EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=O)[O-].C[C@@]1(CC[C@@H](C[C@@H]1/C=C/CN(C)C)O)C2CC[C@@]3(C([C@H]2CO)CCC3=C)C.[NH4+]
InChI: InChI=1S/C24H41NO2.C2H4O2.H3N/c1-17-8-9-21-20(16-26)22(11-13-23(17,21)2)24(3)12-10-19(27)15-18(24)7-6-14-25(4)5;1-2(3)4;/h6-7,18-22,26-27H,1,8-16H2,2-5H3;1H3,(H,3,4);1H3/b7-6+;;/t18-,19-,20+,21?,22?,23-,24-;;/m0../s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]2(C#C)F)CCC4=CC5=C(C[C@]34C)C=NO5
InChI: InChI=1S/C22H26FNO/c1-4-22(23)10-8-18-16-6-5-15-11-19-14(13-24-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22-/m1/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6CCC6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
InChI: InChI=1S/C45H53NO14/c1-23-29(58-41(54)34(50)33(26-14-9-7-10-15-26)46-39(52)27-18-13-19-27)21-45(55)38(59-40(53)28-16-11-8-12-17-28)36-43(6,30(49)20-31-44(36,22-56-31)60-25(3)48)37(51)35(57-24(2)47)32(23)42(45,4)5/h7-12,14-17,27,29-31,33-36,38,49-50,55H,13,18-22H2,1-6H3,(H,46,52)/t29-,30-,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1
SMILES: C[C@@]12CCC[C@H]1[C@@H]3C=CC4=CC(=O)C=C[C@@H]4[C@H]3CC2
InChI: InChI=1S/C18H22O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h4-7,11,14-17H,2-3,8-10H2,1H3/t14-,15+,16+,17-,18-/m0/s1
SMILES: CC1=C(C=C(C=C1)C(C(CO)OC2=C(C=C(C=C2)C[C@H]3COC(=O)[C@@H]3CC4=CC5=C(C(=C4)OC)O[C@@H]([C@H]5CO)C6=CC(=C(C=C6)O)OC)OC)O)OC
InChI: InChI=1S/C41H46O12/c1-22-6-8-25(17-33(22)47-2)38(45)37(20-43)52-32-11-7-23(15-35(32)49-4)12-27-21-51-41(46)28(27)13-24-14-29-30(19-42)39(53-40(29)36(16-24)50-5)26-9-10-31(44)34(18-26)48-3/h6-11,14-18,27-28,30,37-39,42-45H,12-13,19-21H2,1-5H3/t27-,28+,30-,37?,38?,39+/m0/s1
SMILES: C[C@H](COCC1=CC=CC=C1)[C@@H]([C@H]2[C@H](C[C@@H](O2)CO)O)I
InChI: InChI=1S/C16H23IO4/c1-11(9-20-10-12-5-3-2-4-6-12)15(17)16-14(19)7-13(8-18)21-16/h2-6,11,13-16,18-19H,7-10H2,1H3/t11-,13-,14+,15+,16-/m1/s1
SMILES: C1[C@@H]([C@H]([C@H]2C[C@@]1(C(=O)O2)O)OC(=O)C3=CC=CC=C3)CCCO
InChI: InChI=1S/C17H20O6/c18-8-4-7-12-9-17(21)10-13(22-16(17)20)14(12)23-15(19)11-5-2-1-3-6-11/h1-3,5-6,12-14,18,21H,4,7-10H2/t12-,13+,14+,17-/m0/s1
SMILES: CCC(C)CC(C)/C=C/C(=O)O[C@@H]1[C@@H]2[C@]3(O[C@H]([C@@H]([C@@]1(O3)C(=O)OC(C)(C)C)O)C(=O)O2)CCC(=C)C(C(C)CC4=CC=CC=C4)OC(=O)C
InChI: InChI=1S/C38H52O11/c1-10-22(2)20-23(3)16-17-28(40)45-33-32-37(19-18-24(4)29(44-26(6)39)25(5)21-27-14-12-11-13-15-27)47-30(34(42)46-32)31(41)38(33,49-37)35(43)48-36(7,8)9/h11-17,22-23,25,29-33,41H,4,10,18-21H2,1-3,5-9H3/b17-16+/t22?,23?,25?,29?,30-,31+,32-,33-,37+,38+/m1/s1
SMILES: CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OC6CC(CC(C6)(C)C)C.Cl
InChI: InChI=1S/C29H38N2O2.ClH/c1-5-29-12-8-13-30-14-11-22-21-9-6-7-10-23(21)31(25(22)26(29)30)24(18-29)27(32)33-20-15-19(2)16-28(3,4)17-20;/h6-7,9-10,18-20,26H,5,8,11-17H2,1-4H3;1H/t19?,20?,26-,29+;/m1./s1
SMILES: CO[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)CCCN)OCC2=CC=C(C=C2)Cl)COCC3=CC4=CC=CC=C4C=C3)O
InChI: InChI=1S/C29H35ClN2O6/c1-35-28-26(32-25(33)7-4-14-31)29(37-17-19-9-12-23(30)13-10-19)38-24(27(28)34)18-36-16-20-8-11-21-5-2-3-6-22(21)15-20/h2-3,5-6,8-13,15,24,26-29,34H,4,7,14,16-18,31H2,1H3,(H,32,33)/t24-,26-,27-,28-,29?/m1/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@H]3[C@@H](/C(=C/Br)/O2)OC(O3)(C)C)C
InChI: InChI=1S/C13H19BrO5/c1-12(2)15-6-8(17-12)9-11-10(7(5-14)16-9)18-13(3,4)19-11/h5,8-11H,6H2,1-4H3/b7-5-/t8-,9-,10-,11+/m1/s1
SMILES: COC1=C(C(=CC(=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)CCCC(=O)O)I)O
InChI: InChI=1S/C37H30Cl2F3IN4O8/c1-55-26-12-16(11-25(43)30(26)50)29-20-8-9-21-28(34(53)46(32(21)51)10-2-3-27(48)49)22(20)14-23-33(52)47(35(54)36(23,29)17-4-6-19(38)7-5-17)45-31-24(39)13-18(15-44-31)37(40,41)42/h4-8,11-13,15,21-23,28-29,50H,2-3,9-10,14H2,1H3,(H,44,45)(H,48,49)/t21-,22+,23-,28-,29-,36+/m0/s1
SMILES: COC1=CC=C(C=C1)C(=O)N2CC[C@H]3[C@H]2C(=O)N4C[C@H](C[C@@H]4C(=O)N3)NC(=O)C5CCCCC5
InChI: InChI=1S/C25H32N4O5/c1-34-18-9-7-16(8-10-18)24(32)28-12-11-19-21(28)25(33)29-14-17(13-20(29)23(31)27-19)26-22(30)15-5-3-2-4-6-15/h7-10,15,17,19-21H,2-6,11-14H2,1H3,(H,26,30)(H,27,31)/t17-,19-,20+,21-/m0/s1
SMILES: COC1=C(C=C(C=C1)N(CC(=O)N[C@H]2C[C@@H]3CC[C@H]2C3)S(=O)(=O)C4=CC=CC=C4)OC
InChI: InChI=1S/C23H28N2O5S/c1-29-21-11-10-18(14-22(21)30-2)25(31(27,28)19-6-4-3-5-7-19)15-23(26)24-20-13-16-8-9-17(20)12-16/h3-7,10-11,14,16-17,20H,8-9,12-13,15H2,1-2H3,(H,24,26)/t16-,17+,20+/m1/s1
SMILES: CNC(=O)CN(C)C(=O)COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O
InChI: InChI=1S/C16H23N3O6/c1-17-12(20)7-18(2)13(21)9-25-14(22)8-19-15(23)10-5-3-4-6-11(10)16(19)24/h10-11H,3-9H2,1-2H3,(H,17,20)/t10-,11-/m1/s1
SMILES: CC1=CC(=C2C(=C1)[C@]3([C@H]4[C@@H]([C@H]([NH2+]3)CCSC)C(=O)N(C4=O)C5CCCC5)C(=O)N2)C
InChI: InChI=1S/C23H29N3O3S/c1-12-10-13(2)19-15(11-12)23(22(29)24-19)18-17(16(25-23)8-9-30-3)20(27)26(21(18)28)14-6-4-5-7-14/h10-11,14,16-18,25H,4-9H2,1-3H3,(H,24,29)/p+1/t16-,17-,18+,23+/m1/s1
SMILES: CN1C(=CC=N1)C(=O)OC2=CC=C(C=C2)[C@@H]3[C@@H]4[C@@H](C(=O)N(C4=O)C5=CC=C(C=C5)Cl)ON3C6=CC=CC=C6
InChI: InChI=1S/C28H21ClN4O5/c1-31-22(15-16-30-31)28(36)37-21-13-7-17(8-14-21)24-23-25(38-33(24)20-5-3-2-4-6-20)27(35)32(26(23)34)19-11-9-18(29)10-12-19/h2-16,23-25H,1H3/t23-,24-,25+/m1/s1
SMILES: C[C@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@@H]3CN(C)C[C@@H](C4=CC=C(C=C4)O)O)C
InChI: InChI=1S/C24H33NO4/c1-15-5-4-10-24(2)12-22-18(11-20(15)24)19(23(28)29-22)13-25(3)14-21(27)16-6-8-17(26)9-7-16/h6-9,11,15,18-19,21-22,26-27H,4-5,10,12-14H2,1-3H3/t15-,18+,19+,21-,22+,24+/m0/s1
SMILES: COC(=O)C1(C[C@@H]([C@@H](S1)COC(=O)C(C2=CC=CC=C2)O)I)C(=O)OC
InChI: InChI=1S/C17H19IO7S/c1-23-15(21)17(16(22)24-2)8-11(18)12(26-17)9-25-14(20)13(19)10-6-4-3-5-7-10/h3-7,11-13,19H,8-9H2,1-2H3/t11-,12-,13?/m0/s1
SMILES: C[C@H]1[C@@H]2CC[C@]3([C@@H](OC(=O)C(=C)[C@@H]3[C@H]2OC1=O)COS(=O)(=O)C)CI
InChI: InChI=1S/C16H21IO7S/c1-8-10-4-5-16(7-17)11(6-22-25(3,20)21)23-15(19)9(2)12(16)13(10)24-14(8)18/h8,10-13H,2,4-7H2,1,3H3/t8-,10-,11-,12+,13-,16+/m0/s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CSC3=CC(=C(C=C3Cl)Cl)Cl)C(=O)O)C[N+]4=CC=CC(=C4)C(=O)N
InChI: InChI=1S/C22H17Cl3N4O5S2/c23-12-4-14(25)15(5-13(12)24)35-9-16(30)27-17-20(32)29-18(22(33)34)11(8-36-21(17)29)7-28-3-1-2-10(6-28)19(26)31/h1-6,17,21H,7-9H2,(H3-,26,27,30,31,33,34)/p+1/t17-,21-/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H](N(C(=N2)C(Cl)Cl)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)C4=CC=CC=C4
InChI: InChI=1S/C23H17Cl2N3O5S/c24-22(25)23-26-19(15-9-3-1-4-10-15)20(21(29)16-11-5-2-6-12-16)27(23)34(32,33)18-14-8-7-13-17(18)28(30)31/h1-14,19-20,22H/t19-,20+/m1/s1
SMILES: COC1=CC=CC=C1C2=N[C@@H]([C@@H](N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C22H18Cl2N2O/c1-27-19-5-3-2-4-18(19)22-25-20(14-6-10-16(23)11-7-14)21(26-22)15-8-12-17(24)13-9-15/h2-13,20-21H,1H3,(H,25,26)/t20-,21+
SMILES: CC1=C(C(=CC=C1)[C@H]2C3=CCN4C(=O)N(C(=O)N4[C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C)C)C6=CC=CC=C6)O
InChI: InChI=1S/C29H27N3O5/c1-16-8-7-11-20(25(16)34)24-19-12-13-30-27(36)31(18-9-5-4-6-10-18)28(37)32(30)22(19)15-21-26(35)17(2)14-23(33)29(21,24)3/h4-12,14,21-22,24,34H,13,15H2,1-3H3/t21-,22+,24+,29-/m0/s1
SMILES: CC1(O[C@H]([C@@H](O1)[C@H]([C@H]2CCC(=O)[N+]2(C(=O)OC(C)(C)C)[Si](C)(C)C)O)CO)C.C(F)(F)(F)S(=O)(=O)[O-]
InChI: InChI=1S/C19H36NO7Si.CHF3O3S/c1-18(2,3)27-17(24)20(28(6,7)8)12(9-10-14(20)22)15(23)16-13(11-21)25-19(4,5)26-16;2-1(3,4)8(5,6)7/h12-13,15-16,21,23H,9-11H2,1-8H3;(H,5,6,7)/q+1;/p-1/t12-,13+,15+,16-,20?;/m1./s1
SMILES: CC(C)C1=CC2=C(CC1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)C(=O)OC)C
InChI: InChI=1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h13-14,18H,6-12H2,1-5H3/t18-,20-,21-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H](C[C@@](CC1=O)(C2=CC=C(C=C2)C)O)C=C(Cl)Cl
InChI: InChI=1S/C18H20Cl2O4/c1-3-24-17(22)16-12(8-15(19)20)9-18(23,10-14(16)21)13-6-4-11(2)5-7-13/h4-8,12,16,23H,3,9-10H2,1-2H3/t12-,16+,18+/m0/s1
SMILES: CC(=CCC1=C(C(=C2C(=C1O)C(=O)C3=C[C@H]4C[C@@H]5[C@]3(O2)[C@@](C4=O)(OC5(C)C)C/C=C(\C)/C=O)CC=C(C)C)O)C
InChI: InChI=1S/C33H38O7/c1-17(2)8-10-21-26(35)22(11-9-18(3)4)29-25(27(21)36)28(37)23-14-20-15-24-31(6,7)40-32(30(20)38,33(23,24)39-29)13-12-19(5)16-34/h8-9,12,14,16,20,24,35-36H,10-11,13,15H2,1-7H3/b19-12+/t20-,24-,32+,33-/m0/s1
SMILES: CC1=NN(C2=C1[C@H]3[C@@H](C2)C3(C)C)C(=O)C4=C(N=C(C=C4)OC)OC
InChI: InChI=1S/C18H21N3O3/c1-9-14-12(8-11-15(14)18(11,2)3)21(20-9)17(22)10-6-7-13(23-4)19-16(10)24-5/h6-7,11,15H,8H2,1-5H3/t11-,15-/m1/s1
SMILES: CN1[C@@H]2CCCC[C@H]2N(P1(=O)/C=C/C[C@@H]3CCC(=O)C3)C
InChI: InChI=1S/C16H27N2O2P/c1-17-15-7-3-4-8-16(15)18(2)21(17,20)11-5-6-13-9-10-14(19)12-13/h5,11,13,15-16H,3-4,6-10,12H2,1-2H3/b11-5+/t13-,15-,16-/m1/s1
SMILES: B1(O[C@H]2C[C@@H]3C[C@H]([C@]2(O1)C)C3(C)C)[C@H](CCC4=CC=C(C=C4)OC)NC(=O)[C@@H]5CCCN5C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)N
InChI: InChI=1S/C44H67BN6O12/c1-23(2)36(49-39(57)29(16-18-34(52)53)47-38(56)28(46)22-35(54)55)41(59)50-37(24(3)4)42(60)51-19-9-10-30(51)40(58)48-33(17-13-25-11-14-27(61-8)15-12-25)45-62-32-21-26-20-31(43(26,5)6)44(32,7)63-45/h11-12,14-15,23-24,26,28-33,36-37H,9-10,13,16-22,46H2,1-8H3,(H,47,56)(H,48,58)(H,49,57)(H,50,59)(H,52,53)(H,54,55)/t26-,28-,29-,30-,31-,32-,33-,36-,37-,44+/m0/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@](C2=O)(C#C[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O)C(=O)OCC6=CC=CC=C6)C
InChI: InChI=1S/C35H31NO4SSi/c1-34(2)30(31(37)40-25-26-15-7-3-8-16-26)36-32(38)35(39,33(36)41-34)23-24-42(27-17-9-4-10-18-27,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-22,30,33,39H,25H2,1-2H3/t30-,33+,35+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)[C@@H](/C=C/CC2=CC=CC=C2)O)C(C)C
InChI: InChI=1S/C20H30O/c1-15(2)18-13-12-16(3)14-19(18)20(21)11-7-10-17-8-5-4-6-9-17/h4-9,11,15-16,18-21H,10,12-14H2,1-3H3/b11-7+/t16-,18+,19-,20-/m1/s1
SMILES: CC(=O)CCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O[Si](C)(C)C(C)(C)C)OCC4=CC=CC=C4
InChI: InChI=1S/C37H46O8SSi/c1-26(38)22-23-31(39)41-25-30-32(42-24-27-16-10-7-11-17-27)33(45-47(5,6)37(2,3)4)34(44-35(40)28-18-12-8-13-19-28)36(43-30)46-29-20-14-9-15-21-29/h7-21,30,32-34,36H,22-25H2,1-6H3/t30-,32-,33+,34-,36+/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(C=C7)O)F)C8=CC=CC=C8)C9=CC(=CC=C9)Cl
InChI: InChI=1S/C46H37ClFN5O5/c1-51(2)31-16-12-29(13-17-31)49-50-30-14-18-32(19-15-30)52-42(55)35-21-20-34-36(40(35)44(52)57)25-37-43(56)53(33-10-6-9-28(47)24-33)45(58)46(37,27-7-4-3-5-8-27)41(34)26-11-22-39(54)38(48)23-26/h3-20,22-24,35-37,40-41,54H,21,25H2,1-2H3/t35-,36+,37-,40-,41-,46+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C
InChI: InChI=1S/C26H28N2O3/c1-17-11-13-19(14-12-17)24-15-21(20-8-4-6-10-23(20)27-24)26(30)31-16-25(29)28-22-9-5-3-7-18(22)2/h4,6,8,10-15,18,22H,3,5,7,9,16H2,1-2H3,(H,28,29)/t18-,22+/m1/s1
SMILES: CC(=CC[C@H]1[C@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)/C=C/C4=CC(=C(C(=C4)OC)OCCOCCO)OC)OC)C
InChI: InChI=1S/C31H44O10/c1-20(2)7-9-25-30(3,41-25)29-28(36-6)22(11-12-31(29)19-39-31)40-26(33)10-8-21-17-23(34-4)27(24(18-21)35-5)38-16-15-37-14-13-32/h7-8,10,17-18,22,25,28-29,32H,9,11-16,19H2,1-6H3/b10-8+/t22-,25+,28-,29-,30-,31+/m1/s1
SMILES: CC1=CC=C(C=C1)SC[C@H](C[C@]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)OC
InChI: InChI=1S/C45H50O7S/c1-34-23-25-40(26-24-34)53-33-39(47-2)27-45(46)44(51-31-38-21-13-6-14-22-38)43(50-30-37-19-11-5-12-20-37)42(49-29-36-17-9-4-10-18-36)41(52-45)32-48-28-35-15-7-3-8-16-35/h3-26,39,41-44,46H,27-33H2,1-2H3/t39-,41+,42+,43-,44+,45-/m0/s1
SMILES: CC1=C(C(CCC1=O)(C)C)/C=C/C(=C\C=C\C(=C\C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)\C)/C
InChI: InChI=1S/C26H34O9/c1-14(9-10-17-16(3)18(27)11-12-26(17,4)5)7-6-8-15(2)13-19(28)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h6-10,13,20-23,25,29-31H,11-12H2,1-5H3,(H,32,33)/b8-6+,10-9+,14-7-,15-13+/t20-,21-,22+,23-,25+/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC(=C4)CNC(=O)[C@@H](CC5=CC=CC=C5)NS(=O)(=O)C6=CC=C(C=C6)C)CN7CCCCCCC7
InChI: InChI=1S/C49H57N3O6S/c1-35-16-26-44(27-17-35)59(55,56)51-45(31-37-12-7-6-8-13-37)48(54)50-32-39-14-11-15-43(30-39)40-22-24-42(25-23-40)49-57-46(33-52-28-9-4-3-5-10-29-52)36(2)47(58-49)41-20-18-38(34-53)19-21-41/h6-8,11-27,30,36,45-47,49,51,53H,3-5,9-10,28-29,31-34H2,1-2H3,(H,50,54)/t36-,45+,46+,47+,49+/m0/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](CC(CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CN=CC=C5
InChI: InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28?,29-,31-,32+,33-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NS(=O)(=O)C2=CC3=C4C(=C2)CCC(=O)N4CCC3
InChI: InChI=1S/C19H26N2O3S/c1-13-5-2-3-7-17(13)20-25(23,24)16-11-14-6-4-10-21-18(22)9-8-15(12-16)19(14)21/h11-13,17,20H,2-10H2,1H3/t13-,17-/m0/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C6=C(C=C(C=C6OC)O)OC)C(=O)N(C5=O)C7=CC=C(C=C7)[N+](=O)[O-])C(=O)N(C3=O)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C41H34Cl2N4O10/c1-55-25-11-4-20(5-12-25)41-29(38(50)46(40(41)52)44-31-15-6-21(42)16-30(31)43)19-28-26(36(41)35-32(56-2)17-24(48)18-33(35)57-3)13-14-27-34(28)39(51)45(37(27)49)22-7-9-23(10-8-22)47(53)54/h4-13,15-18,27-29,34,36,44,48H,14,19H2,1-3H3/t27-,28+,29-,34-,36+,41+/m0/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)C(=O)[O-]
InChI: InChI=1S/C19H16N2O4/c22-19(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)20-18/h1-2,4-10,14-15,18,20H,3H2,(H,22,23)/p-1/t14-,15+,18-/m0/s1
SMILES: C[N+]1(CC[C@@]23C=CC[C@H]([C@H]2OC4=C(C=CC(=C34)C1)OC)O)C
InChI: InChI=1S/C18H24NO3/c1-19(2)10-9-18-8-4-5-13(20)17(18)22-16-14(21-3)7-6-12(11-19)15(16)18/h4,6-8,13,17,20H,5,9-11H2,1-3H3/q+1/t13-,17-,18-/m1/s1
SMILES: CCOC(=O)C1=C(SC(=C1)C)NC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C(=O)O)C=C3
InChI: InChI=1S/C17H19NO5S/c1-3-23-17(22)11-6-8(2)24-15(11)18-14(19)12-9-4-5-10(7-9)13(12)16(20)21/h4-6,9-10,12-13H,3,7H2,1-2H3,(H,18,19)(H,20,21)/t9-,10+,12-,13+/m1/s1
SMILES: C1[C@H]([C@H](CS1(=O)=O)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4)O
InChI: InChI=1S/C18H18N4O3S2/c23-15-11-27(24,25)12-16(15)26-18-21-20-17(14-6-8-19-9-7-14)22(18)10-13-4-2-1-3-5-13/h1-9,15-16,23H,10-12H2/t15-,16+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)N2C[C@@H](CC2=O)C(=O)O[C@H](C)C(=O)C3=C(C(=C(N3)C)C(=O)C)C
InChI: InChI=1S/C24H34N2O5/c1-12-8-7-9-19(13(12)2)26-11-18(10-20(26)28)24(30)31-17(6)23(29)22-14(3)21(16(5)27)15(4)25-22/h12-13,17-19,25H,7-11H2,1-6H3/t12-,13-,17+,18+,19+/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)C(=O)NC2=CC=C(C=C2)OCCC3=CC=CC=C3)C(=O)O
InChI: InChI=1S/C22H25NO4/c24-21(19-8-4-5-9-20(19)22(25)26)23-17-10-12-18(13-11-17)27-15-14-16-6-2-1-3-7-16/h1-3,6-7,10-13,19-20H,4-5,8-9,14-15H2,(H,23,24)(H,25,26)/t19-,20-/m1/s1
SMILES: CCCCNC(=O)C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=C(C=C4[C@H]3CC[C@@]2(C1=O)C)CC)O
InChI: InChI=1S/C26H37NO3/c1-4-6-11-27-24(29)15-18-13-22-20-8-7-17-14-23(28)16(5-2)12-21(17)19(20)9-10-26(22,3)25(18)30/h12,14,18-20,22,28H,4-11,13,15H2,1-3H3,(H,27,29)/t18-,19+,20-,22+,26+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)Br
InChI: InChI=1S/C18H22BrNO3/c1-13-5-2-3-8-16(13)20-17(21)12-23-18(22)10-9-14-6-4-7-15(19)11-14/h4,6-7,9-11,13,16H,2-3,5,8,12H2,1H3,(H,20,21)/b10-9+/t13-,16-/m1/s1
SMILES: C[C@@]1(CCC(=C[C@H]1N(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](C=C)O
InChI: InChI=1S/C18H35NO2Si/c1-10-16(20)18(5)12-11-14(13-15(18)19(6)7)21-22(8,9)17(2,3)4/h10,13,15-16,20H,1,11-12H2,2-9H3/t15-,16-,18+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)O[C@H]3C[C@@H](O[C@@H]3CO)N4C=CC(=NC4=O)N)O
InChI: InChI=1S/C19H26N5O10PS/c1-9-6-24(19(29)22-17(9)27)15-4-10(26)13(33-15)8-31-35(30,36)34-11-5-16(32-12(11)7-25)23-3-2-14(20)21-18(23)28/h2-3,6,10-13,15-16,25-26H,4-5,7-8H2,1H3,(H,30,36)(H2,20,21,28)(H,22,27,29)/t10-,11-,12+,13+,15+,16+,35?/m0/s1
SMILES: C[C@]12CCC(=O)CC1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C
InChI: InChI=1S/C19H28O2/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/h12,14-16H,3-11H2,1-2H3/t12?,14-,15-,16-,18-,19-/m0/s1
SMILES: C1CCCC2(CC1)[C@]3([C@@]2([C@@]4(N=C3N)OCCS4)C#N)C#N
InChI: InChI=1S/C15H18N4OS/c16-9-13-11(18)19-15(20-7-8-21-15)14(13,10-17)12(13)5-3-1-2-4-6-12/h1-8H2,(H2,18,19)/t13-,14+,15+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC4=C(NNC24O)C5=CN=CC=C5)CCC6=C3C=CC(=C6)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C30H41N3O2Si/c1-28(2,3)36(5,6)35-21-10-12-22-19(16-21)9-11-24-23(22)13-14-29(4)25(24)17-26-27(32-33-30(26,29)34)20-8-7-15-31-18-20/h7-8,10,12,15-16,18,23-25,32-34H,9,11,13-14,17H2,1-6H3/t23-,24-,25+,29+,30?/m1/s1
SMILES: CC(=CCCC(C1CC[C@]2([C@]1(CCC3=C2CCC4[C@@]3(CCC(C4(C)C)OC(=O)C)C)C)C)C(=O)O)C
InChI: InChI=1S/C32H50O4/c1-20(2)10-9-11-22(28(34)35)23-14-18-32(8)25-12-13-26-29(4,5)27(36-21(3)33)16-17-30(26,6)24(25)15-19-31(23,32)7/h10,22-23,26-27H,9,11-19H2,1-8H3,(H,34,35)/t22?,23?,26?,27?,30-,31+,32-/m1/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@@H](C(=NO2)C3=CC4=CC=CC=C4C=C3)C(=O)OCC5(C(=O)NC(=O)NC5=O)C6=CC=CC=C6
InChI: InChI=1S/C31H23N3O6/c35-27(39-18-31(23-13-5-2-6-14-23)28(36)32-30(38)33-29(31)37)24-25(34-40-26(24)20-10-3-1-4-11-20)22-16-15-19-9-7-8-12-21(19)17-22/h1-17,24,26H,18H2,(H2,32,33,36,37,38)/t24-,26+/m1/s1
SMILES: C1=CC=C2C3[C@@H]4[C@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)NC(=O)C6=CC=CC=C6F
InChI: InChI=1S/C25H17FN2O3/c26-18-12-6-5-11-17(18)23(29)27-28-24(30)21-19-13-7-1-2-8-14(13)20(22(21)25(28)31)16-10-4-3-9-15(16)19/h1-12,19-22H,(H,27,29)/t19?,20?,21-,22+
SMILES: C[C@H]1[C@@H]2[C@@H](N(C(=O)N([C@H]2N(C(=O)N1C)CO)C)CO)C
InChI: InChI=1S/C12H22N4O4/c1-7-9-8(2)15(5-17)12(20)14(4)10(9)16(6-18)11(19)13(7)3/h7-10,17-18H,5-6H2,1-4H3/t7-,8-,9+,10-/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H]2NC3=CC=CC=C3C(=O)N2C4=CC=CC=C14
InChI: InChI=1S/C17H14N2O3/c1-10(20)22-15-12-7-3-5-9-14(12)19-16(15)18-13-8-4-2-6-11(13)17(19)21/h2-9,15-16,18H,1H3/t15-,16-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC5=C(C4)N=C6C[C@@H]7CC[C@H]8[C@@H]9CC[C@@H]([C@]9(CC[C@@H]8[C@]7(CC6=N5)C)C)[C@H](C)CCCC(C)C)C)C
InChI: InChI=1S/C54H88N2/c1-33(2)13-11-15-35(5)41-21-23-43-39-19-17-37-29-47-49(31-53(37,9)45(39)25-27-51(41,43)7)56-50-32-54(10)38(30-48(50)55-47)18-20-40-44-24-22-42(36(6)16-12-14-34(3)4)52(44,8)28-26-46(40)54/h33-46H,11-32H2,1-10H3/t35-,36-,37+,38+,39+,40+,41-,42-,43+,44+,45+,46+,51-,52-,53+,54+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)C(=O)OC
InChI: InChI=1S/C20H25NO5/c1-14-5-3-4-6-17(14)21-18(22)13-26-19(23)12-9-15-7-10-16(11-8-15)20(24)25-2/h7-12,14,17H,3-6,13H2,1-2H3,(H,21,22)/b12-9+/t14-,17-/m1/s1
SMILES: C1OC2=C(O1)C=C3[C@H]4[C@H]([C@H]([C@@H](C3=C2)O4)CO)CO
InChI: InChI=1S/C13H14O5/c14-3-8-9(4-15)13-7-2-11-10(16-5-17-11)1-6(7)12(8)18-13/h1-2,8-9,12-15H,3-5H2/t8-,9+,12-,13+
SMILES: CCCC[C@@H](C(=O)OC(C)C)N1C(=O)[C@@H]2[C@H](C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35
InChI: InChI=1S/C27H29NO4/c1-4-5-14-20(27(31)32-15(2)3)28-25(29)23-21-16-10-6-7-11-17(16)22(24(23)26(28)30)19-13-9-8-12-18(19)21/h6-13,15,20-24H,4-5,14H2,1-3H3/t20-,21?,22?,23-,24+/m0/s1
SMILES: C[C@H]1[C@H](O[C@H]([C@@H]([C@H]1O)C)/C(=C/[C@@H]2COC(N2C(=O)OC(C)(C)C)(C)C)/C)CC(=O)OC
InChI: InChI=1S/C23H39NO7/c1-13(20-15(3)19(26)14(2)17(30-20)11-18(25)28-9)10-16-12-29-23(7,8)24(16)21(27)31-22(4,5)6/h10,14-17,19-20,26H,11-12H2,1-9H3/b13-10+/t14-,15+,16+,17+,19-,20-/m0/s1
SMILES: C/C=C\CC1=C([C@H](CC1=O)OC(=O)[C@@H]2[C@H](C2(C)C)/C=C(\C)/C(=O)OC)C
InChI: InChI=1S/C21H28O5/c1-7-8-9-14-13(3)17(11-16(14)22)26-20(24)18-15(21(18,4)5)10-12(2)19(23)25-6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7-,12-10+/t15-,17+,18+/m1/s1
SMILES: CN(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=CC=C5OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N)C(=O)OCCOC)CC8=CC=CC=C8
InChI: InChI=1S/C50H48N4O9/c1-52(32-34-15-6-3-7-16-34)26-14-17-33-24-25-39-38(31-33)50(48(58)53(39)49(59)62-30-29-60-2)41(46(51)56)43-47(57)63-44(36-20-10-5-11-21-36)42(35-18-8-4-9-19-35)54(43)45(50)37-22-12-13-23-40(37)61-28-27-55/h3-13,15-16,18-25,31,41-45,55H,26-30,32H2,1-2H3,(H2,51,56)/t41-,42-,43-,44+,45+,50-/m0/s1
SMILES: COC1=CC(=C(C=C1)NC(=O)OC2=CC3=C(C=C2)O[C@@]4([C@H](CC(=NOC)C5=C[C@@H]([C@H]([C@H]3[C@@H]54)CCCCO)CCCCO)N(CCOCCO)C(=O)OC)OCC=C)OC
InChI: InChI=1S/C43H59N3O13/c1-6-21-57-43-38(46(42(51)54-4)17-22-56-23-20-49)27-35(45-55-5)32-24-28(11-7-9-18-47)31(12-8-10-19-48)39(40(32)43)33-25-30(14-16-36(33)59-43)58-41(50)44-34-15-13-29(52-2)26-37(34)53-3/h6,13-16,24-26,28,31,38-40,47-49H,1,7-12,17-23,27H2,2-5H3,(H,44,50)/t28-,31+,38-,39+,40+,43+/m0/s1
SMILES: CC[C@H]1C[NH+]2CC[C@H]1C[C@@H]2COC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4
InChI: InChI=1S/C23H28N2O3/c1-2-17-15-25-13-12-18(17)14-20(25)16-27-23(26)24-19-8-10-22(11-9-19)28-21-6-4-3-5-7-21/h3-11,17-18,20H,2,12-16H2,1H3,(H,24,26)/p+1/t17-,18-,20+/m0/s1
SMILES: CCOC(=O)[C@@]12C[C@]3(C(=O)C(=C([C@@]1([C@]3(C=C(N2)C(=O)OC)C#N)O)Cl)Cl)C#N
InChI: InChI=1S/C17H13Cl2N3O6/c1-3-28-13(25)16-5-14(6-20)11(23)9(18)10(19)17(16,26)15(14,7-21)4-8(22-16)12(24)27-2/h4,22,26H,3,5H2,1-2H3/t14-,15-,16+,17+/m1/s1
SMILES: C1C[C@@H]2C=C[C@H]1[C@@H]([C@@H]2C(=O)O)C(=O)NCC3=CC=CS3
InChI: InChI=1S/C15H17NO3S/c17-14(16-8-11-2-1-7-20-11)12-9-3-5-10(6-4-9)13(12)15(18)19/h1-3,5,7,9-10,12-13H,4,6,8H2,(H,16,17)(H,18,19)/t9-,10+,12+,13-/m1/s1
SMILES: C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C19H20N2O6/c1-11(20-17(22)15-8-3-4-9-16(15)18(20)23)19(24)27-12(2)13-6-5-7-14(10-13)21(25)26/h3-7,10-12,15-16H,8-9H2,1-2H3/t11-,12+,15-,16+/m0/s1
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@@](O3)(CO)O)O)O)CO)O)O)O)O
InChI: InChI=1S/C18H32O16/c19-1-5-8(22)10(24)12(26)17(31-5)33-14-6(2-20)32-16(13(27)11(14)25)30-3-7-9(23)15(28)18(29,4-21)34-7/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10+,11-,12-,13-,14+,15+,16-,17-,18+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H]([C@@H](O1)NC(=S)NN2C(=O)C3=CC=CC=C3NC2=O)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C23H26N4O11S/c1-10(28)34-9-16-17(35-11(2)29)18(36-12(3)30)19(37-13(4)31)20(38-16)25-22(39)26-27-21(32)14-7-5-6-8-15(14)24-23(27)33/h5-8,16-20H,9H2,1-4H3,(H,24,33)(H2,25,26,39)/t16-,17-,18-,19+,20-/m1/s1
SMILES: C1CC[NH+](CC1)CCNC(=O)[C@@H]2C[C@H]([C@@H]([C@H]3[C@@H]2N(C(=S)N3)C4=CC=CC=C4)O)O
InChI: InChI=1S/C21H30N4O3S/c26-16-13-15(20(28)22-9-12-24-10-5-2-6-11-24)18-17(19(16)27)23-21(29)25(18)14-7-3-1-4-8-14/h1,3-4,7-8,15-19,26-27H,2,5-6,9-13H2,(H,22,28)(H,23,29)/p+1/t15-,16-,17-,18-,19+/m1/s1
SMILES: CC(C)(C)ON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OCCSC5=CC=CC=C5)CCCCO)CCCCO)OCC=C)N(CC6=CC7=C(C=C6)OCO7)C(=O)OCCCl
InChI: InChI=1S/C50H63ClN2O10S/c1-5-24-61-50-45(53(48(56)58-25-21-51)32-34-17-19-43-44(28-34)60-33-59-43)31-41(52-63-49(2,3)4)39-29-35(13-9-11-22-54)38(16-10-12-23-55)46(47(39)50)40-30-36(18-20-42(40)62-50)57-26-27-64-37-14-7-6-8-15-37/h5-8,14-15,17-20,28-30,35,38,45-47,54-55H,1,9-13,16,21-27,31-33H2,2-4H3/t35-,38+,45-,46+,47+,50+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3
InChI: InChI=1S/C24H38N2O4/c1-15-4-3-5-20(16(15)2)26-22(28)14-30-23(29)13-25-21(27)12-24-9-17-6-18(10-24)8-19(7-17)11-24/h15-20H,3-14H2,1-2H3,(H,25,27)(H,26,28)/t15-,16+,17?,18?,19?,20-,24?/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1N2C(=NN=C2SCC(=O)NCC(C)C)C3=CC=C(C=C3)OC
InChI: InChI=1S/C22H32N4O2S/c1-15(2)13-23-20(27)14-29-22-25-24-21(17-9-11-18(28-4)12-10-17)26(22)19-8-6-5-7-16(19)3/h9-12,15-16,19H,5-8,13-14H2,1-4H3,(H,23,27)/t16-,19-/m0/s1
SMILES: CCCCC[C@@H](C=C[C@H]1[C@@H](C[C@@H]([C@@H]1CC=CCCCC(=O)O)O)OC(C)OCC)OC(C)OCC
InChI: InChI=1S/C28H50O7/c1-6-9-12-15-23(34-21(4)32-7-2)18-19-25-24(16-13-10-11-14-17-28(30)31)26(29)20-27(25)35-22(5)33-8-3/h10,13,18-19,21-27,29H,6-9,11-12,14-17,20H2,1-5H3,(H,30,31)/t21?,22?,23-,24+,25+,26-,27+/m0/s1
SMILES: CC1=C(C=CC2=C1N=C(C=C2O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C)NC(=O)NC4CCCC4)C(=O)N[C@@]5(C[C@H]5C=C)C(=O)O)C6=CSC(=N6)NC)OC
InChI: InChI=1S/C38H49N7O7S/c1-8-21-17-38(21,34(48)49)44-32(46)27-15-23(18-45(27)33(47)31(37(3,4)5)43-35(50)40-22-11-9-10-12-22)52-29-16-25(26-19-53-36(39-6)42-26)41-30-20(2)28(51-7)14-13-24(29)30/h8,13-14,16,19,21-23,27,31H,1,9-12,15,17-18H2,2-7H3,(H,39,42)(H,44,46)(H,48,49)(H2,40,43,50)/t21-,23-,27+,31-,38-/m1/s1