EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@]12[C@@H]([C@H]([C@@H](O1)C([C@]23COC(O3)(C)C)(F)F)SC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C24H26F2O4S/c1-21(2)28-15-23(30-21)22(3)19(27-14-16-10-6-4-7-11-16)18(20(29-22)24(23,25)26)31-17-12-8-5-9-13-17/h4-13,18-20H,14-15H2,1-3H3/t18-,19-,20-,22+,23+/m1/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@H](NC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C18H15N3O4/c22-20(23)12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(21(24)25)8-9-17(16)19-18/h1-2,4-10,14-15,18-19H,3H2/t14-,15+,18+/m0/s1
SMILES: CC1=C(C[C@@H]([C@@H](C1)C(=O)NCCC2=CC=CC=C2)C(=O)O)C
InChI: InChI=1S/C18H23NO3/c1-12-10-15(16(18(21)22)11-13(12)2)17(20)19-9-8-14-6-4-3-5-7-14/h3-7,15-16H,8-11H2,1-2H3,(H,19,20)(H,21,22)/t15-,16+/m1/s1
SMILES: C1CC[C@@H]2[C@H](C1)CCCN2C(=O)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C18H22N2O5/c21-17(19-11-3-5-13-4-1-2-6-16(13)19)12-25-18(22)14-7-9-15(10-8-14)20(23)24/h7-10,13,16H,1-6,11-12H2/t13-,16-/m1/s1
SMILES: CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O
InChI: InChI=1S/C23H28O12/c1-9(4-6-11-15(25)14-12(8-33-22(14)31)10(2)19(11)32-3)5-7-13(24)34-23-18(28)16(26)17(27)20(35-23)21(29)30/h4,16-18,20,23,25-28H,5-8H2,1-3H3,(H,29,30)/b9-4+/t16-,17-,18+,20-,23+/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H](CC(=CC1=O)N2CCOCC2)C3=CC=CC=C3
InChI: InChI=1S/C19H23NO4/c1-2-24-19(22)18-16(14-6-4-3-5-7-14)12-15(13-17(18)21)20-8-10-23-11-9-20/h3-7,13,16,18H,2,8-12H2,1H3/t16-,18-/m0/s1
SMILES: CNCC1=CN(N=N1)C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NC4CCCCC4
InChI: InChI=1S/C19H32N6O/c1-20-10-16-11-25(23-22-16)12-17-9-14-7-8-24(17)13-18(14)19(26)21-15-5-3-2-4-6-15/h11,14-15,17-18,20H,2-10,12-13H2,1H3,(H,21,26)/t14-,17-,18+/m1/s1
SMILES: CC1=CC(=CC=C1)OC2=CC=C(C=C2)N3C(=O)[C@@H]4[C@H](C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57
InChI: InChI=1S/C31H23NO3/c1-18-7-6-8-21(17-18)35-20-15-13-19(14-16-20)32-30(33)28-26-22-9-2-3-10-23(22)27(29(28)31(32)34)25-12-5-4-11-24(25)26/h2-17,26-29H,1H3/t26?,27?,28-,29+
SMILES: CCOC(=O)O[C@@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@H]5[C@@H]([C@@H]2C1)O5)CC[C@@H]4[C@H](C)CCC(=O)OC)C)C
InChI: InChI=1S/C28H44O6/c1-6-32-26(30)33-17-11-13-28(4)20-12-14-27(3)18(16(2)7-10-22(29)31-5)8-9-19(27)23(20)25-24(34-25)21(28)15-17/h16-21,23-25H,6-15H2,1-5H3/t16-,17-,18-,19+,20+,21+,23+,24-,25+,27-,28-/m1/s1
SMILES: CC1=CC=CC=C1[C@H]2[C@@H](C(=C)NC(=O)N2)C(=O)NC3=CC=CC=C3C(F)(F)F
InChI: InChI=1S/C20H18F3N3O2/c1-11-7-3-4-8-13(11)17-16(12(2)24-19(28)26-17)18(27)25-15-10-6-5-9-14(15)20(21,22)23/h3-10,16-17H,2H2,1H3,(H,25,27)(H2,24,26,28)/t16-,17+/m1/s1
SMILES: COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N[C@H]([C@H]4[C@H]3C=CC4)C5=CC=CC=C5
InChI: InChI=1S/C25H24N2O3S/c1-30-19-12-10-18(11-13-19)27-31(28,29)20-14-15-24-23(16-20)21-8-5-9-22(21)25(26-24)17-6-3-2-4-7-17/h2-8,10-16,21-22,25-27H,9H2,1H3/t21-,22-,25+/m1/s1
SMILES: CC1=NC=C(C=C1)CO[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCCC5=CN(C6=CC=CC=C65)S(=O)(=O)C7=CC=CC=C7)COCCCCCN
InChI: InChI=1S/C48H55N3O8S/c1-36-24-25-39(30-50-36)34-56-45-44(35-54-28-15-5-14-27-49)59-48(47(58-33-38-18-8-3-9-19-38)46(45)57-32-37-16-6-2-7-17-37)55-29-26-40-31-51(43-23-13-12-22-42(40)43)60(52,53)41-20-10-4-11-21-41/h2-4,6-13,16-25,30-31,44-48H,5,14-15,26-29,32-35,49H2,1H3/t44-,45-,46+,47-,48-/m1/s1
SMILES: C[C@@]12CC[C@H]3[C@H]([C@H]1CC[C@@H]2O)CC=C4[C@@]3(CC[C@@H](C4)O)C
InChI: InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14-,15+,16-,17-,18-,19+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N/N=C/2\C=C3C[C@H](CC[C@@]3([C@@H]4[C@@H]2[C@@H]5CC[C@@H]([C@]5(CC4)C)[C@H](C)CCCC(C)C)C)O
InChI: InChI=1S/C34H52N2O3S/c1-22(2)8-7-9-24(4)28-14-15-29-32-30(17-19-34(28,29)6)33(5)18-16-26(37)20-25(33)21-31(32)35-36-40(38,39)27-12-10-23(3)11-13-27/h10-13,21-22,24,26,28-30,32,36-37H,7-9,14-20H2,1-6H3/b35-31+/t24-,26+,28-,29+,30+,32+,33+,34-/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC3=CC=CC4=CC=CC=C43)S(=O)(=O)C5=CC=CS5)O)C6=C(C=C(C[C@H](CC1)O)C=C6)C(=O)C7=CC=CO7)C
InChI: InChI=1S/C42H45NO6S2/c1-29-9-6-21-41(2)37(35-19-17-30(25-33(44)18-16-29)26-36(35)40(45)38-14-7-23-49-38)20-22-42(41,46)28-43(51(47,48)39-15-8-24-50-39)27-32-12-5-11-31-10-3-4-13-34(31)32/h3-5,7-15,17,19,23-24,26,33,37,44,46H,6,16,18,20-22,25,27-28H2,1-2H3/t33-,37-,41-,42+/m0/s1
SMILES: COC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)OC3CCCCO3)OP(=O)(OC)OC
InChI: InChI=1S/C17H27N2O10P/c1-23-10-11-14(29-30(22,24-2)25-3)15(28-13-6-4-5-9-26-13)16(27-11)19-8-7-12(20)18-17(19)21/h7-8,11,13-16H,4-6,9-10H2,1-3H3,(H,18,20,21)/t11-,13?,14-,15-,16-/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@H]2CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCC5
InChI: InChI=1S/C22H30N2O2/c25-22(14-20-12-16-1-3-18(20)11-16)24-8-6-23(7-9-24)15-17-2-4-21-19(13-17)5-10-26-21/h2,4,13,16,18,20H,1,3,5-12,14-15H2/t16-,18+,20-/m0/s1
SMILES: CC(C)(CC[C@@]1([C@H](CCC2=C1N=C3C(=C2OC)C=CO3)O)OC)O
InChI: InChI=1S/C18H25NO5/c1-17(2,21)8-9-18(23-4)13(20)6-5-11-14(22-3)12-7-10-24-16(12)19-15(11)18/h7,10,13,20-21H,5-6,8-9H2,1-4H3/t13-,18-/m0/s1
SMILES: C[C@@H]1[C@H]2C[C@H]([C@@]([C@@H]([C@H]2OC1=O)I)(C)O)O
InChI: InChI=1S/C10H15IO4/c1-4-5-3-6(12)10(2,14)8(11)7(5)15-9(4)13/h4-8,12,14H,3H2,1-2H3/t4-,5-,6-,7+,8-,10-/m1/s1
SMILES: CC1=C2C(=CC=C1)COP(=O)(O2)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)/C=C/Br)OC(=O)[C@@H](C)N
InChI: InChI=1S/C22H25BrN3O9P/c1-12-4-3-5-15-10-31-36(30,35-19(12)15)32-11-17-16(34-21(28)13(2)24)8-18(33-17)26-9-14(6-7-23)20(27)25-22(26)29/h3-7,9,13,16-18H,8,10-11,24H2,1-2H3,(H,25,27,29)/b7-6+/t13-,16+,17-,18-,36?/m1/s1
SMILES: CC(C)C1=CC=C(C=C1)NC(=O)OC2=CC3=C(C=C2)N([C@@H]4[C@]3(CCN4CCC5=CC=CC=C5)C)C
InChI: InChI=1S/C30H35N3O2/c1-21(2)23-10-12-24(13-11-23)31-29(34)35-25-14-15-27-26(20-25)30(3)17-19-33(28(30)32(27)4)18-16-22-8-6-5-7-9-22/h5-15,20-21,28H,16-19H2,1-4H3,(H,31,34)/t28-,30-/m0/s1
SMILES: C[C@]12CCC(C[C@@H]1CCC3C2CC[C@]4(C3CCC4C5=NC(=C(C(=C5)C6=CC=C(C=C6)N=O)C#N)N)C)O
InChI: InChI=1S/C31H38N4O2/c1-30-13-11-21(36)15-19(30)5-8-22-25-9-10-27(31(25,2)14-12-26(22)30)28-16-23(24(17-32)29(33)34-28)18-3-6-20(35-37)7-4-18/h3-4,6-7,16,19,21-22,25-27,36H,5,8-15H2,1-2H3,(H2,33,34)/t19-,21?,22?,25?,26?,27?,30-,31-/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O
InChI: InChI=1S/C23H29N3O4/c1-16(27)17-6-8-18(9-7-17)24-12-14-25(15-13-24)21(28)10-11-26-22(29)19-4-2-3-5-20(19)23(26)30/h6-9,19-20H,2-5,10-15H2,1H3/t19-,20-/m1/s1
SMILES: C1C=CC[C@@]2([C@H]1N(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)C=O
InChI: InChI=1S/C19H17NO3S/c21-14-19-13-7-6-12-18(19)20(17-11-5-4-10-16(17)19)24(22,23)15-8-2-1-3-9-15/h1-11,14,18H,12-13H2/t18-,19+/m0/s1
SMILES: C1CC[C@]2([C@H](C1)[C@@H]([C@@H]3CC[C@H]2C3=O)C4=CC=CC=C4)O
InChI: InChI=1S/C18H22O2/c19-17-13-9-10-15(17)18(20)11-5-4-8-14(18)16(13)12-6-2-1-3-7-12/h1-3,6-7,13-16,20H,4-5,8-11H2/t13-,14+,15-,16+,18+/m0/s1
SMILES: C1C=C[C@@H]2[C@@H]1[C@H](NC3=C(C=CC(=C23)[N+](=O)[O-])Cl)C4=CC=C(C=C4)C(=O)[O-]
InChI: InChI=1S/C19H15ClN2O4/c20-14-8-9-15(22(25)26)16-12-2-1-3-13(12)17(21-18(14)16)10-4-6-11(7-5-10)19(23)24/h1-2,4-9,12-13,17,21H,3H2,(H,23,24)/p-1/t12-,13-,17-/m1/s1
SMILES: CCSC[C@]1(CC[C@]2([C@H](C1)CCC3C2CC[C@]4(C3CC[C@@H]4[C@H](C)CCCC(C)C)C)C)O
InChI: InChI=1S/C30H54OS/c1-7-32-20-30(31)18-17-28(5)23(19-30)11-12-24-26-14-13-25(22(4)10-8-9-21(2)3)29(26,6)16-15-27(24)28/h21-27,31H,7-20H2,1-6H3/t22-,23+,24?,25-,26?,27?,28+,29-,30-/m1/s1
SMILES: CCCN1C2=CC=CC=C2N=C1NC(=O)CN3C(=O)[C@H]4[C@@H]5C[C@H]([C@H]4C3=O)C=C5
InChI: InChI=1S/C21H22N4O3/c1-2-9-24-15-6-4-3-5-14(15)22-21(24)23-16(26)11-25-19(27)17-12-7-8-13(10-12)18(17)20(25)28/h3-8,12-13,17-18H,2,9-11H2,1H3,(H,22,23,26)/t12-,13+,17-,18+
SMILES: C1=CC=C(C=C1)[C@H]2[C@@H](N[C@@H]([C@@H](C2=O)C3=CC=CC=C3)C4=CC=CS4)C5=CC=CS5
InChI: InChI=1S/C25H21NOS2/c27-25-21(17-9-3-1-4-10-17)23(19-13-7-15-28-19)26-24(20-14-8-16-29-20)22(25)18-11-5-2-6-12-18/h1-16,21-24,26H/t21-,22-,23-,24+/m0/s1
SMILES: CC(=O)O[C@@H]\1[C@@H]([C@@]2(CCCCO2)O/C1=C/C=O)OC(=O)C
InChI: InChI=1S/C14H18O7/c1-9(16)19-12-11(5-7-15)21-14(6-3-4-8-18-14)13(12)20-10(2)17/h5,7,12-13H,3-4,6,8H2,1-2H3/b11-5+/t12-,13-,14+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)C2=CC3=CC=CC=C3OC2=O
InChI: InChI=1S/C18H21NO3/c1-11-6-5-8-15(12(11)2)19-17(20)14-10-13-7-3-4-9-16(13)22-18(14)21/h3-4,7,9-12,15H,5-6,8H2,1-2H3,(H,19,20)/t11-,12+,15-/m0/s1
SMILES: C[C@@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2CCC3CNCC3[C@H]2C4=CC=C(C=C4)F
InChI: InChI=1S/C24H24F7NO/c1-13(16-8-17(23(26,27)28)10-18(9-16)24(29,30)31)33-21-7-4-15-11-32-12-20(15)22(21)14-2-5-19(25)6-3-14/h2-3,5-6,8-10,13,15,20-22,32H,4,7,11-12H2,1H3/t13-,15?,20?,21+,22+/m0/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOCC3=CC=C(C=C3)[N+](=O)[O-])C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)OCC6=CC=CC=C6F)CCCCO)CCCCO)N(CC7=CC=C(C=C7)F)C(=O)C8CC8
InChI: InChI=1S/C52H57F2N3O9/c1-2-27-64-52-48(56(51(60)36-17-18-36)31-34-13-19-39(53)20-14-34)30-46(55-65-32-35-15-21-40(22-16-35)57(61)62)43-28-37(9-5-7-25-58)42(11-6-8-26-59)49(50(43)52)44-29-41(23-24-47(44)66-52)63-33-38-10-3-4-12-45(38)54/h2-4,10,12-16,19-24,28-29,36-37,42,48-50,58-59H,1,5-9,11,17-18,25-27,30-33H2/t37-,42+,48-,49+,50+,52+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)COC(=O)C)OC(=O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C27H39NO17/c1-11(29)28-20-23(21(39-14(4)32)18(9-37-12(2)30)43-26(20)36-8)45-27-25(42-17(7)35)24(41-16(6)34)22(40-15(5)33)19(44-27)10-38-13(3)31/h18-27H,9-10H2,1-8H3,(H,28,29)/t18-,19-,20-,21+,22+,23-,24+,25-,26+,27+/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=CC(=C5)OC)O)C(=O)N(C4=O)C(C)(C)C)C(=O)N(C2=O)C6=CC=CC=C6
InChI: InChI=1S/C32H34N2O6/c1-31(2,3)34-27(36)20-13-12-19-21(25(20)29(34)38)16-23-28(37)33(17-9-7-6-8-10-17)30(39)32(23,4)26(19)22-15-18(40-5)11-14-24(22)35/h6-12,14-15,20-21,23,25-26,35H,13,16H2,1-5H3/t20-,21+,23-,25-,26+,32+/m0/s1
SMILES: C[C@H](CCCO)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OC5CCCCO5)C)OC6CCCCO6)OC7CCCCO7)C
InChI: InChI=1S/C39H66O7/c1-26(11-10-19-40)29-15-16-30-37-31(25-33(39(29,30)3)46-36-14-6-9-22-43-36)38(2)18-17-28(44-34-12-4-7-20-41-34)23-27(38)24-32(37)45-35-13-5-8-21-42-35/h26-37,40H,4-25H2,1-3H3/t26-,27+,28-,29-,30+,31+,32-,33+,34?,35?,36?,37+,38+,39-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@](O2)(COC(=O)C)C#C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C18H20N2O9/c1-6-18(8-26-10(3)21)14(28-12(5)23)13(27-11(4)22)16(29-18)20-7-9(2)15(24)19-17(20)25/h1,7,13-14,16H,8H2,2-5H3,(H,19,24,25)/t13-,14-,16+,18+/m0/s1
SMILES: CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)OC(=O)C)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7
InChI: InChI=1S/C51H54O12S/c1-4-64-51-47(62-49(54)40-28-18-9-19-29-40)45(61-48(53)39-26-16-8-17-27-39)43(41(60-51)33-55-30-36-20-10-5-11-21-36)63-50-46(57-32-38-24-14-7-15-25-38)44(42(34(2)58-50)59-35(3)52)56-31-37-22-12-6-13-23-37/h5-29,34,41-47,50-51H,4,30-33H2,1-3H3/t34-,41+,42-,43+,44+,45-,46+,47+,50-,51-/m0/s1
SMILES: CC1(O[C@H]2[C@@H](O1)[C@@H](O[C@H]3[C@@H]2OC(O3)(C)C)C(=O)[O-])C
InChI: InChI=1S/C12H18O7/c1-11(2)16-5-6(17-11)8-10(15-7(5)9(13)14)19-12(3,4)18-8/h5-8,10H,1-4H3,(H,13,14)/p-1/t5-,6+,7-,8-,10-/m1/s1
SMILES: C1[C@@H]2[C@@H]3[C@H]([C@@H]4C5=CC=CC=C5C=C[NH+]4[C@H]3C(=O)C6=CC=CC=C6)C(=O)[C@H](O1)O2
InChI: InChI=1S/C23H19NO4/c25-21(14-7-2-1-3-8-14)20-17-16-12-27-23(28-16)22(26)18(17)19-15-9-5-4-6-13(15)10-11-24(19)20/h1-11,16-20,23H,12H2/p+1/t16-,17-,18-,19+,20-,23-/m1/s1
SMILES: C[C@H]([C@@H]1[C@H](N(C1=O)S(=O)(=O)O)[C@H](C)OC(=O)NCCO)O
InChI: InChI=1S/C10H18N2O8S/c1-5(14)7-8(12(9(7)15)21(17,18)19)6(2)20-10(16)11-3-4-13/h5-8,13-14H,3-4H2,1-2H3,(H,11,16)(H,17,18,19)/t5-,6+,7-,8-/m1/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)O[P+](=O)O)C)C
InChI: InChI=1S/C27H45O3P/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(30-31(28)29)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/p+1/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CCC6=CC=CS6)C(=O)CC7=CC(=C(C=C7)OC)OC)O)C(=C5)C(=O)C8=CC=CO8)O)C
InChI: InChI=1S/C43H51NO7S/c1-39-15-11-29(45)25-41(39)18-19-43(31(26-41)38(47)33-8-5-21-51-33)35(39)12-16-40(2)36(43)13-17-42(40,48)27-44(20-14-30-7-6-22-52-30)37(46)24-28-9-10-32(49-3)34(23-28)50-4/h5-10,18-19,21-23,26,29,35-36,45,48H,11-17,20,24-25,27H2,1-4H3/t29?,35-,36-,39-,40+,41+,42-,43-/m1/s1
SMILES: C[C@@H]1[C@H](C(=O)N(C1=O)C2=NC=CC=N2)CC3=CC=C(C=C3)C
InChI: InChI=1S/C17H17N3O2/c1-11-4-6-13(7-5-11)10-14-12(2)15(21)20(16(14)22)17-18-8-3-9-19-17/h3-9,12,14H,10H2,1-2H3/t12-,14-/m1/s1
SMILES: CC1=CCC2[C@]([C@]13CC4=C(O3)C(=C(OC4=O)C)C)(CCC5[C@@]2(C=CC(=O)C=C5C)C)C
InChI: InChI=1S/C27H32O4/c1-15-13-19(28)9-11-25(5)21(15)10-12-26(6)22(25)8-7-16(2)27(26)14-20-23(31-27)17(3)18(4)30-24(20)29/h7,9,11,13,21-22H,8,10,12,14H2,1-6H3/t21?,22?,25-,26+,27-/m0/s1
SMILES: C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)COC(=O)CC5=CC(=C(C=C5)O)OC)O)C)O)OC(=O)C)OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C38H42O11/c1-20-14-29-36(44,32(20)42)18-24(19-47-30(41)17-23-12-13-27(40)28(16-23)46-6)15-26-31-35(4,5)38(31,49-22(3)39)33(21(2)37(26,29)45)48-34(43)25-10-8-7-9-11-25/h7-16,21,26,29,31,33,40,44-45H,17-19H2,1-6H3/t21-,26+,29-,31-,33-,36-,37-,38-/m1/s1
SMILES: CCCCC(=O)OC(C1CCCCC1)OC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)CC4=CSC(=N4)N)CSC5=NN=NN5CCN(C)C
InChI: InChI=1S/C30H43N9O6S3/c1-4-5-11-22(41)44-28(18-9-7-6-8-10-18)45-27(43)24-19(16-48-30-34-35-36-38(30)13-12-37(2)3)15-46-26-23(25(42)39(24)26)33-21(40)14-20-17-47-29(31)32-20/h17-18,23,26,28H,4-16H2,1-3H3,(H2,31,32)(H,33,40)/t23-,26-,28?/m1/s1
SMILES: C[C@]12C[C@@H]([C@@H]3C4=C(CCC3([C@@H]1CC[C@@H]2O)C=C)C=C(C=C4)O)CCCCCCCN(C)CCCCCCC(C(C(F)(F)F)(F)F)(F)F
InChI: InChI=1S/C37H54F7NO2/c1-4-34-21-19-26-24-28(46)15-16-29(26)32(34)27(25-33(2)30(34)17-18-31(33)47)14-10-6-5-8-12-22-45(3)23-13-9-7-11-20-35(38,39)36(40,41)37(42,43)44/h4,15-16,24,27,30-32,46-47H,1,5-14,17-23,25H2,2-3H3/t27-,30+,31-,32+,33-,34?/m0/s1
SMILES: [13CH]1=[15N][13C](=[13C]2[13C](=[15N]1)[15N]([13CH]=[15N]2)[13C@H]3[13C@@H]([13C@@H]([13C@H](O3)[13CH2]OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)[15NH2]
InChI: InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1
SMILES: COC1=CC(=CC(=C1OC)O)C2=COC3=CC(=C(C(=C3C2=O)O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C24H26O13/c1-32-13-5-9(4-11(26)22(13)33-2)10-8-35-12-6-14(23(34-3)19(29)16(12)17(10)27)36-24-21(31)20(30)18(28)15(7-25)37-24/h4-6,8,15,18,20-21,24-26,28-31H,7H2,1-3H3/t15-,18-,20+,21-,24-/m1/s1
SMILES: CC[C@@H]1[C@@]([C@@H]2[C@H](C(=NC(=O)C)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OC/C(=N/OCC4=CC5=NNN=C5C=C4)/CO2)C)C)C)(C)O
InChI: InChI=1S/C41H62N6O11/c1-12-32-41(9,52)37-23(4)33(42-26(7)48)21(2)17-40(8,54-20-28(19-53-37)45-55-18-27-13-14-29-30(16-27)44-46-43-29)36(24(5)34(49)25(6)38(51)57-32)58-39-35(50)31(47(10)11)15-22(3)56-39/h13-14,16,21-25,31-32,35-37,39,50,52H,12,15,17-20H2,1-11H3,(H,43,44,46)/b42-33?,45-28+/t21-,22-,23+,24+,25-,31+,32-,35-,36-,37+,39+,40-,41-/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@H]6C(=O)N(C(=O)[C@]6([C@H]5C7=CC=C(C8=CC=CC=C78)O)C9=CC=C(C=C9)Cl)NC1=CC=C(C=C1)F
InChI: InChI=1S/C50H40ClFN6O5/c1-56(2)34-19-15-31(16-20-34)53-54-32-17-21-35(22-18-32)57-46(60)40-24-23-39-41(44(40)48(57)62)27-42-47(61)58(55-33-13-11-30(52)12-14-33)49(63)50(42,28-7-9-29(51)10-8-28)45(39)38-25-26-43(59)37-6-4-3-5-36(37)38/h3-23,25-26,40-42,44-45,55,59H,24,27H2,1-2H3/t40-,41+,42-,44-,45-,50+/m0/s1
SMILES: CC1=CC=C(O1)C2=CC(=CC=C2)NC(=O)[C@H]3[C@@H]4C[C@H]([C@@H]3C(=O)[O-])C=C4
InChI: InChI=1S/C20H19NO4/c1-11-5-8-16(25-11)12-3-2-4-15(10-12)21-19(22)17-13-6-7-14(9-13)18(17)20(23)24/h2-8,10,13-14,17-18H,9H2,1H3,(H,21,22)(H,23,24)/p-1/t13-,14+,17-,18-/m0/s1
SMILES: CC1([C@@H]2CC[C@]13CS(=O)(=O)N([C@@H]3C2)C(=O)[C@@H]4C[C@H]([C@H]([C@@H]4O)O)O)C
InChI: InChI=1S/C16H25NO6S/c1-15(2)8-3-4-16(15)7-24(22,23)17(11(16)5-8)14(21)9-6-10(18)13(20)12(9)19/h8-13,18-20H,3-7H2,1-2H3/t8-,9-,10-,11-,12-,13-,16-/m1/s1
SMILES: CCC1(CC(C2=C(C1O[C@H]3C[C@@H]([C@@H]([C@@H](O3)C)O)N(C)C)C(=C4C(=C2O)C(=O)C5=C(C4=O)C=CC=C5O)O)O)O
InChI: InChI=1S/C28H33NO10/c1-5-28(37)10-15(31)18-21(27(28)39-16-9-13(29(3)4)22(32)11(2)38-16)26(36)19-20(25(18)35)24(34)17-12(23(19)33)7-6-8-14(17)30/h6-8,11,13,15-16,22,27,30-32,35-37H,5,9-10H2,1-4H3/t11-,13-,15?,16-,22+,27?,28?/m0/s1
SMILES: C1C[C@@H]2[C@@H]3[C@@H]([C@H](N2C1)C(=O)C4=CC=CC=C4)C(=O)N(C3=O)C5=CC6=C(C=C5)OCCO6
InChI: InChI=1S/C24H22N2O5/c27-22(14-5-2-1-3-6-14)21-20-19(16-7-4-10-25(16)21)23(28)26(24(20)29)15-8-9-17-18(13-15)31-12-11-30-17/h1-3,5-6,8-9,13,16,19-21H,4,7,10-12H2/t16-,19-,20+,21+/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)OC3=C(C=CC(=C3)Cl)Cl
InChI: InChI=1S/C17H17Cl2NO4/c18-10-5-6-13(19)14(9-10)24-15(21)7-8-20-16(22)11-3-1-2-4-12(11)17(20)23/h5-6,9,11-12H,1-4,7-8H2/t11-,12-/m1/s1
SMILES: C[C@H]([C@@H]1[C@H](N(C1=O)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC=C)SC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C53H56NO4PSSi/c1-8-39-57-51(56)49(59(44-33-21-12-22-34-44,45-35-23-13-24-36-45)46-37-25-14-26-38-46)54-48(55)47(40(2)58-61(6,7)52(3,4)5)50(54)60-53(41-27-15-9-16-28-41,42-29-17-10-18-30-42)43-31-19-11-20-32-43/h8-38,40,47,50H,1,39H2,2-7H3/t40-,47+,50-/m1/s1
SMILES: CCC[C@@H]1[C@H]([C@H](CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C1=O)(C)C)O)/C(=C/C3=CSC(=N3)C)/Cl)C)C)O
InChI: InChI=1S/C28H42ClNO6S/c1-7-9-19-25(33)16(2)10-8-11-28(6)23(36-28)13-21(20(29)12-18-15-37-17(3)30-18)35-24(32)14-22(31)27(4,5)26(19)34/h12,15-16,19,21-23,25,31,33H,7-11,13-14H2,1-6H3/b20-12-/t16-,19+,21-,22-,23-,25-,28+/m0/s1
SMILES: COC(C1=CC2=C(C(=O)C=C3[C@@]24C[C@@H]4CN3C(=O)C5=CC6=C(N5)C=CC7=C6CCN7C(=O)N)N=C1)O
InChI: InChI=1S/C26H23N5O5/c1-36-24(34)12-6-16-22(28-10-12)20(32)8-21-26(16)9-13(26)11-31(21)23(33)18-7-15-14-4-5-30(25(27)35)19(14)3-2-17(15)29-18/h2-3,6-8,10,13,24,29,34H,4-5,9,11H2,1H3,(H2,27,35)/t13-,24?,26-/m1/s1
SMILES: CC(=O)OC[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)SC2=NN=C(N2N)C3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C22H26N4O9S/c1-11(27)31-10-16-17(32-12(2)28)18(33-13(3)29)19(34-14(4)30)21(35-16)36-22-25-24-20(26(22)23)15-8-6-5-7-9-15/h5-9,16-19,21H,10,23H2,1-4H3/t16-,17-,18+,19-,21+/m0/s1
SMILES: CC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@]3([C@]2(CC(=O)C4=C3C(=O)C[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)C)C
InChI: InChI=1S/C30H44O3/c1-17(2)18-9-10-21-27(18,5)13-14-29(7)25-19(31)15-22-26(3,4)23(33)11-12-28(22,6)24(25)20(32)16-30(21,29)8/h17-18,21-22H,9-16H2,1-8H3/t18-,21-,22+,27-,28+,29-,30+/m1/s1
SMILES: COC1=CC=CC(=C1[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)NC4=O)O
InChI: InChI=1S/C27H17Cl2F5N2O6/c1-42-12-4-2-3-11(37)14(12)15-8-5-6-9-13(23(39)35-22(9)38)10(8)7-26(28)24(40)36(25(41)27(15,26)29)21-19(33)17(31)16(30)18(32)20(21)34/h2-5,9-10,13,15,37H,6-7H2,1H3,(H,35,38,39)/t9-,10+,13-,15+,26+,27-/m0/s1
SMILES: C1CC(=O)[C@H]2[C@@H](N3C4=CC=CC=C4N=C3NC2=C1)C5=CNC6=CC=CC=C65
InChI: InChI=1S/C22H18N4O/c27-19-11-5-9-17-20(19)21(14-12-23-15-7-2-1-6-13(14)15)26-18-10-4-3-8-16(18)24-22(26)25-17/h1-4,6-10,12,20-21,23H,5,11H2,(H,24,25)/t20-,21-/m0/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H]([C@H]4O)F)C
InChI: InChI=1S/C19H27FO2/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)22/h9,13-17,22H,3-8,10H2,1-2H3/t13-,14+,15+,16-,17-,18+,19+/m1/s1
SMILES: CC1=CSC2=C1NC(=O)N(C2=O)[C@H]3[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
InChI: InChI=1S/C33H26N2O9S/c1-19-18-45-27-24(19)34-33(40)35(28(27)36)29-26(44-32(39)22-15-9-4-10-16-22)25(43-31(38)21-13-7-3-8-14-21)23(42-29)17-41-30(37)20-11-5-2-6-12-20/h2-16,18,23,25-26,29H,17H2,1H3,(H,34,40)/t23-,25-,26-,29-/m1/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CC(=CC=C5)Cl
InChI: InChI=1S/C24H19ClN2O3/c1-15-10-12-18(13-11-15)26-23(28)20-21(16-6-5-7-17(25)14-16)27(30-22(20)24(26)29)19-8-3-2-4-9-19/h2-14,20-22H,1H3/t20-,21-,22+/m0/s1
SMILES: CC(=O)O[C@@H]1CC2C(OC3C2(COC(=O)C3)C4[C@@]1(C5=CC[C@H]([C@@]5(CC4)C)C6=COC=C6)C)(C)C
InChI: InChI=1S/C28H36O6/c1-16(29)33-22-12-21-25(2,3)34-23-13-24(30)32-15-28(21,23)20-8-10-26(4)18(17-9-11-31-14-17)6-7-19(26)27(20,22)5/h7,9,11,14,18,20-23H,6,8,10,12-13,15H2,1-5H3/t18-,20?,21?,22+,23?,26-,27-,28?/m0/s1
SMILES: C[C@@H](C(=O)OCC(=O)O[C@H]1[C@@H]2[C@]([C@H](CCC2(C)C)O)([C@]3(C(=O)C[C@](O[C@@]3([C@H]1OC(=O)C)C)(C)C=C)O)C)N.Cl
InChI: InChI=1S/C27H41NO10.ClH/c1-9-24(6)12-17(31)27(34)25(7)16(30)10-11-23(4,5)20(25)19(21(36-15(3)29)26(27,8)38-24)37-18(32)13-35-22(33)14(2)28;/h9,14,16,19-21,30,34H,1,10-13,28H2,2-8H3;1H/t14-,16-,19-,20-,21-,24-,25-,26+,27-;/m0./s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@@H]([C@H](CN1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C24H55NO4Si3/c1-22(2,3)30(10,11)27-17-18-20(26)21(29-32(14,15)24(7,8)9)19(16-25-18)28-31(12,13)23(4,5)6/h18-21,25-26H,16-17H2,1-15H3/t18-,19+,20-,21-/m1/s1
SMILES: CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)[C@H]([C@H]1O)C3=CC(=C(C=C3)OC)F)CCCC
InChI: InChI=1S/C27H38FNO4S/c1-6-8-14-27(15-9-7-2)18-34(31,32)24-13-11-20(29(3)4)17-21(24)25(26(27)30)19-10-12-23(33-5)22(28)16-19/h10-13,16-17,25-26,30H,6-9,14-15,18H2,1-5H3/t25-,26-/m1/s1
SMILES: CC(CC=C(C)C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(O2)O)OC3CCCCO3)OC4CCCCO4
InChI: InChI=1S/C27H44O6/c1-18(2)10-11-19(3)22(32-26-8-4-6-14-29-26)13-12-20-21-16-25(28)31-24(21)17-23(20)33-27-9-5-7-15-30-27/h10,12-13,19-28H,4-9,11,14-17H2,1-3H3/b13-12+/t19?,20-,21-,22-,23-,24+,25?,26?,27?/m1/s1
SMILES: CC(C)(C)[C@@H](CN(C)S(=O)(=O)C)NC(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)NC(CC4CC4)C(=O)C(=O)NCC=C)CCC35CC5
InChI: InChI=1S/C37H60N6O7S/c1-7-19-38-33(46)31(44)27(20-23-13-14-23)39-32(45)30-25-15-16-37(17-18-37)26(25)21-43(30)34(47)29(24-11-9-8-10-12-24)41-35(48)40-28(36(2,3)4)22-42(5)51(6,49)50/h7,23-30H,1,8-22H2,2-6H3,(H,38,46)(H,39,45)(H2,40,41,48)/t25-,26-,27?,28+,29-,30-/m0/s1
SMILES: CCC(/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CCC(=O)C4)C)O)C)C(C)C
InChI: InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h8-9,18-21,23-27,31H,7,10-17H2,1-6H3/b9-8+/t19-,20?,21-,23-,24+,25+,26-,27+,28+,29-/m1/s1
SMILES: C1CC2=C(C=C(C(=O)N2[C@@H]1C(=O)O)CCC(=O)O)O[C@H]3[C@@H]([C@H](C=C(O3)C(=O)O)O)O
InChI: InChI=1S/C18H19NO11/c20-10-6-12(17(27)28)30-18(14(10)23)29-11-5-7(1-4-13(21)22)15(24)19-8(11)2-3-9(19)16(25)26/h5-6,9-10,14,18,20,23H,1-4H2,(H,21,22)(H,25,26)(H,27,28)/t9-,10-,14+,18+/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)CCCC(=O)O)CN5CCC(CC5)(C6=CC=C(C=C6)Cl)O
InChI: InChI=1S/C42H47ClN2O7/c1-28-37(26-45-21-19-42(50,20-22-45)35-15-17-36(43)18-16-35)51-41(52-40(28)31-13-11-29(27-46)12-14-31)34-8-3-7-33(24-34)32-6-2-5-30(23-32)25-44-38(47)9-4-10-39(48)49/h2-3,5-8,11-18,23-24,28,37,40-41,46,50H,4,9-10,19-22,25-27H2,1H3,(H,44,47)(H,48,49)/t28-,37+,40+,41+/m1/s1
SMILES: C1CC2=CC=CC=C2C3=NN([C@H]([C@H]31)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C23H20N2/c1-3-10-18(11-4-1)23-21-16-15-17-9-7-8-14-20(17)22(21)24-25(23)19-12-5-2-6-13-19/h1-14,21,23H,15-16H2/t21-,23-/m0/s1
SMILES: CC(=CCC[C@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)C(=O)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)C
InChI: InChI=1S/C35H54O7/c1-20(2)9-8-10-21(30(40)42-31-29(39)28(38)25(36)19-41-31)22-13-17-35(7)24-11-12-26-32(3,4)27(37)15-16-33(26,5)23(24)14-18-34(22,35)6/h9,21-22,25-26,28-29,31,36,38-39H,8,10-19H2,1-7H3/t21-,22-,25-,26+,28+,29-,31+,33-,34-,35+/m1/s1
SMILES: CC(C)[C@H]1CCC=C2[C@@H]1C[C@@](CC2=O)(C)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C21H38O2Si/c1-15(2)16-10-9-11-17-18(16)12-21(6,13-19(17)22)14-23-24(7,8)20(3,4)5/h11,15-16,18H,9-10,12-14H2,1-8H3/t16-,18-,21-/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@@H](O2)C#N)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C27H27NO4/c28-16-24-26(30-18-22-12-6-2-7-13-22)27(31-19-23-14-8-3-9-15-23)25(32-24)20-29-17-21-10-4-1-5-11-21/h1-15,24-27H,17-20H2/t24-,25+,26+,27+/m0/s1
SMILES: CC1(CC(=O)[C@H]2[C@@H](N(C3=CC=CC=C3NC2=C1)CC4=CC=CC=C4)C5=CC=CO5)C
InChI: InChI=1S/C26H26N2O2/c1-26(2)15-20-24(22(29)16-26)25(23-13-8-14-30-23)28(17-18-9-4-3-5-10-18)21-12-7-6-11-19(21)27-20/h3-15,24-25,27H,16-17H2,1-2H3/t24-,25-/m0/s1