12-13H,4H2,1-3H3/b7-5+/t12-,13-/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)OC3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C17H18N2O6/c20-15(25-12-7-5-11(6-8-12)19(23)24)9-10-18-16(21)13-3-1-2-4-14(13)17(18)22/h5-8,13-14H,1-4,9-10H2/t13-,14-/m0/s1
SMILES: C/C(=C\[C@H]1[C@@H](CC2=CNC3=CC=CC1=C23)NC)/CO[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C22H30N2O6/c1-11(10-29-22-21(28)20(27)19(26)17(9-25)30-22)6-14-13-4-3-5-15-18(13)12(8-24-15)7-16(14)23-2/h3-6,8,14,16-17,19-28H,7,9-10H2,1-2H3/b11-6+/t14-,16-,17-,19-,20+,21-,22+/m1/s1
SMILES: CC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)N3CCC[C@H]4[C@@H]3CCCC4
InChI: InChI=1S/C22H27NO4/c1-15-8-9-18-17(13-26-20(18)11-15)12-22(25)27-14-21(24)23-10-4-6-16-5-2-3-7-19(16)23/h8-9,11,13,16,19H,2-7,10,12,14H2,1H3/t16-,19-/m0/s1
SMILES: CC[Si](CC)(CC)O[C@@H]1C[C@@H]2C[C@H]([C@H]1C2)COS(=O)(=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C21H34O4SSi/c1-5-27(6-2,7-3)25-21-14-17-12-18(20(21)13-17)15-24-26(22,23)19-10-8-16(4)9-11-19/h8-11,17-18,20-21H,5-7,12-15H2,1-4H3/t17-,18+,20-,21-/m1/s1
SMILES: COC(=O)CCC1=CC=CC=C1C[C@H]2[C@@H]3CC[C@H]([C@H]2C4=NC(=CO4)C(=S)NCCCCC5CCCCC5)O3
InChI: InChI=1S/C31H42N2O4S/c1-35-28(34)17-14-22-12-5-6-13-23(22)19-24-26-15-16-27(37-26)29(24)30-33-25(20-36-30)31(38)32-18-8-7-11-21-9-3-2-4-10-21/h5-6,12-13,20-21,24,26-27,29H,2-4,7-11,14-19H2,1H3,(H,32,38)/t24-,26-,27+,29-/m0/s1
SMILES: C1CC[C@@H]([C@@H](C1)C(=O)NC2=C(C=C(C=C2)Br)F)C(=O)[O-]
InChI: InChI=1S/C14H15BrFNO3/c15-8-5-6-12(11(16)7-8)17-13(18)9-3-1-2-4-10(9)14(19)20/h5-7,9-10H,1-4H2,(H,17,18)(H,19,20)/p-1/t9-,10+/m1/s1
SMILES: C[C@@H]1C[C@@H]1C(=O)OCC2=CC(=O)N3C4=C(CCCC4)SC3=N2
InChI: InChI=1S/C16H18N2O3S/c1-9-6-11(9)15(20)21-8-10-7-14(19)18-12-4-2-3-5-13(12)22-16(18)17-10/h7,9,11H,2-6,8H2,1H3/t9-,11+/m1/s1
SMILES: C1=NC2=C(N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)F)NC(=NC2=S)N
InChI: InChI=1S/C10H12FN5O3S/c11-4-6(18)3(1-17)19-9(4)16-2-13-5-7(16)14-10(12)15-8(5)20/h2-4,6,9,17-18H,1H2,(H3,12,14,15,20)/t3-,4+,6-,9-/m1/s1
SMILES: C1=C2C(=CC(=C1Cl)Cl)N(C=N2)[C@@H]3[C@H]([C@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C12H12Cl2N2O4/c13-5-1-7-8(2-6(5)14)16(4-15-7)12-11(19)10(18)9(3-17)20-12/h1-2,4,9-12,17-19H,3H2/t9-,10+,11+,12+/m1/s1
SMILES: COC1=CC=C(C=C1)CN2[C@@H]([C@]3(C[C@@H](O2)C=CC3=O)O)CCCCOCC4=CC=C(C=C4)OC
InChI: InChI=1S/C27H33NO6/c1-31-22-10-6-20(7-11-22)18-28-25(27(30)17-24(34-28)14-15-26(27)29)5-3-4-16-33-19-21-8-12-23(32-2)13-9-21/h6-15,24-25,30H,3-5,16-19H2,1-2H3/t24-,25+,27-/m0/s1
SMILES: COC(=O)N[C@@H]1CS[C@@H]([C@@H]1NC(=O)OC)CCCCC(=O)O
InChI: InChI=1S/C13H22N2O6S/c1-20-12(18)14-8-7-22-9(5-3-4-6-10(16)17)11(8)15-13(19)21-2/h8-9,11H,3-7H2,1-2H3,(H,14,18)(H,15,19)(H,16,17)/t8-,9-,11-/m1/s1
SMILES: C[C@@H]1C/C=C/C(=O)[C@@H](C[C@@H](C([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C
InChI: InChI=1S/C40H65NO15/c1-21(2)17-30(45)54-38-25(6)51-32(20-40(38,8)48)55-35-24(5)52-39(34(47)33(35)41(9)10)56-36-27(15-16-42)18-22(3)28(44)14-12-13-23(4)50-31(46)19-29(37(36)49-11)53-26(7)43/h12,14,16,21-25,27,29,32-39,47-48H,13,15,17-20H2,1-11H3/b14-12+/t22-,23-,24-,25+,27+,29-,32+,33-,34-,35-,36?,37+,38+,39+,40-/m1/s1
SMILES: C1=NC2=C(N=C(N=C2N1[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O)N)N
InChI: InChI=1S/C10H14N6O4/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H4,11,12,14,15)/t3-,5+,6-,9-/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=CC=CC=C5C4=O)O)(C(=O)C)O)N)O
InChI: InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16+,17-,21+,26+/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C([C@@H]3N2C4=CC=CC=C4C=C3)(C#N)C#N)C5=CC=CC6=CC=CC=C65
InChI: InChI=1S/C31H21N3O/c32-19-31(20-33)27-18-17-22-10-5-7-16-26(22)34(27)29(30(35)23-11-2-1-3-12-23)28(31)25-15-8-13-21-9-4-6-14-24(21)25/h1-18,27-29H/t27-,28+,29-/m1/s1
SMILES: CCO[C@H]1CN(C[C@@H]1NC(=O)C2=CC(=C(C=C2)C(F)(F)F)F)C(C3=CC=C(C=C3)C#N)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C28H24ClF4N3O2/c1-2-38-25-16-36(15-24(25)35-27(37)20-9-12-22(23(30)13-20)28(31,32)33)26(19-7-10-21(29)11-8-19)18-5-3-17(14-34)4-6-18/h3-13,24-26H,2,15-16H2,1H3,(H,35,37)/t24-,25-,26?/m0/s1
SMILES: CC(=C1[C@H]2CC[C@@H]1[C@@H]([C@@H]2C(=O)NCC3=CC=CS3)C(=O)[O-])C
InChI: InChI=1S/C17H21NO3S/c1-9(2)13-11-5-6-12(13)15(17(20)21)14(11)16(19)18-8-10-4-3-7-22-10/h3-4,7,11-12,14-15H,5-6,8H2,1-2H3,(H,18,19)(H,20,21)/p-1/t11-,12+,14-,15+/m1/s1
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5CC(=O)OC5=O)O)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C29H48O5Si/c1-26(2,3)35(6,7)34-19-10-13-27(4)18(16-19)8-9-23-22(27)11-14-28(5)21(12-15-29(23,28)32)20-17-24(30)33-25(20)31/h18-23,32H,8-17H2,1-7H3/t18-,19+,20?,21-,22+,23-,27+,28-,29+/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)CCCN2C(=O)C3=CN4CCS(=O)(=O)N=C4C=C3
InChI: InChI=1S/C17H23N3O3S/c21-17(20-9-3-5-13-4-1-2-6-15(13)20)14-7-8-16-18-24(22,23)11-10-19(16)12-14/h7-8,12-13,15H,1-6,9-11H2/t13-,15-/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@H]1C(CC(=C)[C@H]2COC3=CC4=C(C=C3)C=CC(=O)O4)(C)C)O
InChI: InChI=1S/C24H30O4/c1-15-13-23(2,3)21-11-17(25)9-10-24(21,4)19(15)14-27-18-7-5-16-6-8-22(26)28-20(16)12-18/h5-8,12,17,19,21,25H,1,9-11,13-14H2,2-4H3/t17-,19+,21-,24+/m0/s1
SMILES: CCSC1=NN2[C@@H]([C@H]3C(=O)CC(C=C3NC2=N1)(C)C)C4=CC(=C(C=C4)O)O
InChI: InChI=1S/C19H22N4O3S/c1-4-27-18-21-17-20-11-8-19(2,3)9-14(26)15(11)16(23(17)22-18)10-5-6-12(24)13(25)7-10/h5-8,15-16,24-25H,4,9H2,1-3H3,(H,20,21,22)/t15-,16-/m1/s1
SMILES: C1=CC=C2C3=CC(=CC=C3)[C@H]([C@H](C4=CC=C(C2=C1)C=C4)Br)Br
InChI: InChI=1S/C20H14Br2/c21-19-14-10-8-13(9-11-14)17-6-1-2-7-18(17)15-4-3-5-16(12-15)20(19)22/h1-12,19-20H/t19-,20+/m0/s1
SMILES: CCC(=O)[C@H]1[C@H](CC2CCC1N2)C3=CC=C(C=C3)/C=C(/C)\I
InChI: InChI=1S/C19H24INO/c1-3-18(22)19-16(11-15-8-9-17(19)21-15)14-6-4-13(5-7-14)10-12(2)20/h4-7,10,15-17,19,21H,3,8-9,11H2,1-2H3/b12-10-/t15?,16-,17?,19+/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H]([C@@H]([C@@H](N1)C2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-])C3=CC=C(C=C3)OC
InChI: InChI=1S/C20H20Cl2N2O5/c1-3-29-20(25)18-16(11-4-7-13(28-2)8-5-11)19(24(26)27)17(23-18)14-9-6-12(21)10-15(14)22/h4-10,16-19,23H,3H2,1-2H3/t16-,17+,18+,19+/m1/s1
SMILES: CC[NH+](CC)[C@@H]1[C@@H](C2=C(C=CC(=C2)C)NC1=O)C3=CC=CC=C3
InChI: InChI=1S/C20H24N2O/c1-4-22(5-2)19-18(15-9-7-6-8-10-15)16-13-14(3)11-12-17(16)21-20(19)23/h6-13,18-19H,4-5H2,1-3H3,(H,21,23)/p+1/t18-,19-/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@@H](C(=O)N(C2=O)C(C)(C)C)[C@@]3([NH2+]1)C4=C(C=CC(=C4)Br)NC3=O
InChI: InChI=1S/C18H20BrN3O3/c1-8-12-13(15(24)22(14(12)23)17(2,3)4)18(21-8)10-7-9(19)5-6-11(10)20-16(18)25/h5-8,12-13,21H,1-4H3,(H,20,25)/p+1/t8-,12-,13+,18+/m1/s1
SMILES: COC(=O)C(CC#CC1=CC2=C(C=C1)N(C(=O)[C@@]23[C@H]([C@@H]4C(=O)O[C@H]([C@H](N4[C@H]3C5=CC=C(C=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N8CCCCCCC8)C(=O)OCC9=CC=C(C=C9)[N+](=O)[O-])C(=O)OC
InChI: InChI=1S/C58H56N4O14/c1-72-53(65)44(54(66)73-2)20-14-15-37-23-30-46-45(35-37)58(56(68)60(46)57(69)75-36-38-21-26-42(27-22-38)62(70)71)47(52(64)59-31-12-4-3-5-13-32-59)49-55(67)76-50(40-18-10-7-11-19-40)48(39-16-8-6-9-17-39)61(49)51(58)41-24-28-43(29-25-41)74-34-33-63/h6-11,16-19,21-30,35,44,47-51,63H,3-5,12-13,20,31-34,36H2,1-2H3/t47-,48-,49-,50+,51+,58-/m1/s1
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2C=C(C3=C(N=CN=C32)N)C#CC4=CC=NC=C4)COP(=O)(O)OP(=O)(O)O)O)O
InChI: InChI=1S/C19H21N5O10P2/c1-19(26)15(25)13(9-32-36(30,31)34-35(27,28)29)33-18(19)24-8-12(3-2-11-4-6-21-7-5-11)14-16(20)22-10-23-17(14)24/h4-8,10,13,15,18,25-26H,9H2,1H3,(H,30,31)(H2,20,22,23)(H2,27,28,29)/t13-,15-,18-,19-/m1/s1
SMILES: CN1C(=O)[C@H]2[C@@H](C1=O)[C@](N[C@@H]2C3=CC=C(C=C3)F)(C4=CC=CC=C4)C(=O)OC
InChI: InChI=1S/C21H19FN2O4/c1-24-18(25)15-16(19(24)26)21(20(27)28-2,13-6-4-3-5-7-13)23-17(15)12-8-10-14(22)11-9-12/h3-11,15-17,23H,1-2H3/t15-,16-,17+,21+/m0/s1