EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC1=CC[C@@H]([C@H](C1)C(=O)O)C(=O)NC2=NC3=CC=CC=C3S2
InChI: InChI=1S/C16H16N2O3S/c1-9-6-7-10(11(8-9)15(20)21)14(19)18-16-17-12-4-2-3-5-13(12)22-16/h2-6,10-11H,7-8H2,1H3,(H,20,21)(H,17,18,19)/t10-,11-/m0/s1
SMILES: COC1=CC(=C(C(=C1)OC)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)C7=CC=C(C=C7)[N+](=O)[O-])O
InChI: InChI=1S/C34H26Cl2FN3O9/c1-48-20-13-24(41)27(25(14-20)49-2)28-21-11-12-22-26(30(43)38(29(22)42)17-7-9-19(10-8-17)40(46)47)23(21)15-33(35)31(44)39(32(45)34(28,33)36)18-5-3-16(37)4-6-18/h3-11,13-14,22-23,26,28,41H,12,15H2,1-2H3/t22-,23+,26-,28+,33+,34-/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC(=C(C(=C5)Br)O)OC)C(=O)N(C4=O)CC6=CC=CS6)C(=O)N(C2=O)C7=CC(=C(C=C7)F)Cl
InChI: InChI=1S/C33H27BrClFN2O6S/c1-33-21(30(41)38(32(33)43)16-5-8-24(36)23(35)12-16)13-20-18(27(33)15-10-22(34)28(39)25(11-15)44-2)6-7-19-26(20)31(42)37(29(19)40)14-17-4-3-9-45-17/h3-6,8-12,19-21,26-27,39H,7,13-14H2,1-2H3/t19-,20+,21-,26-,27-,33+/m0/s1
SMILES: CC1(O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]2O1)N3C=NC4=C(N=CN=C43)N)O)COCC5=CC=C(C=C5)OC)C
InChI: InChI=1S/C22H27N5O5/c1-22(2)31-18-14(9-30-8-12-4-6-13(29-3)7-5-12)17(28)16(19(18)32-22)27-11-26-15-20(23)24-10-25-21(15)27/h4-7,10-11,14,16-19,28H,8-9H2,1-3H3,(H2,23,24,25)/t14-,16+,17-,18+,19-/m0/s1
SMILES: C1C=C2[C@@H](CC3=C([C@H]2C4=CC=CC=C4O)C(=O)C=C(C3=O)Br)[C@@H]5[C@H]1C(=O)N(C5=O)C6=CC=C(C=C6)C(=O)C7=CC=CC=C7
InChI: InChI=1S/C35H24BrNO6/c36-26-17-28(39)31-25(33(26)41)16-24-21(29(31)22-8-4-5-9-27(22)38)14-15-23-30(24)35(43)37(34(23)42)20-12-10-19(11-13-20)32(40)18-6-2-1-3-7-18/h1-14,17,23-24,29-30,38H,15-16H2/t23-,24+,29+,30-/m0/s1
SMILES: CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=C(C=CC6=CC=CC=C65)O)C7=CC=CC=C7)NC8=CC=C(C=C8)C
InChI: InChI=1S/C39H35N3O5/c1-3-41-35(44)28-19-18-27-29(32(28)37(41)46)21-30-36(45)42(40-25-16-13-22(2)14-17-25)38(47)39(30,24-10-5-4-6-11-24)34(27)33-26-12-8-7-9-23(26)15-20-31(33)43/h4-18,20,28-30,32,34,40,43H,3,19,21H2,1-2H3/t28-,29+,30-,32-,34+,39+/m0/s1
SMILES: C1=CC=C2C(=C1)C(=O)[C@@H]3C=CC=C([C@@H]3C2=O)NC[C@@H](CCl)O
InChI: InChI=1S/C17H16ClNO3/c18-8-10(20)9-19-14-7-3-6-13-15(14)17(22)12-5-2-1-4-11(12)16(13)21/h1-7,10,13,15,19-20H,8-9H2/t10-,13-,15-/m1/s1
SMILES: C1CC[C@H]([C@H](C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)F)C(=O)O
InChI: InChI=1S/C19H25FN2O3/c20-15-5-3-4-14(12-15)13-21-8-10-22(11-9-21)18(23)16-6-1-2-7-17(16)19(24)25/h3-5,12,16-17H,1-2,6-11,13H2,(H,24,25)/t16-,17+/m0/s1
SMILES: C[C@@H]1/C=C(/C=C(/C=C(/C(=O)O[C@@H](C[C@@H]([C@H](CC/C=C(/C=C/[C@H]1O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C)OC)O)O)\C)O)OC)CO)\C)\C)\C
InChI: InChI=1S/C33H52O10/c1-19-10-9-11-26(35)28(39-7)17-25(18-34)42-32(38)23(5)16-21(3)14-20(2)15-22(4)27(13-12-19)43-33-30(37)29(36)31(40-8)24(6)41-33/h10,12-16,22,24-31,33-37H,9,11,17-18H2,1-8H3/b13-12+,19-10+,20-15+,21-14+,23-16+/t22-,24+,25+,26+,27-,28+,29+,30+,31+,33+/m1/s1
SMILES: C1[C@H]([C@@H]1C(=O)N/N=C\C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3
InChI: InChI=1S/C17H15N3O3/c21-17(15-10-14(15)12-6-2-1-3-7-12)19-18-11-13-8-4-5-9-16(13)20(22)23/h1-9,11,14-15H,10H2,(H,19,21)/b18-11-/t14-,15+/m0/s1
SMILES: CC[C@]1(CC[C@H]([C@@H]2[C@H]1[C@H]3C[C@@H]2C=C3)O[Si](C)(C)C(C)(C)C)CC(=O)N(C)C
InChI: InChI=1S/C23H41NO2Si/c1-9-23(15-19(25)24(5)6)13-12-18(26-27(7,8)22(2,3)4)20-16-10-11-17(14-16)21(20)23/h10-11,16-18,20-21H,9,12-15H2,1-8H3/t16-,17+,18+,20+,21+,23-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1CC2=NOC[C@@H]2[C@@H]1OCOC
InChI: InChI=1S/C14H27NO4Si/c1-14(2,3)20(5,6)19-12-7-11-10(8-18-15-11)13(12)17-9-16-4/h10,12-13H,7-9H2,1-6H3/t10-,12+,13-/m0/s1
SMILES: CCOC(=O)[C@H]1C[C@]2(C3=C(C=CC(=C3)Br)NC2=O)[NH+]4[C@H]1CCC4
InChI: InChI=1S/C17H19BrN2O3/c1-2-23-15(21)11-9-17(20-7-3-4-14(11)20)12-8-10(18)5-6-13(12)19-16(17)22/h5-6,8,11,14H,2-4,7,9H2,1H3,(H,19,22)/p+1/t11-,14-,17+/m0/s1
SMILES: CC1([C@@H]2CC[C@]1([C@](C2)(CCNC(=O)C3=CC=CC=C3)O)CS(=O)(=O)N4CCC5(CC4)C=CC6=CC=CC=C56)C
InChI: InChI=1S/C32H40N2O4S/c1-29(2)26-13-15-31(29,32(36,22-26)16-19-33-28(35)25-9-4-3-5-10-25)23-39(37,38)34-20-17-30(18-21-34)14-12-24-8-6-7-11-27(24)30/h3-12,14,26,36H,13,15-23H2,1-2H3,(H,33,35)/t26-,31+,32-/m1/s1
SMILES: COCCOC(=O)N1C2=C(C=C(C=C2)C#CCNC(=O)N)[C@@]3(C1=O)[C@H]([C@@H]4C(=O)O[C@H]([C@H](N4[C@H]3C5=CC=C(C=C5)O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N8CCC9=CC(=C(C=C9C8)OC)OC
InChI: InChI=1S/C52H49N5O11/c1-64-25-26-67-51(63)56-39-21-16-31(11-10-23-54-50(53)62)27-38(39)52(49(56)61)42(47(59)55-24-22-35-28-40(65-2)41(66-3)29-36(35)30-55)44-48(60)68-45(33-14-8-5-9-15-33)43(32-12-6-4-7-13-32)57(44)46(52)34-17-19-37(58)20-18-34/h4-9,12-21,27-29,42-46,58H,22-26,30H2,1-3H3,(H3,53,54,62)/t42-,43-,44-,45+,46+,52-/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)OC(=O)C2=CC=CC=C2Cl
InChI: InChI=1S/C14H17ClO7/c1-20-14-12(11(18)10(17)9(6-16)21-14)22-13(19)7-4-2-3-5-8(7)15/h2-5,9-12,14,16-18H,6H2,1H3/t9-,10-,11+,12-,14+/m1/s1
SMILES: CC(=O)O[C@]1(CN2CC[C@@H]1C3=CC=CC=C32)CC4=CC=CC=C4
InChI: InChI=1S/C20H21NO2/c1-15(22)23-20(13-16-7-3-2-4-8-16)14-21-12-11-18(20)17-9-5-6-10-19(17)21/h2-10,18H,11-14H2,1H3/t18-,20+/m1/s1
SMILES: CCCCCCCCCCCC(=O)N(CCC)[C@H]1CC(=NOCC2=CC=CC=C2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC(=O)NC6=C(C=C(C=C6)OC)OC)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C58H81N3O10/c1-6-9-10-11-12-13-14-15-19-28-54(64)61(33-7-2)53-40-50(60-69-41-42-24-17-16-18-25-42)47-37-43(26-20-22-34-62)46(27-21-23-35-63)55-48-38-45(30-32-51(48)71-58(53,56(47)55)68-36-8-3)70-57(65)59-49-31-29-44(66-4)39-52(49)67-5/h8,16-18,24-25,29-32,37-39,43,46,53,55-56,62-63H,3,6-7,9-15,19-23,26-28,33-36,40-41H2,1-2,4-5H3,(H,59,65)/t43-,46+,53-,55+,56+,58+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@]2(C[C@@]2(C3=CC=CC=C3)OC(=O)C)C4=CC=CC=C4
InChI: InChI=1S/C24H23NO4S/c1-18-13-15-22(16-14-18)30(27,28)25-23(20-9-5-3-6-10-20)17-24(23,29-19(2)26)21-11-7-4-8-12-21/h3-16,25H,17H2,1-2H3/t23-,24+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H]([C@H]([C@@H](O3)SC4=CC=CC=C4)OCC=C)OCC5=CC=CC=C5
InChI: InChI=1S/C30H32O6S/c1-3-18-32-28-27(33-19-21-10-6-4-7-11-21)26-25(35-30(28)37-24-12-8-5-9-13-24)20-34-29(36-26)22-14-16-23(31-2)17-15-22/h3-17,25-30H,1,18-20H2,2H3/t25-,26-,27+,28-,29-,30+/m1/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCCC4)C)O)C
InChI: InChI=1S/C24H40O3/c1-15(7-10-21(26)27)17-8-9-18-22-19(11-13-24(17,18)3)23(2)12-5-4-6-16(23)14-20(22)25/h15-20,22,25H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17-,18+,19+,20-,22+,23+,24-/m1/s1
SMILES: C1CC2=CC=CC=C2C3=NC4=CC=CC=C4S[C@H]([C@H]31)C5=CC=CO5
InChI: InChI=1S/C21H17NOS/c1-2-7-15-14(6-1)11-12-16-20(15)22-17-8-3-4-10-19(17)24-21(16)18-9-5-13-23-18/h1-10,13,16,21H,11-12H2/t16-,21+/m0/s1
SMILES: CO[C@@H]1[C@H]2[C@H]([C@@H]3[C@H]([C@@H]1O[C@@H](O2)O3)OCC4=CC=CC=C4)N
InChI: InChI=1S/C15H19NO5/c1-17-12-10-9(16)11-13(14(12)21-15(19-10)20-11)18-7-8-5-3-2-4-6-8/h2-6,9-15H,7,16H2,1H3/t9-,10-,11-,12-,13-,14-,15+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)CSC2=NN=C(N2C)CCC(=O)N
InChI: InChI=1S/C16H27N5O2S/c1-10-5-4-6-12(11(10)2)18-15(23)9-24-16-20-19-14(21(16)3)8-7-13(17)22/h10-12H,4-9H2,1-3H3,(H2,17,22)(H,18,23)/t10-,11-,12+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(S1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C16H22O10S/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15-,16?/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@@H](C1)OC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C)C(C)C
InChI: InChI=1S/C21H29NO5/c1-13(2)18-10-5-14(3)11-19(18)27-20(24)12-26-21(25)16-6-8-17(9-7-16)22-15(4)23/h6-9,13-14,18-19H,5,10-12H2,1-4H3,(H,22,23)/t14-,18+,19+/m0/s1
SMILES: CCCCCCCCCC[C@H]1CCC[C@H]2N1[C@H]([C@@H](CC2)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C
InChI: InChI=1S/C36H57NOSi/c1-6-7-8-9-10-11-12-15-21-31-22-20-23-32-28-29-35(30(2)37(31)32)38-39(36(3,4)5,33-24-16-13-17-25-33)34-26-18-14-19-27-34/h13-14,16-19,24-27,30-32,35H,6-12,15,20-23,28-29H2,1-5H3/t30-,31-,32+,35+/m0/s1
SMILES: CC1=CC(=NC(=N1)N2[C@@]3(C[C@H]4[C@@H]([C@H]3C(=N2)C)C4(C)C)O)C
InChI: InChI=1S/C16H22N4O/c1-8-6-9(2)18-14(17-8)20-16(21)7-11-13(15(11,4)5)12(16)10(3)19-20/h6,11-13,21H,7H2,1-5H3/t11-,12+,13-,16-/m0/s1
SMILES: COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H](C3C(O3)C4=CC5=C(C=C24)OCO5)C(=O)OC
InChI: InChI=1S/C22H22O8/c1-24-15-5-10(6-16(25-2)20(15)26-3)17-11-7-13-14(29-9-28-13)8-12(11)19-21(30-19)18(17)22(23)27-4/h5-8,17-19,21H,9H2,1-4H3/t17-,18+,19?,21?/m1/s1
SMILES: CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)C[N+]23CC[C@@H](C[C@H]2[C@@H](C4=CC=NC5=CC=CC=C45)OCC6=CC=CC=C6)[C@H](C3)C=C.[Br-]
InChI: InChI=1S/C42H53N2O2.BrH/c1-9-31-27-44(26-30-23-35(41(2,3)4)40(45-8)36(24-30)42(5,6)7)22-20-32(31)25-38(44)39(46-28-29-15-11-10-12-16-29)34-19-21-43-37-18-14-13-17-33(34)37;/h9-19,21,23-24,31-32,38-39H,1,20,22,25-28H2,2-8H3;1H/q+1;/p-1/t31-,32-,38-,39+,44?;/m0./s1
SMILES: CC1=CC(=C(C=C1)C)[C@H]2CN3CCC4=CC(=C(C=C4[C@@H]3C[C@@H]2N)OC)O
InChI: InChI=1S/C22H28N2O2/c1-13-4-5-14(2)16(8-13)18-12-24-7-6-15-9-21(25)22(26-3)10-17(15)20(24)11-19(18)23/h4-5,8-10,18-20,25H,6-7,11-12,23H2,1-3H3/t18-,19+,20+/m1/s1
SMILES: C1C[C@@H]2[C@@H](C3=CC=CC=C3C1)OCCN2C(=O)C4=CC=CC=C4
InChI: InChI=1S/C20H21NO2/c22-20(16-8-2-1-3-9-16)21-13-14-23-19-17-11-5-4-7-15(17)10-6-12-18(19)21/h1-5,7-9,11,18-19H,6,10,12-14H2/t18-,19-/m1/s1
SMILES: CC1=C2[C@H]([C@@H](CCC3=C[C@H]([C@H](C(=C1)O2)C(=C)C)OC3=O)C(=C)C)OC(=O)C4=CC=C(C=C4)I
InChI: InChI=1S/C27H27IO5/c1-14(2)20-11-8-18-13-22(32-27(18)30)23(15(3)4)21-12-16(5)24(31-21)25(20)33-26(29)17-6-9-19(28)10-7-17/h6-7,9-10,12-13,20,22-23,25H,1,3,8,11H2,2,4-5H3/t20-,22+,23-,25-/m0/s1
SMILES: C[C@@H]([C@H](C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)NC(=O)[C@]12C[C@@H]3[C@H]4[C@@H]([C@H]1ON([C@H]2C(=O)O3)CC5=CC(=CC=C5)C=COCCO)OC(O4)(C6=CC=CC=C6)C7=CC=CC=C7)O
InChI: InChI=1S/C46H55N3O13/c1-28(52)36(41(54)47-33(27-51)18-19-35(53)59-44(2,3)4)48-43(56)45-25-34-37-38(61-46(60-37,31-14-7-5-8-15-31)32-16-9-6-10-17-32)40(45)62-49(39(45)42(55)58-34)26-30-13-11-12-29(24-30)20-22-57-23-21-50/h5-17,20,22,24,28,33-34,36-40,50-52H,18-19,21,23,25-27H2,1-4H3,(H,47,54)(H,48,56)/t28-,33-,34+,36+,37-,38-,39-,40+,45-/m0/s1
SMILES: CCC[C@@H]1[C@H](N[C@@H]([C@@H]([C@@]1(CCC)O)C)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C24H31Cl2NO/c1-4-6-21-23(18-9-13-20(26)14-10-18)27-22(16(3)24(21,28)15-5-2)17-7-11-19(25)12-8-17/h7-14,16,21-23,27-28H,4-6,15H2,1-3H3/t16-,21+,22-,23+,24+/m0/s1
SMILES: C1=CC=C2C3[C@@H]4[C@@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)OCC6=CC=C(C=C6)Cl
InChI: InChI=1S/C25H18ClNO3/c26-15-11-9-14(10-12-15)13-30-27-24(28)22-20-16-5-1-2-6-17(16)21(23(22)25(27)29)19-8-4-3-7-18(19)20/h1-12,20-23H,13H2/t20?,21?,22-,23-/m1/s1
SMILES: CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)[C@H]2[C@@H](C2(C)C)C=C(Cl)Cl
InChI: InChI=1S/C18H21Cl2NO4S/c1-6-25-17(24)12-8(2)14(9(3)22)26-16(12)21-15(23)13-10(7-11(19)20)18(13,4)5/h7,10,13H,6H2,1-5H3,(H,21,23)/t10-,13+/m0/s1
SMILES: COC(=O)C1=C[C@@H]([C@@]2([C@H]1[C@H]([C@H](N2C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5)C(=O)OC)C6=CC=CC=C6
InChI: InChI=1S/C35H30ClNO4/c1-40-33(38)28-22-29(23-12-6-3-7-13-23)35(34(39)41-2)31(28)30(24-14-8-4-9-15-24)32(25-18-20-26(36)21-19-25)37(35)27-16-10-5-11-17-27/h3-22,29-32H,1-2H3/t29-,30-,31-,32-,35-/m1/s1
SMILES: CCCC[Sn](CCCC)(CCCC)C1=C[C@H]([C@H]2[C@H](O1)COC(O2)C3=CC=CC=C3)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C19H27O4Si.3C4H9.Sn/c1-19(2,3)24(4,5)23-15-11-12-20-16-13-21-18(22-17(15)16)14-9-7-6-8-10-14;3*1-3-4-2;/h6-11,15-18H,13H2,1-5H3;3*1,3-4H2,2H3;/t15-,16-,17+,18?;;;;/m1..../s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CCC(=O)OCC(=O)NC3=C(C=C(C=N3)Cl)Cl
InChI: InChI=1S/C18H17Cl2N3O5/c19-10-7-13(20)16(21-8-10)22-14(24)9-28-15(25)5-6-23-17(26)11-3-1-2-4-12(11)18(23)27/h1-2,7-8,11-12H,3-6,9H2,(H,21,22,24)/t11-,12-/m0/s1
SMILES: CC(C)(C)OC(=O)N1[C@@H](C[C@@H]2[C@H]1N(C3=CC=CC=C23)C(=O)OC(C)(C)C)C(=O)OC
InChI: InChI=1S/C22H30N2O6/c1-21(2,3)29-19(26)23-15-11-9-8-10-13(15)14-12-16(18(25)28-7)24(17(14)23)20(27)30-22(4,5)6/h8-11,14,16-17H,12H2,1-7H3/t14-,16-,17-/m0/s1
SMILES: COC1=CC=C(C=C1)N2[C@@H]3CS(=O)(=O)C[C@@H]3N(C2=O)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C18H17ClN2O4S/c1-25-15-7-5-13(6-8-15)20-16-10-26(23,24)11-17(16)21(18(20)22)14-4-2-3-12(19)9-14/h2-9,16-17H,10-11H2,1H3/t16-,17+/m1/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=CC(=C4)Cl)O)C5=CC=CC=C5)C6=CC(=CC=C6)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC(=C(C=C8)C(=O)O)O
InChI: InChI=1S/C39H28Cl2N2O8/c40-20-7-4-8-22(15-20)43-35(47)29-18-27-24(12-13-26-32(27)36(48)42(34(26)46)23-10-11-25(37(49)50)31(45)17-23)33(28-16-21(41)9-14-30(28)44)39(29,38(43)51)19-5-2-1-3-6-19/h1-12,14-17,26-27,29,32-33,44-45H,13,18H2,(H,49,50)/t26-,27+,29-,32-,33+,39+/m0/s1
SMILES: CC(C)(C)OC(=O)N1[C@@H]([C@H](NC1=S)C=C)CCOCC2=CC=CC=C2
InChI: InChI=1S/C19H26N2O3S/c1-5-15-16(11-12-23-13-14-9-7-6-8-10-14)21(17(25)20-15)18(22)24-19(2,3)4/h5-10,15-16H,1,11-13H2,2-4H3,(H,20,25)/t15-,16-/m1/s1
SMILES: CC1(O[C@@H]2C[C@](C[C@H]([C@@H]2O1)O)(C(=O)NCCN(C)C)OCC3=CC(=CC=C3)Cl)C
InChI: InChI=1S/C21H31ClN2O5/c1-20(2)28-17-12-21(11-16(25)18(17)29-20,19(26)23-8-9-24(3)4)27-13-14-6-5-7-15(22)10-14/h5-7,10,16-18,25H,8-9,11-13H2,1-4H3,(H,23,26)/t16-,17-,18+,21-/m1/s1
SMILES: CC[C@H](C)C1=NC(=CO1)/C=C/C[C@H]2[C@H]([C@@H](C[C@]3(O2)C([C@H]([C@H](O3)[C@H](C[C@@H]([C@H](C)[C@@H]([C@H](C)CC(C)C(C)CCCC(C)CC#N)O)O)OC)OP(=O)(O)O)(C)C)O)C
InChI: InChI=1S/C42H73N2O11P/c1-12-26(3)40-44-32(24-52-40)17-14-18-35-30(7)34(46)23-42(53-35)41(9,10)39(55-56(48,49)50)38(54-42)36(51-11)22-33(45)31(8)37(47)29(6)21-28(5)27(4)16-13-15-25(2)19-20-43/h14,17,24-31,33-39,45-47H,12-13,15-16,18-19,21-23H2,1-11H3,(H2,48,49,50)/b17-14+/t25?,26-,27?,28?,29+,30-,31-,33-,34+,35-,36-,37+,38+,39-,42+/m0/s1
SMILES: C[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@H](C2)C[C@H]4[C@@]5([C@@H]3C[C@H]([C@]6([C@@]5(CC[C@@H]6C7=CC(=O)OC7)O)C)O)O4)C)O)O)O
InChI: InChI=1S/C29H42O10/c1-13-22(32)23(33)24(34)25(37-13)38-16-4-6-26(2)15(9-16)10-20-29(39-20)18(26)11-19(30)27(3)17(5-7-28(27,29)35)14-8-21(31)36-12-14/h8,13,15-20,22-25,30,32-35H,4-7,9-12H2,1-3H3/t13-,15-,16+,17-,18-,19-,20+,22-,23-,24-,25+,26+,27+,28-,29-/m1/s1
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C20H23N3O7/c1-11-7-8-13(23(28)29)9-16(11)21-17(24)10-30-20(27)12(2)22-18(25)14-5-3-4-6-15(14)19(22)26/h7-9,12,14-15H,3-6,10H2,1-2H3,(H,21,24)/t12-,14-,15-/m0/s1
SMILES: CC1(CC(=O)[C@@H]2[C@H](CC(=O)NC2=C1)C(=O)NC3=CC(=C(C=C3)F)Cl)C
InChI: InChI=1S/C18H18ClFN2O3/c1-18(2)7-13-16(14(23)8-18)10(6-15(24)22-13)17(25)21-9-3-4-12(20)11(19)5-9/h3-5,7,10,16H,6,8H2,1-2H3,(H,21,25)(H,22,24)/t10-,16+/m0/s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CCC4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O
InChI: InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22?,23+,24+,27+,28-,29-,30+/m1/s1
SMILES: CN1CC=C2[C@@H](C1)[C@@H](C(C(=N)C2C#N)(C#N)C#N)C3=C(C=CC4=CC=CC=C43)OC
InChI: InChI=1S/C24H21N5O/c1-29-10-9-17-18(11-25)23(28)24(13-26,14-27)22(19(17)12-29)21-16-6-4-3-5-15(16)7-8-20(21)30-2/h3-9,18-19,22,28H,10,12H2,1-2H3/t18?,19-,22-/m1/s1
SMILES: C1[C@H]2C[C@H]3C[C@@H]1[C@H]([C@@H](C2)C3=O)C(=O)[O-]
InChI: InChI=1S/C11H14O3/c12-10-7-2-5-1-6(4-7)9(11(13)14)8(10)3-5/h5-9H,1-4H2,(H,13,14)/p-1/t5-,6+,7-,8+,9+/m0/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CC2=CN=CC=C2)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O
InChI: InChI=1S/C36H58N2O11/c1-11-26-36(8,45)31(42)21(4)28(40)19(2)17-35(7,44)32(49-34-29(41)25(38(9)10)15-20(3)46-34)22(5)30(23(6)33(43)47-26)48-27(39)16-24-13-12-14-37-18-24/h12-14,18-23,25-26,29-32,34,41-42,44-45H,11,15-17H2,1-10H3/t19-,20-,21+,22+,23-,25+,26-,29-,30+,31-,32-,34+,35+,36-/m1/s1
SMILES: CCN1CC2(CCC(C34[C@H]2C(=O)[C@@H](C31)[C@@]5(CC[C@H]6C[C@H]4[C@H]5C(=O)O6)O)OC)C
InChI: InChI=1S/C22H31NO5/c1-4-23-10-20(2)7-6-13(27-3)22-12-9-11-5-8-21(26,14(12)19(25)28-11)15(18(22)23)16(24)17(20)22/h11-15,17-18,26H,4-10H2,1-3H3/t11-,12-,13?,14-,15-,17-,18?,20?,21-,22?/m0/s1
SMILES: CCCCCCCCCCCCCC[N+]1(C[C@@H]([C@H](C1)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CCCCCCCCCCCCCC.[Cl-]
InChI: InChI=1S/C42H83N3O4.ClH/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-45(34-32-30-28-26-24-22-20-18-16-14-12-10-2)35-37(43-39(46)48-41(3,4)5)38(36-45)44-40(47)49-42(6,7)8;/h37-38H,9-36H2,1-8H3,(H-,43,44,46,47);1H/t37-,38-;/m0./s1
SMILES: C=CCN1C2=CC=CC=C2C3=C1[C@H]4[C@@]56CCN([C@@H]([C@@]5(C3)OCC=C)CC7=C6C(=C(C=C7)O)O4)CC8CC8
InChI: InChI=1S/C32H34N2O3/c1-3-14-34-24-8-6-5-7-22(24)23-18-32(36-16-4-2)26-17-21-11-12-25(35)29-27(21)31(32,30(37-29)28(23)34)13-15-33(26)19-20-9-10-20/h3-8,11-12,20,26,30,35H,1-2,9-10,13-19H2/t26-,30+,31+,32-/m1/s1
SMILES: C[C@H](CC[C@H](C(CO)CO)O)[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)O)C)O)O)C
InChI: InChI=1S/C27H48O6/c1-15(4-7-22(31)16(13-28)14-29)19-5-6-20-25-21(12-24(33)27(19,20)3)26(2)9-8-18(30)10-17(26)11-23(25)32/h15-25,28-33H,4-14H2,1-3H3/t15-,17+,18-,19-,20+,21+,22-,23-,24+,25+,26+,27-/m1/s1
SMILES: CC[C@H](C)C(=O)O[C@@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C
InChI: InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21+,23-/m0/s1
SMILES: C[C@@H](/C=C/P1(=O)N([C@@H]2CCCC[C@H]2N1C)C)[C@H]3CC(=O)OC3
InChI: InChI=1S/C16H27N2O3P/c1-12(13-10-16(19)21-11-13)8-9-22(20)17(2)14-6-4-5-7-15(14)18(22)3/h8-9,12-15H,4-7,10-11H2,1-3H3/b9-8+/t12-,13-,14+,15+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=S)NNC(=O)C2=C(C=C(C=C2)Cl)N3CCCC3=O
InChI: InChI=1S/C20H27ClN4O2S/c1-12-5-3-6-16(13(12)2)22-20(28)24-23-19(27)15-9-8-14(21)11-17(15)25-10-4-7-18(25)26/h8-9,11-13,16H,3-7,10H2,1-2H3,(H,23,27)(H2,22,24,28)/t12-,13-,16-/m1/s1
SMILES: CC(C)C(C)/C=C\C(C)[C@@H]1CCC2[C@]1(CCC3C2=CC(C4([C@]3(CC[C@H](C4)OC(=O)C)C)O)O)C.C1=CC=NC=C1.O=[Os]=O
InChI: InChI=1S/C30H48O4.C5H5N.2O.Os/c1-18(2)19(3)8-9-20(4)24-10-11-25-23-16-27(32)30(33)17-22(34-21(5)31)12-15-29(30,7)26(23)13-14-28(24,25)6;1-2-4-6-5-3-1;;;/h8-9,16,18-20,22,24-27,32-33H,10-15,17H2,1-7H3;1-5H;;;/b9-8-;;;;/t19?,20?,22-,24+,25?,26?,27?,28+,29+,30?;;;;/m1..../s1
SMILES: CC(=O)O[C@H]1[C@H](OC2=C(C1=O)C(=CC(=C2)OC)OC)C3=CC(=C(C=C3)OC(=O)C)OC(=O)C
InChI: InChI=1S/C23H22O10/c1-11(24)30-16-7-6-14(8-17(16)31-12(2)25)22-23(32-13(3)26)21(27)20-18(29-5)9-15(28-4)10-19(20)33-22/h6-10,22-23H,1-5H3/t22-,23-/m1/s1
SMILES: C1CC[C@@H]2[C@H](C1)CCCN2C(=O)CN3C=C(C=C(C3=O)C#N)[N+](=O)[O-]
InChI: InChI=1S/C17H20N4O4/c18-9-13-8-14(21(24)25)10-19(17(13)23)11-16(22)20-7-3-5-12-4-1-2-6-15(12)20/h8,10,12,15H,1-7,11H2/t12-,15-/m1/s1
SMILES: CC1=C2C3=C(C=CC2=CC=C1)C4=CC[C@@H]([C@]4(CC3)C)[C@H](C)/C=C/[C@@H](C)C(C)C
InChI: InChI=1S/C28H36/c1-18(2)19(3)10-11-20(4)25-14-15-26-23-13-12-22-9-7-8-21(5)27(22)24(23)16-17-28(25,26)6/h7-13,15,18-20,25H,14,16-17H2,1-6H3/b11-10+/t19-,20-,25-,28-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H](O1)C(=O)NC(CC(C)C)C(=O)N2CCN(CC2)CC3=C(C(=C(C=C3)OC)OC)OC.CCOC(=O)[C@@H]1[C@H](O1)C(=O)NC(CC(C)C)C(=O)N2CCN(CC2)CC3=C(C(=C(C=C3)OC)OC)OC.OS(=O)(=O)O
InChI: InChI=1S/2C26H39N3O8.H2O4S/c2*1-7-36-26(32)23-22(37-23)24(30)27-18(14-16(2)3)25(31)29-12-10-28(11-13-29)15-17-8-9-19(33-4)21(35-6)20(17)34-5;1-5(2,3)4/h2*8-9,16,18,22-23H,7,10-15H2,1-6H3,(H,27,30);(H2,1,2,3,4)/t2*18?,22-,23-;/m00./s1
SMILES: CCCC[Sn]CCCC.CC(=O)OC[C@@H]1[C@H]([C@@H](C=CO1)O)O
InChI: InChI=1S/C8H12O5.2C4H9.Sn/c1-5(9)13-4-7-8(11)6(10)2-3-12-7;2*1-3-4-2;/h2-3,6-8,10-11H,4H2,1H3;2*1,3-4H2,2H3;/t6-,7-,8+;;;/m1.../s1
SMILES: CCCCCCCCCCCCCCCCCCCC[C@@H]1C[C@@H]1CCCCCCCCCCCCCC[C@@H]2C[C@@H]2CO
InChI: InChI=1S/C41H80O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-26-29-32-38-35-39(38)33-30-27-24-21-18-15-16-19-22-25-28-31-34-40-36-41(40)37-42/h38-42H,2-37H2,1H3/t38-,39+,40-,41-/m1/s1
SMILES: C1[C@H]([C@@H]([C@@H](N1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C26H29NO3/c1-4-10-21(11-5-1)17-28-20-24-26(30-19-23-14-8-3-9-15-23)25(16-27-24)29-18-22-12-6-2-7-13-22/h1-15,24-27H,16-20H2/t24-,25+,26+/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H]2[C@@H](C(=O)N2C(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)[C@H](C)O)C(C)C
InChI: InChI=1S/C31H41NO6/c1-18(2)25-16-7-19(3)17-26(25)38-31(35)29-27(20(4)33)30(34)32(29)28(21-8-12-23(36-5)13-9-21)22-10-14-24(37-6)15-11-22/h8-15,18-20,25-29,33H,7,16-17H2,1-6H3/t19-,20+,25+,26-,27+,29-/m1/s1
SMILES: C[C@@]12CCC[C@H]1[C@@H]3CC[C@@H]4[C@@]([C@H]3CC2)(CCC(=O)O4)C
InChI: InChI=1S/C18H28O2/c1-17-9-3-4-13(17)12-5-6-15-18(2,14(12)7-10-17)11-8-16(19)20-15/h12-15H,3-11H2,1-2H3/t12-,13-,14-,15+,17-,18+/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@H]([C@H](O6)OCC)CCCO)C7=C(N(N(C7=O)C8=CC=CC=C8)C)C)OC)OC)OC)OC
InChI: InChI=1S/C51H66N4O9/c1-9-32-30-53-20-18-33-25-43(59-5)45(61-7)27-38(33)41(53)23-35(32)24-42-39-28-46(62-8)44(60-6)26-34(39)19-21-54(42)49(57)47-29-40(37(17-14-22-56)51(64-47)63-10-2)48-31(3)52(4)55(50(48)58)36-15-12-11-13-16-36/h11-13,15-16,25-29,32,35,37,40-42,51,56H,9-10,14,17-24,30H2,1-8H3/t32-,35+,37+,40+,41-,42+,51-/m0/s1
SMILES: CCN1C[C@]2([C@H]3C[C@@H]4C1C3(C5CC6[C@H](CC4([C@]5(C6OC)O)O)OC)C(CC2O)O)O
InChI: InChI=1S/C22H35NO7/c1-4-23-9-19(26)13-6-11-17(23)21(13,16(25)7-15(19)24)14-5-10-12(29-2)8-20(11,27)22(14,28)18(10)30-3/h10-18,24-28H,4-9H2,1-3H3/t10?,11-,12+,13-,14?,15?,16?,17?,18?,19-,20?,21?,22+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=S)N/N=C\C2=CC3=C(C(=C2)OC)OCCO3
InChI: InChI=1S/C18H25N3O3S/c1-12-5-3-4-6-14(12)20-18(25)21-19-11-13-9-15(22-2)17-16(10-13)23-7-8-24-17/h9-12,14H,3-8H2,1-2H3,(H2,20,21,25)/b19-11-/t12-,14+/m1/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=CC(=C8)OC)O)C(=O)N(C7=O)CCC9=CC=C(C=C9)O)C
InChI: InChI=1S/C43H39ClN4O7S/c1-21-28-17-23(44)7-14-34(28)56-38(21)32-20-35(46(3)45-32)48-40(52)31-19-29-26(37(43(31,2)42(48)54)30-18-25(55-4)10-13-33(30)50)11-12-27-36(29)41(53)47(39(27)51)16-15-22-5-8-24(49)9-6-22/h5-11,13-14,17-18,20,27,29,31,36-37,49-50H,12,15-16,19H2,1-4H3/t27-,29+,31-,36-,37+,43+/m0/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1CN(CCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC4=NC=CC5=C4C=CC(=C5)OC)C(=O)NS(=O)(=O)C6CC6)C
InChI: InChI=1S/C36H48N6O9S/c1-35(2,3)51-34(46)38-28-21-41(4)16-8-6-7-9-23-19-36(23,33(45)40-52(47,48)26-11-12-26)39-30(43)29-18-25(20-42(29)32(28)44)50-31-27-13-10-24(49-5)17-22(27)14-15-37-31/h7,9-10,13-15,17,23,25-26,28-29H,6,8,11-12,16,18-21H2,1-5H3,(H,38,46)(H,39,43)(H,40,45)/b9-7-/t23-,25-,28+,29+,36-/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@H]2[C@@H]([C@]3([C@@H]4[NH+]2C=CC5=CC=CC=C45)C6=CC=CC=C6NC3=O)C(=O)C7=CC=C(C=C7)F
InChI: InChI=1S/C33H23FN2O3/c34-23-16-14-22(15-17-23)29(37)27-28(30(38)21-9-2-1-3-10-21)36-19-18-20-8-4-5-11-24(20)31(36)33(27)25-12-6-7-13-26(25)35-32(33)39/h1-19,27-28,31H,(H,35,39)/p+1/t27-,28-,31-,33+/m1/s1
SMILES: C1CCN2CC[C@H]3C(=C[C@@]4(CC/C=C\C1)[C@H]5[C@]3(C2)C[C@@]6(N5CCCCC(=O)C6)O4)C=O
InChI: InChI=1S/C26H36N2O3/c29-17-20-15-25-11-6-3-1-2-4-7-12-27-14-10-22(20)24(19-27)18-26(31-25)16-21(30)9-5-8-13-28(26)23(24)25/h1,3,15,17,22-23H,2,4-14,16,18-19H2/b3-1-/t22-,23+,24-,25-,26-/m0/s1
SMILES: C1CC[C@H]2CN(CC[C@H]2C1)C(=O)CCN3C(=O)OC(=N3)C4=CC=CS4
InChI: InChI=1S/C18H23N3O3S/c22-16(20-9-7-13-4-1-2-5-14(13)12-20)8-10-21-18(23)24-17(19-21)15-6-3-11-25-15/h3,6,11,13-14H,1-2,4-5,7-10,12H2/t13-,14+/m1/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1[C@H]([C@H](CN1C(=O)CCCC=C)O)O
InChI: InChI=1S/C15H26N2O4/c1-5-6-7-8-11(19)17-9-10(18)13(20)12(17)14(21)16-15(2,3)4/h5,10,12-13,18,20H,1,6-9H2,2-4H3,(H,16,21)/t10-,12-,13-/m0/s1
SMILES: CCC(=O)N=C1N([C@@H]2CS(=O)(=O)C[C@@H]2S1)CC3=CC=C(C=C3)Cl
InChI: InChI=1S/C15H17ClN2O3S2/c1-2-14(19)17-15-18(7-10-3-5-11(16)6-4-10)12-8-23(20,21)9-13(12)22-15/h3-6,12-13H,2,7-9H2,1H3/t12-,13+/m1/s1
SMILES: CC(C)[C@@H]([C@@]1(CO[C@H]1C2=CC=CC=C2)O[Si](C)(C)C)OCC3=CC=CC=C3
InChI: InChI=1S/C23H32O3Si/c1-18(2)21(24-16-19-12-8-6-9-13-19)23(26-27(3,4)5)17-25-22(23)20-14-10-7-11-15-20/h6-15,18,21-22H,16-17H2,1-5H3/t21-,22-,23+/m0/s1
SMILES: C[C@H]1CCCC(=C)[C@H](CC[C@@]2([C@H](O2)C[C@@H]3[C@H]([C@@H]1OC(=O)C)OC(=O)C3=C)C)OC(=O)C
InChI: InChI=1S/C24H34O7/c1-13-8-7-9-14(2)21(29-17(5)26)22-18(15(3)23(27)30-22)12-20-24(6,31-20)11-10-19(13)28-16(4)25/h14,18-22H,1,3,7-12H2,2,4-6H3/t14-,18-,19-,20+,21+,22+,24+/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=C4CN5C(=O)C6=CC=CC=C6C5=O)CSC7=C(C=CC=N7)C(=O)O
InChI: InChI=1S/C40H34N2O7S/c1-24-34(23-50-36-33(39(46)47)11-6-20-41-36)48-40(49-35(24)27-14-12-25(22-43)13-15-27)28-18-16-26(17-19-28)30-8-3-2-7-29(30)21-42-37(44)31-9-4-5-10-32(31)38(42)45/h2-20,24,34-35,40,43H,21-23H2,1H3,(H,46,47)/t24-,34+,35+,40+/m1/s1