EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CN([C@H]1CC(=NOCC2=CC=C(C=C2)[N+](=O)[O-])C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC6=CC=CC(=C6)[N+](=O)[O-])OCC=C)CCCCO)CCCCO)C(=O)C7=CC8=CC=CC=C8C=C7
InChI: InChI=1S/C52H54N4O11/c1-3-27-64-52-48(54(2)51(59)38-20-19-35-11-4-5-12-36(35)28-38)32-46(53-65-33-34-17-21-39(22-18-34)55(60)61)44-29-37(13-6-8-25-57)43(16-7-9-26-58)49(50(44)52)45-31-42(23-24-47(45)67-52)66-41-15-10-14-40(30-41)56(62)63/h3-5,10-12,14-15,17-24,28-31,37,43,48-50,57-58H,1,6-9,13,16,25-27,32-33H2,2H3/t37-,43+,48-,49+,50+,52+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1C(C(CO)O)O)(C(=O)O)O[C@H]2[C@@H]([C@H](OC([C@@H]2O)O)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O
InChI: InChI=1S/C23H39NO19/c1-6(28)24-11-7(29)2-23(22(37)38,42-18(11)12(31)8(30)3-25)43-19-16(35)20(36)39-10(5-27)17(19)41-21-15(34)14(33)13(32)9(4-26)40-21/h7-21,25-27,29-36H,2-5H2,1H3,(H,24,28)(H,37,38)/t7-,8?,9+,10+,11+,12?,13-,14-,15+,16+,17+,18+,19+,20?,21-,23-/m0/s1
SMILES: C/C=C/[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@]4([C@H](C[C@@]3([C@@]2(O1)SC)C)O)F)C
InChI: InChI=1S/C24H31FO4S/c1-5-6-20-28-19-12-17-16-8-7-14-11-15(26)9-10-21(14,2)23(16,25)18(27)13-22(17,3)24(19,29-20)30-4/h5-6,9-11,16-20,27H,7-8,12-13H2,1-4H3/b6-5+/t16-,17-,18-,19+,20+,21-,22-,23-,24-/m0/s1
SMILES: CCC1=CC=C(C=C1)S(=O)(=O)N[C@H]2[C@@H](C(OC3=C2C=C(C=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F)(C)C)O
InChI: InChI=1S/C27H27F3N2O6S/c1-4-16-5-12-20(13-6-16)39(35,36)32-23-21-15-17(7-14-22(21)38-26(2,3)24(23)33)25(34)31-18-8-10-19(11-9-18)37-27(28,29)30/h5-15,23-24,32-33H,4H2,1-3H3,(H,31,34)/t23-,24+/m1/s1
SMILES: C[C@@H]1C/C=C/C(=O)O[C@@H](C[C@@H]2[C@@H](/C=C/C(=O)O1)OC(=O)O2)C
InChI: InChI=1S/C15H18O7/c1-9-4-3-5-13(16)20-10(2)8-12-11(21-15(18)22-12)6-7-14(17)19-9/h3,5-7,9-12H,4,8H2,1-2H3/b5-3+,7-6+/t9-,10-,11-,12-/m1/s1
SMILES: CC[C@@H]1C2(C([C@H](C(=O)[C@@H](C[C@]3([C@@H](C[C@H]([C@H](C(=O)O1)C)OCC(CO3)C)OC4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)C)C)C)N(C(=O)O2)CCCCC5=CC=CC=C5)C
InChI: InChI=1S/C43H68N2O10/c1-11-34-43(8)38(45(41(49)55-43)20-16-15-19-31-17-13-12-14-18-31)30(6)36(46)27(3)23-42(7)35(54-40-37(47)32(44(9)10)21-28(4)52-40)22-33(29(5)39(48)53-34)50-24-26(2)25-51-42/h12-14,17-18,26-30,32-35,37-38,40,47H,11,15-16,19-25H2,1-10H3/t26?,27-,28-,29-,30+,32+,33-,34-,35-,37-,38?,40?,42+,43?/m1/s1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@@H]6C(=CCN7N6C(=O)N(C7=O)CCC8=NC9=CC(=C(C=C9N(C8=O)C)OC)OC)[C@@H]([C@@]5(C4=O)C)C1=C(C=CC(=C1)Cl)O)C
InChI: InChI=1S/C45H40Cl2N8O8S/c1-21-25-15-23(47)8-10-36(25)64-39(21)30-19-37(51(4)49-30)54-40(57)27-17-31-24(38(45(27,2)42(54)59)26-16-22(46)7-9-33(26)56)11-14-53-43(60)52(44(61)55(31)53)13-12-28-41(58)50(3)32-20-35(63-6)34(62-5)18-29(32)48-28/h7-11,15-16,18-20,27,31,38,56H,12-14,17H2,1-6H3/t27-,31+,38+,45+/m0/s1
SMILES: C1CCC(CC1)([C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O
InChI: InChI=1S/C40H46O6/c41-40(24-14-5-15-25-40)39-38(45-29-34-22-12-4-13-23-34)37(44-28-33-20-10-3-11-21-33)36(43-27-32-18-8-2-9-19-32)35(46-39)30-42-26-31-16-6-1-7-17-31/h1-4,6-13,16-23,35-39,41H,5,14-15,24-30H2/t35-,36-,37+,38+,39+/m1/s1
SMILES: CC(=O)C12[C@@H]3[C@@H](C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=C(C=CC(=C6)Cl)OC
InChI: InChI=1S/C27H20ClNO4/c1-14(30)27-18-9-5-3-7-16(18)22(17-8-4-6-10-19(17)27)23-24(27)26(32)29(25(23)31)20-13-15(28)11-12-21(20)33-2/h3-13,22-24H,1-2H3/t22?,23-,24-,27?/m1/s1
SMILES: B1(O[C@H]([C@H]([C@@](O1)(C)C2=CC=CC=C2)C)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C23H23BO2/c1-18-22(19-12-6-3-7-13-19)25-24(21-16-10-5-11-17-21)26-23(18,2)20-14-8-4-9-15-20/h3-18,22H,1-2H3/t18-,22-,23+/m1/s1
SMILES: C[C@@]1(COC2=C([C@H]1CCCCCCCCCNS(=O)(=O)NCCCC(C(F)(F)F)(F)F)C=CC(=C2)O)C3=CC=C(C=C3)O
InChI: InChI=1S/C30H41F5N2O5S/c1-28(22-11-13-23(38)14-12-22)21-42-27-20-24(39)15-16-25(27)26(28)10-7-5-3-2-4-6-8-18-36-43(40,41)37-19-9-17-29(31,32)30(33,34)35/h11-16,20,26,36-39H,2-10,17-19,21H2,1H3/t26-,28-/m1/s1
SMILES: C1C[C@H]2[C@@H](C[C@H]1C(=O)O)O[C@]3([C@@]2(CO)O)C[C@@H]([C@@H](CO3)CO)O
InChI: InChI=1S/C15H24O8/c16-5-9-6-22-15(4-11(9)18)14(21,7-17)10-2-1-8(13(19)20)3-12(10)23-15/h8-12,16-18,21H,1-7H2,(H,19,20)/t8-,9+,10-,11-,12+,14-,15-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H]([C@](NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=CS3
InChI: InChI=1S/C17H15F3N2O4S/c1-26-10-6-4-9(5-7-10)13-12(14(23)11-3-2-8-27-11)16(25,17(18,19)20)22-15(24)21-13/h2-8,12-13,25H,1H3,(H2,21,22,24)/t12-,13+,16+/m0/s1
SMILES: C[C@H](CCCCC[C@H](CCCCCCCCCCC[C@H](CC(=O)O)OCC1=CC=C(C=C1)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C64H86O11/c1-50(69-45-51-28-16-11-17-29-51)27-15-10-26-37-57(36-24-8-6-4-3-5-7-9-25-38-58(43-60(66)67)70-46-55-39-41-56(68-2)42-40-55)74-64-63(73-49-54-34-22-14-23-35-54)62(72-48-53-32-20-13-21-33-53)61(59(44-65)75-64)71-47-52-30-18-12-19-31-52/h11-14,16-23,28-35,39-42,50,57-59,61-65H,3-10,15,24-27,36-38,43-49H2,1-2H3,(H,66,67)/t50-,57+,58-,59-,61-,62+,63-,64-/m1/s1
SMILES: CC(=CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCC/C(=C\CC/C(=C/CC/C(=C/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)/C)/C)O)O)O)O)O)C
InChI: InChI=1S/C51H94O11/c1-38(2)19-13-26-47(6,56)28-15-30-49(8,58)32-17-34-51(10,60)35-18-33-50(9,59)31-16-29-48(7,57)27-14-24-40(4)22-11-20-39(3)21-12-23-41(5)25-36-61-46-45(55)44(54)43(53)42(37-52)62-46/h19,21-22,25,42-46,52-60H,11-18,20,23-24,26-37H2,1-10H3/b39-21+,40-22-,41-25+/t42-,43-,44+,45-,46-,47?,48?,49?,50?,51?/m1/s1
SMILES: CC1=CC=C(C=C1)C(=O)[C@@H]2[C@H](NC(=O)N[C@]2(C(F)(F)F)O)C3=CC=C(C=C3)OC
InChI: InChI=1S/C20H19F3N2O4/c1-11-3-5-13(6-4-11)17(26)15-16(12-7-9-14(29-2)10-8-12)24-18(27)25-19(15,28)20(21,22)23/h3-10,15-16,28H,1-2H3,(H2,24,25,27)/t15-,16+,19-/m0/s1
SMILES: CC(C)(C)OC[C@H]1[C@@H](OC(O1)C2=CC(=CC=C2)OC)COC(C)(C)C
InChI: InChI=1S/C20H32O5/c1-19(2,3)22-12-16-17(13-23-20(4,5)6)25-18(24-16)14-9-8-10-15(11-14)21-7/h8-11,16-18H,12-13H2,1-7H3/t16-,17-/m0/s1
SMILES: CC(C)C1=CC2=C(C=C1)[C@@]34CCCC([C@@H]3[C@@H](C2)OC4NO)(C)C
InChI: InChI=1S/C20H29NO2/c1-12(2)13-6-7-15-14(10-13)11-16-17-19(3,4)8-5-9-20(15,17)18(21-22)23-16/h6-7,10,12,16-18,21-22H,5,8-9,11H2,1-4H3/t16-,17+,18?,20+/m1/s1
SMILES: CC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)C)C(=O)N(C4=O)C(=O)OC)O
InChI: InChI=1S/C26H23NO7/c1-11-5-4-6-14(22(11)29)19-13-7-8-15-20(25(32)27(24(15)31)26(33)34-3)16(13)10-17-21(19)18(28)9-12(2)23(17)30/h4-7,9,15-16,19-20,29H,8,10H2,1-3H3/t15-,16+,19+,20-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=S)N/N=C\C2=CC=CC=C2OCC(=O)O
InChI: InChI=1S/C18H25N3O3S/c1-12-6-5-8-15(13(12)2)20-18(25)21-19-10-14-7-3-4-9-16(14)24-11-17(22)23/h3-4,7,9-10,12-13,15H,5-6,8,11H2,1-2H3,(H,22,23)(H2,20,21,25)/b19-10-/t12-,13+,15+/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC(=C)C3=CC[C@H]4[C@H](O3)CO[C@H](O4)C5=CC=C(C=C5)OC
InChI: InChI=1S/C33H38O5Si/c1-24(22-36-39(33(2,3)4,27-12-8-6-9-13-27)28-14-10-7-11-15-28)29-20-21-30-31(37-29)23-35-32(38-30)25-16-18-26(34-5)19-17-25/h6-20,30-32H,1,21-23H2,2-5H3/t30-,31+,32+/m0/s1
SMILES: CO[C@@H]1[C@H]([C@@H]2[C@@H]([C@H](O1)CO)OC(=O)CCC=CCCC(=O)O2)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C22H26O9/c1-27-22-20(31-21(26)14-9-5-4-6-10-14)19-18(15(13-23)28-22)29-16(24)11-7-2-3-8-12-17(25)30-19/h2-6,9-10,15,18-20,22-23H,7-8,11-13H2,1H3/t15-,18-,19+,20+,22+/m1/s1
SMILES: C[C@@H]1[C@@H](CC[C@]2([C@H]1[C@H]([C@@H]([C@]3([C@H]2CC[C@@H]\4[C@@]3(C[C@@H](/C4=C(\CCC=C(C)C)/C(=O)O)OC(=O)C)C)C)O)OC(=O)C)C)O
InChI: InChI=1S/C33H50O8/c1-17(2)10-9-11-21(30(38)39)26-22-12-13-25-31(6)15-14-23(36)18(3)27(31)28(41-20(5)35)29(37)33(25,8)32(22,7)16-24(26)40-19(4)34/h10,18,22-25,27-29,36-37H,9,11-16H2,1-8H3,(H,38,39)/b26-21+/t18-,22+,23-,24+,25+,27-,28-,29+,31-,32+,33-/m1/s1
SMILES: CCCNC(=O)OC[C@@H]1[C@H](C=C[C@H](O1)CCO/N=C/2\C[C@H]([C@H]([C@H]3[C@H]2CC[C@@H]4[C@H]3C(=O)N(C4=O)CC)O)O)OC5=CC=C(C=C5)OC
InChI: InChI=1S/C33H45N3O10/c1-4-15-34-33(41)43-18-27-26(45-20-8-6-19(42-3)7-9-20)13-10-21(46-27)14-16-44-35-24-17-25(37)30(38)28-22(24)11-12-23-29(28)32(40)36(5-2)31(23)39/h6-10,13,21-23,25-30,37-38H,4-5,11-12,14-18H2,1-3H3,(H,34,41)/b35-24+/t21-,22-,23+,25+,26-,27+,28-,29+,30+/m0/s1
SMILES: C[C@H]([C@H]1C[C@@H]2C[C@@H]([C@H]1NC2)OCC3=CC=CC=C3)O
InChI: InChI=1S/C16H23NO2/c1-11(18)14-7-13-8-15(16(14)17-9-13)19-10-12-5-3-2-4-6-12/h2-6,11,13-18H,7-10H2,1H3/t11-,13-,14-,15+,16+/m1/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)O[C@@H](C3=CC=CC=C3)C(=O)NC4CC4
InChI: InChI=1S/C22H27N3O5/c1-14-7-5-6-12-22(14)20(28)25(21(29)24-22)13-17(26)30-18(15-8-3-2-4-9-15)19(27)23-16-10-11-16/h2-4,8-9,14,16,18H,5-7,10-13H2,1H3,(H,23,27)(H,24,29)/t14-,18+,22+/m1/s1
SMILES: C[C@]12CC[C@](C1(C)C)([C@@H](C2=O)Br)C(=O)NC3=CC=CC=C3Br
InChI: InChI=1S/C17H19Br2NO2/c1-15(2)16(3)8-9-17(15,12(19)13(16)21)14(22)20-11-7-5-4-6-10(11)18/h4-7,12H,8-9H2,1-3H3,(H,20,22)/t12-,16-,17+/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC(=C(C=C5)O)OC)C(=O)N(C4=O)C(=O)OC
InChI: InChI=1S/C26H23NO8/c1-11-8-18(29)22-16(23(11)30)10-15-13(20(22)12-4-7-17(28)19(9-12)34-2)5-6-14-21(15)25(32)27(24(14)31)26(33)35-3/h4-5,7-9,14-15,20-21,28H,6,10H2,1-3H3/t14-,15+,20-,21-/m0/s1
SMILES: CC[C@@H]1[C@@]2(C3C(C(=O)O2)NCC3(C(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)OCC#C)C)C)C
InChI: InChI=1S/C35H54N2O10/c1-12-14-43-34(8)16-18(3)28(40)33(7)17-36-24-27(33)35(9,47-31(24)42)23(13-2)45-30(41)21(6)25(38)20(5)29(34)46-32-26(39)22(37(10)11)15-19(4)44-32/h1,18-24,26-27,29,32,36,39H,13-17H2,2-11H3/t18-,19-,20+,21-,22+,23-,24?,26-,27?,29-,32+,33?,34+,35-/m1/s1
SMILES: C[C@]12CC[C@@H]([C@@](C1[C@@H](C[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5(C4CC(CC5)(C)C)C(=O)O)C)C)O)(C)CO)O
InChI: InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-21-26(3)10-9-22(33)27(4,17-31)23(26)20(32)16-29(21,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19?,20-,21-,22+,23?,26-,27-,28-,29-,30+/m1/s1
SMILES: CC1=CC(=NO1)CC2(CC2)S(=O)(=O)NC(=O)[C@@]3(C[C@@H]3C=C)NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)OC5=CC(=NC6=C5C=CC(=C6)OC)C7=CC=CC=C7
InChI: InChI=1S/C46H56N6O10S/c1-10-29-24-46(29,41(55)51-63(57,58)45(18-19-45)25-30-20-27(2)62-50-30)49-39(53)36-22-32(26-52(36)40(54)38(43(3,4)5)48-42(56)61-44(6,7)8)60-37-23-34(28-14-12-11-13-15-28)47-35-21-31(59-9)16-17-33(35)37/h10-17,20-21,23,29,32,36,38H,1,18-19,22,24-26H2,2-9H3,(H,48,56)(H,49,53)(H,51,55)/t29-,32+,36-,38+,46-/m0/s1
SMILES: CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C[C@@H](C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]([C@@H]3O)CC(=O)N[C@@H](CC4=CN(C5=CC=CC=C54)C(=O)OC(C)(C)C)C(=O)OC)NC(=O)OCC6=CC=CC=C6
InChI: InChI=1S/C48H57N5O13S/c1-47(2,3)65-45(59)52-24-30(33-17-11-13-19-38(33)52)21-35(51-44(58)64-26-29-15-9-8-10-16-29)42(56)50-37-28-67(61,62)27-32(41(37)55)23-40(54)49-36(43(57)63-7)22-31-25-53(46(60)66-48(4,5)6)39-20-14-12-18-34(31)39/h8-20,24-25,32,35-37,41,55H,21-23,26-28H2,1-7H3,(H,49,54)(H,50,56)(H,51,58)/t32-,35-,36-,37+,41-/m0/s1
SMILES: C[C@]12CCC[C@]3([C@@H]1C[C@H]4[C@@H](C2)OC(=O)[C@@H]4CN(C)CC5=CC=CC=C5)CO3
InChI: InChI=1S/C23H31NO3/c1-22-9-6-10-23(15-26-23)20(22)11-17-18(21(25)27-19(17)12-22)14-24(2)13-16-7-4-3-5-8-16/h3-5,7-8,17-20H,6,9-15H2,1-2H3/t17-,18-,19-,20-,22-,23-/m1/s1
SMILES: CC1=NN(C2=C1[C@]3(CC[C@H]4[C@H]([C@@H]3C2)CC=C5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C)C6=CC=CC=C6
InChI: InChI=1S/C29H36N2O2/c1-18-27-26(31(30-18)21-8-6-5-7-9-21)17-25-23-11-10-20-16-22(33-19(2)32)12-14-28(20,3)24(23)13-15-29(25,27)4/h5-10,22-25H,11-17H2,1-4H3/t22-,23+,24-,25-,28-,29-/m0/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)C[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4
InChI: InChI=1S/C22H30N4O3/c1-16-7-5-6-12-22(16)20(28)26(21(29)24-22)15-25-13-10-17(11-14-25)19(27)23-18-8-3-2-4-9-18/h2-4,8-9,16-17H,5-7,10-15H2,1H3,(H,23,27)(H,24,29)/p+1/t16-,22+/m1/s1
SMILES: CC1([C@@H]2C[C@H]1[C@@]([C@H](C2)O)(COCC3=CC=CC=C3OC)O)C
InChI: InChI=1S/C18H26O4/c1-17(2)13-8-15(17)18(20,16(19)9-13)11-22-10-12-6-4-5-7-14(12)21-3/h4-7,13,15-16,19-20H,8-11H2,1-3H3/t13-,15-,16+,18-/m1/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2)[C@H]3C=C[C@@H]([C@H](O3)C(=O)OC)N
InChI: InChI=1S/C22H26N4O5/c1-22(2,3)14-7-5-13(6-8-14)19(27)24-16-11-12-26(21(29)25-16)17-10-9-15(23)18(31-17)20(28)30-4/h5-12,15,17-18H,23H2,1-4H3,(H,24,25,27,29)/t15-,17+,18-/m0/s1
SMILES: COC1=CC(=C(C=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=C(C=C8)Cl)O
InChI: InChI=1S/C39H28Cl3F3N4O6/c1-55-23-10-11-25(30(50)15-23)32-24-12-13-26-31(36(53)48(34(26)51)22-8-6-21(41)7-9-22)27(24)16-28-35(52)49(37(54)38(28,32)18-2-4-20(40)5-3-18)47-33-29(42)14-19(17-46-33)39(43,44)45/h2-12,14-15,17,26-28,31-32,50H,13,16H2,1H3,(H,46,47)/t26-,27+,28-,31-,32+,38+/m0/s1
SMILES: CC1([C@H]2CC=C([C@@H]1C2)CN3CCN4CCC[C@@H]4[C@@H]3C5CCCCC5)C
InChI: InChI=1S/C23H38N2/c1-23(2)19-11-10-18(20(23)15-19)16-25-14-13-24-12-6-9-21(24)22(25)17-7-4-3-5-8-17/h10,17,19-22H,3-9,11-16H2,1-2H3/t19-,20-,21+,22-/m0/s1
SMILES: CC1CN(C2=CC=CC3=C2N1[C@@H]4[C@H]3CN(CC4)CCCC(=O)C5=CC=C(C=C5)F)C
InChI: InChI=1S/C25H30FN3O/c1-17-15-27(2)23-6-3-5-20-21-16-28(14-12-22(21)29(17)25(20)23)13-4-7-24(30)18-8-10-19(26)11-9-18/h3,5-6,8-11,17,21-22H,4,7,12-16H2,1-2H3/t17?,21-,22-/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)OC(=O)C[C@@H](C(C)(C)O)O
InChI: InChI=1S/C27H42O6/c1-16-19(13-20(28)14-23(16)29)9-8-18-7-6-12-27(5)21(10-11-22(18)27)17(2)33-25(31)15-24(30)26(3,4)32/h8-9,17,20-24,28-30,32H,1,6-7,10-15H2,2-5H3/b18-8+,19-9-/t17-,20+,21+,22-,23-,24-,27+/m0/s1
SMILES: C1CC[NH+]([C@H](C1)CO)C[C@H]2CCC[NH+]3[C@@H]2CCCC3
InChI: InChI=1S/C16H30N2O/c19-13-15-7-1-3-10-18(15)12-14-6-5-11-17-9-4-2-8-16(14)17/h14-16,19H,1-13H2/p+2/t14-,15-,16-/m1/s1
SMILES: COC1=C(C(=CC=C1)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC
InChI: InChI=1S/C14H20O8/c1-19-7-4-3-5-8(13(7)20-2)21-14-12(18)11(17)10(16)9(6-15)22-14/h3-5,9-12,14-18H,6H2,1-2H3/t9-,10-,11+,12-,14?/m1/s1
SMILES: C1=CC=C(C=C1)C2=CN(C3=NC=NC(=C23)NC4=CC=CC=C4)[C@H]5[C@@H]([C@@H]([C@@H](O5)CN)O)O
InChI: InChI=1S/C23H23N5O3/c24-11-17-19(29)20(30)23(31-17)28-12-16(14-7-3-1-4-8-14)18-21(25-13-26-22(18)28)27-15-9-5-2-6-10-15/h1-10,12-13,17,19-20,23,29-30H,11,24H2,(H,25,26,27)/t17-,19+,20+,23+/m0/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOCC3=CC=CC=C3)C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)O)CCCCO)CCCCO)N(CC6=CC=CC7=CC=CC=C76)C(=O)OCCCl
InChI: InChI=1S/C48H55ClN2O8/c1-2-26-57-48-44(51(47(55)56-27-23-49)31-36-18-12-17-34-15-6-7-19-38(34)36)30-42(50-58-32-33-13-4-3-5-14-33)40-28-35(16-8-10-24-52)39(20-9-11-25-53)45(46(40)48)41-29-37(54)21-22-43(41)59-48/h2-7,12-15,17-19,21-22,28-29,35,39,44-46,52-54H,1,8-11,16,20,23-27,30-32H2/t35-,39+,44-,45+,46+,48+/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CSC6=NC=NN6)O)C(=C5)C(=O)C7=CC(=CC=C7)C(F)(F)F)O)C
InChI: InChI=1S/C32H36F3N3O3S/c1-27-9-6-21(39)15-29(27)12-13-31(22(16-29)25(40)19-4-3-5-20(14-19)32(33,34)35)23(27)7-10-28(2)24(31)8-11-30(28,41)17-42-26-36-18-37-38-26/h3-5,12-14,16,18,21,23-24,39,41H,6-11,15,17H2,1-2H3,(H,36,37,38)/t21?,23-,24-,27-,28+,29+,30-,31-/m1/s1
SMILES: CCOC(=O)[C@]1([C@@H]2[C@@H]([C@@H](N1)C3=CC=CC=C3C)C(=O)N(C2=O)C4=CC=C(C=C4)C)C
InChI: InChI=1S/C24H26N2O4/c1-5-30-23(29)24(4)19-18(20(25-24)17-9-7-6-8-15(17)3)21(27)26(22(19)28)16-12-10-14(2)11-13-16/h6-13,18-20,25H,5H2,1-4H3/t18-,19+,20-,24+/m0/s1
SMILES: C[C@H]1C([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@@]5([C@H]4[C@@H](C[C@@]3(C2[C@H](C)[C@H](CCC(C)C)O)C)O)C)O)O)O)O
InChI: InChI=1S/C33H56O8/c1-16(2)7-10-23(35)17(3)26-25(41-31-30(39)29(38)28(37)18(4)40-31)14-22-21-9-8-19-13-20(34)11-12-32(19,5)27(21)24(36)15-33(22,26)6/h8,16-18,20-31,34-39H,7,9-15H2,1-6H3/t17-,18+,20+,21+,22+,23+,24-,25+,26?,27-,28?,29-,30-,31+,32+,33+/m1/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)OCC=C)C(C)C)CCCO
InChI: InChI=1S/C17H28O5/c1-5-10-21-16(19)15-11-14(12(3)4)13(8-7-9-18)17(22-15)20-6-2/h5,11-14,17-18H,1,6-10H2,2-4H3/t13-,14-,17-/m0/s1
SMILES: CN(C)C1=C(C=C(C=C1[N+](=O)[O-])N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=CC(=CC=C6)O)C7=CC=C(C=C7)Cl)NC8=CC=C(C=C8)F)[N+](=O)[O-]
InChI: InChI=1S/C40H32ClFN6O9/c1-44(2)35-31(47(54)55)17-25(18-32(35)48(56)57)45-36(50)28-15-14-27-29(33(28)38(45)52)19-30-37(51)46(43-24-12-10-23(42)11-13-24)39(53)40(30,21-6-8-22(41)9-7-21)34(27)20-4-3-5-26(49)16-20/h3-14,16-18,28-30,33-34,43,49H,15,19H2,1-2H3/t28-,29+,30-,33-,34-,40+/m0/s1
SMILES: CC1=CC=C(C=C1)COC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)F)OCC4=CC=C(C=C4)C
InChI: InChI=1S/C25H27FN2O5/c1-16-3-7-18(8-4-16)13-31-15-22-21(32-14-19-9-5-17(2)6-10-19)11-23(33-22)28-12-20(26)24(29)27-25(28)30/h3-10,12,21-23H,11,13-15H2,1-2H3,(H,27,29,30)/t21-,22+,23+/m0/s1
SMILES: COC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C22H24O9/c1-28-12-4-2-11(3-5-12)16-9-15(24)14-7-6-13(8-17(14)30-16)29-22-21(27)20(26)19(25)18(10-23)31-22/h2-8,16,18-23,25-27H,9-10H2,1H3/t16?,18-,19-,20+,21-,22-/m1/s1
SMILES: CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)C(C)(C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)CCCCCCCCCCCC(C)C)O)O)O)/C)/C
InChI: InChI=1S/C61H90O9/c1-44(2)27-20-18-16-14-13-15-17-19-21-36-55(64)68-43-53-56(65)57(66)58(67)59(69-53)70-61(11,12)54(63)40-38-49(7)35-26-33-47(5)32-24-30-45(3)28-22-23-29-46(4)31-25-34-48(6)37-39-51-50(8)52(62)41-42-60(51,9)10/h22-26,28-35,37-40,44,53,56-59,65-67H,13-21,27,36,41-43H2,1-12H3/b23-22+,30-24+,31-25+,33-26+,39-37+,40-38+,45-28+,46-29+,47-32+,48-34+,49-35+/t53-,56-,57+,58-,59+/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])F
InChI: InChI=1S/C14H16FN3O2S/c15-11-4-3-10(18(19)20)7-13(11)17-14(21)16-12-6-8-1-2-9(12)5-8/h3-4,7-9,12H,1-2,5-6H2,(H2,16,17,21)/t8-,9+,12-/m0/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)NCCOC)C2=CC=CC=C2)CCCO
InChI: InChI=1S/C20H29NO5/c1-3-25-20-16(10-7-12-22)17(15-8-5-4-6-9-15)14-18(26-20)19(23)21-11-13-24-2/h4-6,8-9,14,16-17,20,22H,3,7,10-13H2,1-2H3,(H,21,23)/t16-,17-,20-/m0/s1
SMILES: CO[C@H]1CN(C[C@@H]1N)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI: InChI=1S/C18H19F2N3O4/c1-27-13-7-22(6-12(13)21)16-11(19)4-9-15(14(16)20)23(8-2-3-8)5-10(17(9)24)18(25)26/h4-5,8,12-13H,2-3,6-7,21H2,1H3,(H,25,26)/t12-,13-/m0/s1
SMILES: C[C@@]1(CC[C@@H]2[C@H](CCCO2)O[C@@H]1COS(=O)(=O)C(F)(F)F)O[Si](C)(C)C
InChI: InChI=1S/C15H27F3O6SSi/c1-14(24-26(2,3)4)8-7-11-12(6-5-9-21-11)23-13(14)10-22-25(19,20)15(16,17)18/h11-13H,5-10H2,1-4H3/t11-,12+,13-,14+/m1/s1
SMILES: C1=CC=C(C=C1)OC[C@H]2[C@H](C(C(N(S(=O)(=O)N2CC3=CC=C(C=C3)CO)CC4=CC=C(C=C4)CO)COC5=CC=CC=C5)O)O
InChI: InChI=1S/C34H38N2O8S/c37-21-27-15-11-25(12-16-27)19-35-31(23-43-29-7-3-1-4-8-29)33(39)34(40)32(24-44-30-9-5-2-6-10-30)36(45(35,41)42)20-26-13-17-28(22-38)18-14-26/h1-18,31-34,37-40H,19-24H2/t31-,32?,33+,34?/m0/s1
SMILES: C[C@@H]1C[C@@H]1C2=CC=C(O2)CCC(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)F
InChI: InChI=1S/C21H21FN2O2S/c1-13-10-18(13)19-8-6-16(26-19)7-9-20(25)24-21-23-12-17(27-21)11-14-2-4-15(22)5-3-14/h2-6,8,12-13,18H,7,9-11H2,1H3,(H,23,24,25)/t13-,18+/m1/s1
SMILES: C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CCC3C1CC[C@]2(C(C(F)(F)F)(F)F)OC)C5=CC=C(C=C5)/C=N/OC(=O)OC
InChI: InChI=1S/C30H32F5NO5/c1-27-15-23(18-6-4-17(5-7-18)16-36-41-26(38)39-2)25-21-11-9-20(37)14-19(21)8-10-22(25)24(27)12-13-28(27,40-3)29(31,32)30(33,34)35/h4-7,14,16,22-24H,8-13,15H2,1-3H3/b36-16+/t22?,23-,24?,27+,28+/m1/s1
SMILES: CCOC(=O)C1=C(NC(=O)[C@@H]([C@H]1C2=CC=CC=C2)C(=O)N)C
InChI: InChI=1S/C16H18N2O4/c1-3-22-16(21)11-9(2)18-15(20)13(14(17)19)12(11)10-7-5-4-6-8-10/h4-8,12-13H,3H2,1-2H3,(H2,17,19)(H,18,20)/t12-,13-/m0/s1
SMILES: CC1=[N+]([C@H]([C@@H](O1)CBr)C(F)(F)F)CC2=CC=CC=C2.[Br-]
InChI: InChI=1S/C13H14BrF3NO.BrH/c1-9-18(8-10-5-3-2-4-6-10)12(13(15,16)17)11(7-14)19-9;/h2-6,11-12H,7-8H2,1H3;1H/q+1;/p-1/t11-,12+;/m0./s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N3N=CN=N3
InChI: InChI=1S/C11H14N6O4/c1-6-3-16(11(20)14-10(6)19)9-2-7(8(4-18)21-9)17-13-5-12-15-17/h3,5,7-9,18H,2,4H2,1H3,(H,14,19,20)/t7-,8+,9+/m0/s1
SMILES: CC1(OC[C@H]2[C@@H](O1)CC[C@H]([C@@H]2/C=C/C(=O)CBr)OC3CCCCO3)C
InChI: InChI=1S/C19H29BrO5/c1-19(2)23-12-15-14(7-6-13(21)11-20)16(8-9-17(15)25-19)24-18-5-3-4-10-22-18/h6-7,14-18H,3-5,8-12H2,1-2H3/b7-6+/t14-,15-,16-,17+,18?/m1/s1
SMILES: C[C@]1([C@H](CCC2([C@]13C[C@@H](CC2)C(O3)(C)C)C)O)O
InChI: InChI=1S/C15H26O3/c1-12(2)10-5-7-13(3)8-6-11(16)14(4,17)15(13,9-10)18-12/h10-11,16-17H,5-9H2,1-4H3/t10-,11+,13?,14-,15-/m1/s1
SMILES: CC(C)C[C@@H]1CN2CCC3=CC(=C(C=C3[C@H]2C[C@H]1N)OC)OC
InChI: InChI=1S/C19H30N2O2/c1-12(2)7-14-11-21-6-5-13-8-18(22-3)19(23-4)9-15(13)17(21)10-16(14)20/h8-9,12,14,16-17H,5-7,10-11,20H2,1-4H3/t14-,16-,17-/m1/s1
SMILES: C[C@@H]1CCC[C@H](N1C(=O)[C@@H]2CCCC[C@@H]2C(=O)O)C
InChI: InChI=1S/C15H25NO3/c1-10-6-5-7-11(2)16(10)14(17)12-8-3-4-9-13(12)15(18)19/h10-13H,3-9H2,1-2H3,(H,18,19)/t10-,11-,12-,13+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H](C[C@H](O2)OC)O)O)O
InChI: InChI=1S/C18H31NO13/c1-7(21)19-13-9(23)4-18(17(27)28,32-16(13)15(26)10(24)5-20)30-6-11-14(25)8(22)3-12(29-2)31-11/h8-16,20,22-26H,3-6H2,1-2H3,(H,19,21)(H,27,28)/t8-,9+,10-,11-,12+,13-,14-,15-,16-,18-/m1/s1
SMILES: CC1=NN=C(N1CC(=O)O)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CC4=CC=CO4)SC2)C(=O)O
InChI: InChI=1S/C19H19N5O7S2/c1-9-21-22-19(23(9)6-13(26)27)33-8-10-7-32-17-14(16(28)24(17)15(10)18(29)30)20-12(25)5-11-3-2-4-31-11/h2-4,14,17H,5-8H2,1H3,(H,20,25)(H,26,27)(H,29,30)/t14-,17-/m1/s1
SMILES: C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)N/N=C\3/C[C@@H]4[C@H]3CC=C4
InChI: InChI=1S/C18H21N3O4S/c22-18(20-19-17-12-13-3-2-6-16(13)17)14-4-1-5-15(11-14)26(23,24)21-7-9-25-10-8-21/h1-5,11,13,16H,6-10,12H2,(H,20,22)/b19-17-/t13-,16-/m1/s1
SMILES: CC(C)(C)C(=O)C1=C2C=CC=CN2[C@@H]3[C@H]1C(=O)C4=CC=CC=C4C3=O
InChI: InChI=1S/C21H19NO3/c1-21(2,3)20(25)15-14-10-6-7-11-22(14)17-16(15)18(23)12-8-4-5-9-13(12)19(17)24/h4-11,16-17H,1-3H3/t16-,17+/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@@](C1)(O2)[C@@](C)(C3=CC=CC=C3)O
InChI: InChI=1S/C15H20O2/c1-11-8-9-13-15(10-11,17-13)14(2,16)12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3/t11-,13+,14-,15-/m1/s1
SMILES: CC1=C(C(=CC=C1)NC(=O)CN2[C@H]3[C@H](C(=O)N(C3=O)C4=CC(=C(C=C4)C)C)N=N2)C
InChI: InChI=1S/C22H23N5O3/c1-12-8-9-16(10-14(12)3)27-21(29)19-20(22(27)30)26(25-24-19)11-18(28)23-17-7-5-6-13(2)15(17)4/h5-10,19-20H,11H2,1-4H3,(H,23,28)/t19-,20+/m1/s1
SMILES: CSC1=CC=C(C=C1)C[NH2+]C[C@H]2C[C@@H]3CC[NH+]2C[C@@H]3C=C
InChI: InChI=1S/C18H26N2S/c1-3-15-13-20-9-8-16(15)10-17(20)12-19-11-14-4-6-18(21-2)7-5-14/h3-7,15-17,19H,1,8-13H2,2H3/p+2/t15-,16-,17+/m0/s1
SMILES: CC1=C(C(=CC=C1)NC(=O)C2[C@@H]3[C@H]2CC/C=C\CC/C=C\CC3)C
InChI: InChI=1S/C22H29NO/c1-16-12-11-15-20(17(16)2)23-22(24)21-18-13-9-7-5-3-4-6-8-10-14-19(18)21/h5-8,11-12,15,18-19,21H,3-4,9-10,13-14H2,1-2H3,(H,23,24)/b7-5-,8-6-/t18-,19+,21?
SMILES: C[C@]1(CC(=O)[C@H]([C@@H]([C@@H]1C(=O)OC)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)OC)O
InChI: InChI=1S/C20H26O9/c1-20(24)9-11(21)15(18(22)28-5)14(16(20)19(23)29-6)10-7-12(25-2)17(27-4)13(8-10)26-3/h7-8,14-16,24H,9H2,1-6H3/t14-,15+,16+,20+/m0/s1
SMILES: CCN(CC)C1=C(N=C(C=C1)N(CC)CC)N2CCN(CC2)CC(=O)[C@H]3[C@@H](C[C@@H]4[C@@]3(CC=C5[C@H]4CCC6=CC(=O)C=C[C@@]65C)C)C
InChI: InChI=1S/C39H57N5O2/c1-8-42(9-2)33-14-15-35(43(10-3)11-4)40-37(33)44-22-20-41(21-23-44)26-34(46)36-27(5)24-32-30-13-12-28-25-29(45)16-18-38(28,6)31(30)17-19-39(32,36)7/h14-18,25,27,30,32,36H,8-13,19-24,26H2,1-7H3/t27-,30-,32+,36-,38+,39+/m1/s1
SMILES: CCOC1=CC=CC=C1[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4)ON2C5=CC=CC=C5
InChI: InChI=1S/C25H22N2O4/c1-2-30-20-16-10-9-15-19(20)22-21-23(31-27(22)18-13-7-4-8-14-18)25(29)26(24(21)28)17-11-5-3-6-12-17/h3-16,21-23H,2H2,1H3/t21-,22-,23+/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=C(C(=CC(=C5)Br)OC)O)C(=O)N(C4=O)C6=CC=C(C=C6)[N+](=O)[O-]
InChI: InChI=1S/C30H23BrN2O8/c1-13-9-22(34)26-21(27(13)35)12-19-17(24(26)20-10-14(31)11-23(41-2)28(20)36)7-8-18-25(19)30(38)32(29(18)37)15-3-5-16(6-4-15)33(39)40/h3-7,9-11,18-19,24-25,36H,8,12H2,1-2H3/t18-,19+,24+,25-/m0/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=C(C=C(C=C8)OCC9=CC=CC=C9)O)C(=O)N(C7=O)CCCCCC(=O)O)C
InChI: InChI=1S/C47H45ClN4O8S/c1-25-32-20-27(48)13-18-37(32)61-42(25)35-23-38(50(3)49-35)52-44(57)34-22-33-29(16-17-31-40(33)45(58)51(43(31)56)19-9-5-8-12-39(54)55)41(47(34,2)46(52)59)30-15-14-28(21-36(30)53)60-24-26-10-6-4-7-11-26/h4,6-7,10-11,13-16,18,20-21,23,31,33-34,40-41,53H,5,8-9,12,17,19,22,24H2,1-3H3,(H,54,55)/t31-,33+,34-,40-,41+,47+/m0/s1
SMILES: C1C=C[C@@H]2[C@@H]1[C@@H](NC3=C2C=CC=C3[N+](=O)[O-])C4=CC=C(C=C4)F
InChI: InChI=1S/C18H15FN2O2/c19-12-9-7-11(8-10-12)17-14-4-1-3-13(14)15-5-2-6-16(21(22)23)18(15)20-17/h1-3,5-10,13-14,17,20H,4H2/t13-,14-,17+/m1/s1