AID
int64 587
594
| SID
int64 842k
11.1M
| SID Group
int64 11
59.1k
| CID
int64 199
136M
| Activity Outcome
stringclasses 1
value | Activity Name
float64 | Activity Qualifier
float64 | Activity Value
float64 | Protein Accession
float64 | Gene ID
float64 | Target TaxID
float64 | PMID
float64 | smiles
stringlengths 8
226
| InChI
stringlengths 40
441
|
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
587 | 4,263,041 | 53,551 | 1,247,498 | Active | null | null | null | null | null | null | null | CCOc1cccc2cc(C(=O)N3CCc4ccccc43)c(=O)oc12 | InChI=1S/C20H17NO4/c1-2-24-17-9-5-7-14-12-15(20(23)25-18(14)17)19(22)21-11-10-13-6-3-4-8-16(13)21/h3-9,12H,2,10-11H2,1H3 |
587 | 11,112,702 | 58,475 | 6,604,382 | Active | null | null | null | null | null | null | null | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3O[C@@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15+,17+,22+,27+/m0/s1 |
587 | 4,257,849 | 48,398 | 1,258,835 | Active | null | null | null | null | null | null | null | COC(=O)c1ccc2c(c1)SC1=C(CCCC1=O)N2 | InChI=1S/C14H13NO3S/c1-18-14(17)8-5-6-9-12(7-8)19-13-10(15-9)3-2-4-11(13)16/h5-7,15H,2-4H2,1H3 |
587 | 11,111,672 | 57,447 | 4,971 | Active | null | null | null | null | null | null | null | C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3C=C | InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,35-36H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42) |
587 | 11,112,113 | 57,888 | 6,604,182 | Active | null | null | null | null | null | null | null | CC(=O)S[C@H]1CC2=CC(=O)CC[C@@]2(C)[C@H]2CC[C@@]3(C)[C@H](CC[C@]34CCC(=O)O4)[C@@H]12 | InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18+,19-,21-,22+,23-,24-/m0/s1 |
587 | 4,254,058 | 44,639 | 3,246,581 | Active | null | null | null | null | null | null | null | COc1cccc2c1C(=N)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1 | InChI=1S/C27H30N2O9/c1-10-23(31)14(28)7-17(37-10)38-16-9-27(35,11(2)30)8-13-19(16)26(34)20-21(25(13)33)24(32)12-5-4-6-15(36-3)18(12)22(20)29/h4-6,10,14,16-17,23,29,31,33-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,23-,27+/m0/s1 |
587 | 4,254,374 | 44,953 | 72,685 | Active | null | null | null | null | null | null | null | CC1=c2c(oc3cc(O)c(Nc4c(C)cc(O)cc4O)c(C)c23)=CC(=O)/C1=N\c1c(C)cc(O)cc1O | InChI=1S/C28H24N2O7/c1-11-5-15(31)7-17(33)25(11)29-27-13(3)23-21(9-19(27)35)37-22-10-20(36)28(14(4)24(22)23)30-26-12(2)6-16(32)8-18(26)34/h5-10,29,31-35H,1-4H3/b30-28- |
587 | 11,112,689 | 58,462 | 6,604,373 | Active | null | null | null | null | null | null | null | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@H]3O[C@@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16+,17+,22+,27+/m0/s1 |
587 | 4,253,737 | 44,320 | 278,672 | Active | null | null | null | null | null | null | null | O=C1c2ccccc2C(=O)c2c(NC3CCCCC3)ccc(Nc3ccc(S(=O)(=O)O)cc3)c21 | InChI=1S/C26H24N2O5S/c29-25-19-8-4-5-9-20(19)26(30)24-22(28-17-10-12-18(13-11-17)34(31,32)33)15-14-21(23(24)25)27-16-6-2-1-3-7-16/h4-5,8-16,27-28H,1-3,6-7H2,(H,31,32,33) |
587 | 4,254,230 | 44,810 | 428,781 | Active | null | null | null | null | null | null | null | CN(C)CCCNc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O | InChI=1S/C19H20N2O4/c1-21(2)9-5-8-20-13-10-14(22)15-16(19(13)25)18(24)12-7-4-3-6-11(12)17(15)23/h3-4,6-7,10,20,22,25H,5,8-9H2,1-2H3 |
587 | 4,253,824 | 44,407 | 9,595,220 | Active | null | null | null | null | null | null | null | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(/C(C)=N\O)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1 | InChI=1S/C27H30N2O10/c1-10-22(30)14(28)7-17(38-10)39-16-9-27(35,11(2)29-36)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(37-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-36H,7-9,28H2,1-3H3/b29-11-/t10-,14-,16-,17-,22-,27+/m0/s1 |
587 | 4,254,404 | 44,983 | 461,805 | Active | null | null | null | null | null | null | null | N[C@H](Cc1ccc2oc3cc(=O)c4ccccc4c-3nc2c1)C(=O)O | InChI=1S/C19H14N2O4/c20-13(19(23)24)7-10-5-6-16-14(8-10)21-18-12-4-2-1-3-11(12)15(22)9-17(18)25-16/h1-6,8-9,13H,7,20H2,(H,23,24)/t13-/m1/s1 |
587 | 11,112,934 | 58,707 | 6,419,892 | Active | null | null | null | null | null | null | null | O=C([O-])c1ccccc1-c1c2cc(Br)c(=O)cc-2oc2c([Hg])c([O-])c(Br)cc12 | InChI=1S/C20H9Br2O5.Hg/c21-13-5-11-17(7-15(13)23)27-18-8-16(24)14(22)6-12(18)19(11)9-3-1-2-4-10(9)20(25)26;/h1-7,24H,(H,25,26);/p-2 |
587 | 3,713,109 | 24,146 | 2,306,089 | Active | null | null | null | null | null | null | null | CN1/C(=C\P(=O)(N(C)C)N(C)C)C(C)(C)c2ccccc21 | InChI=1S/C16H26N3OP/c1-16(2)13-10-8-9-11-14(13)19(7)15(16)12-21(20,17(3)4)18(5)6/h8-12H,1-7H3/b15-12- |
587 | 3,713,635 | 24,672 | 2,377,519 | Active | null | null | null | null | null | null | null | CN(c1ccccc1)c1ccc(/C=c2\s/c(=C(/C#N)C(=O)C(C)(C)C)n(Cc3ccco3)c2=O)cc1 | InChI=1S/C29H27N3O3S/c1-29(2,3)26(33)24(18-30)28-32(19-23-11-8-16-35-23)27(34)25(36-28)17-20-12-14-22(15-13-20)31(4)21-9-6-5-7-10-21/h5-17H,19H2,1-4H3/b25-17-,28-24- |
587 | 3,716,574 | 27,608 | 2,999,671 | Active | null | null | null | null | null | null | null | CCn1c(CSc2nccn2C)nc2cc(C(=O)O)ccc21 | InChI=1S/C15H16N4O2S/c1-3-19-12-5-4-10(14(20)21)8-11(12)17-13(19)9-22-15-16-6-7-18(15)2/h4-8H,3,9H2,1-2H3,(H,20,21) |
587 | 4,252,983 | 43,570 | 13,399 | Active | null | null | null | null | null | null | null | Nc1n[nH]c2ccccc12 | InChI=1S/C7H7N3/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H3,8,9,10) |
587 | 3,716,567 | 27,601 | 2,123,860 | Active | null | null | null | null | null | null | null | CCn1c(CSc2nnc3ccccn23)nc2cc(C(=O)O)ccc21 | InChI=1S/C17H15N5O2S/c1-2-21-13-7-6-11(16(23)24)9-12(13)18-15(21)10-25-17-20-19-14-5-3-4-8-22(14)17/h3-9H,2,10H2,1H3,(H,23,24) |
587 | 4,254,612 | 45,187 | 870,979 | Active | null | null | null | null | null | null | null | O=S(=O)(Cc1ccccc1)N1CCc2ccccc21 | InChI=1S/C15H15NO2S/c17-19(18,12-13-6-2-1-3-7-13)16-11-10-14-8-4-5-9-15(14)16/h1-9H,10-12H2 |
587 | 847,922 | 5,802 | 5,285,253 | Active | null | null | null | null | null | null | null | CC(C)N1CC2=C(OC(N)=C(C#N)C2c2cccnc2)/C(=C/c2cccnc2)C1 | InChI=1S/C23H23N5O/c1-15(2)28-13-18(9-16-5-3-7-26-11-16)22-20(14-28)21(17-6-4-8-27-12-17)19(10-24)23(25)29-22/h3-9,11-12,15,21H,13-14,25H2,1-2H3/b18-9+ |
587 | 3,712,357 | 23,396 | 2,079,240 | Active | null | null | null | null | null | null | null | Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)CSc4n[nH]c(N)n4)c3C#N)C(C)(C)C2)o1 | InChI=1S/C22H22N6O2S2/c1-12-4-6-14(30-12)7-5-13-8-15-16(10-23)19(32-18(15)22(2,3)9-13)25-17(29)11-31-21-26-20(24)27-28-21/h4-8H,9,11H2,1-3H3,(H,25,29)(H3,24,26,27,28)/b7-5+ |
587 | 862,610 | 18,596 | 663,844 | Active | null | null | null | null | null | null | null | O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23 | InChI=1S/C20H16N4O2/c25-19-13-4-1-2-5-14(13)20-18-16(23-26-20)7-6-15(17(18)19)22-8-3-10-24-11-9-21-12-24/h1-2,4-7,9,11-12,22H,3,8,10H2 |
587 | 846,370 | 4,250 | 5,309,506 | Active | null | null | null | null | null | null | null | Cc1ccc2c(c1)c(C)c(C)n2CC(O)CN1CCOCC1 | InChI=1S/C18H26N2O2/c1-13-4-5-18-17(10-13)14(2)15(3)20(18)12-16(21)11-19-6-8-22-9-7-19/h4-5,10,16,21H,6-9,11-12H2,1-3H3 |
587 | 3,717,960 | 28,993 | 2,368,170 | Active | null | null | null | null | null | null | null | CN1/C(=C\C(=O)COC(=O)Cn2nnc(-c3ccccc3)n2)C(C)(C)c2ccccc21 | InChI=1S/C23H23N5O3/c1-23(2)18-11-7-8-12-19(18)27(3)20(23)13-17(29)15-31-21(30)14-28-25-22(24-26-28)16-9-5-4-6-10-16/h4-13H,14-15H2,1-3H3/b20-13- |
587 | 847,074 | 4,954 | 649,468 | Active | null | null | null | null | null | null | null | O=C(O)c1ccccc1C1=Nc2ccc(O)cc2Oc2cc(O)ccc21 | InChI=1S/C20H13NO5/c22-11-5-7-15-17(9-11)26-18-10-12(23)6-8-16(18)21-19(15)13-3-1-2-4-14(13)20(24)25/h1-10,22-23H,(H,24,25) |
587 | 850,124 | 8,004 | 652,631 | Active | null | null | null | null | null | null | null | COc1ccc2cc(C(c3nnnn3CCc3ccccc3)N3CCC(O)CC3)c(=O)[nH]c2c1 | InChI=1S/C25H28N6O3/c1-34-20-8-7-18-15-21(25(33)26-22(18)16-20)23(30-12-10-19(32)11-13-30)24-27-28-29-31(24)14-9-17-5-3-2-4-6-17/h2-8,15-16,19,23,32H,9-14H2,1H3,(H,26,33) |
587 | 858,057 | 14,143 | 659,413 | Active | null | null | null | null | null | null | null | O=C1c2ccccc2-c2onc3ccc(NCc4ccco4)c1c23 | InChI=1S/C19H12N2O3/c22-18-12-5-1-2-6-13(12)19-17-15(21-24-19)8-7-14(16(17)18)20-10-11-4-3-9-23-11/h1-9,20H,10H2 |
587 | 858,141 | 14,227 | 659,498 | Active | null | null | null | null | null | null | null | CC1=CC(C#N)(C#N)C(C#N)(C#N)C(c2ccccc2)N1 | InChI=1S/C16H11N5/c1-12-7-15(8-17,9-18)16(10-19,11-20)14(21-12)13-5-3-2-4-6-13/h2-7,14,21H,1H3 |
587 | 3,714,323 | 25,358 | 6,602,956 | Active | null | null | null | null | null | null | null | CCn1c(CSc2nnc(-c3cccnc3)n2-c2ccccc2C)nc2cc(C(=O)O)ccc21 | InChI=1S/C25H22N6O2S/c1-3-30-21-11-10-17(24(32)33)13-19(21)27-22(30)15-34-25-29-28-23(18-8-6-12-26-14-18)31(25)20-9-5-4-7-16(20)2/h4-14H,3,15H2,1-2H3,(H,32,33) |
587 | 4,244,935 | 36,114 | 3,239,469 | Active | null | null | null | null | null | null | null | O=C(O)CCCNc1cc(N2CCC3(CC2)OCCO3)c2noc3c2c1C(=O)c1ccccc1-3 | InChI=1S/C25H25N3O6/c29-19(30)6-3-9-26-17-14-18(28-10-7-25(8-11-28)32-12-13-33-25)22-21-20(17)23(31)15-4-1-2-5-16(15)24(21)34-27-22/h1-2,4-5,14,26H,3,6-13H2,(H,29,30) |
587 | 855,543 | 11,638 | 62,770 | Active | null | null | null | null | null | null | null | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1 |
587 | 853,401 | 11,281 | 656,056 | Active | null | null | null | null | null | null | null | O=C(Nc1ccc2c(c1)OCO2)C1CCCN(c2nc3ccccc3s2)C1 | InChI=1S/C20H19N3O3S/c24-19(21-14-7-8-16-17(10-14)26-12-25-16)13-4-3-9-23(11-13)20-22-15-5-1-2-6-18(15)27-20/h1-2,5-8,10,13H,3-4,9,11-12H2,(H,21,24) |
587 | 859,141 | 15,224 | 660,442 | Active | null | null | null | null | null | null | null | CN1CCc2c(sc3c2C(=O)NC(c2ccccn2)N3)C1 | InChI=1S/C15H16N4OS/c1-19-7-5-9-11(8-19)21-15-12(9)14(20)17-13(18-15)10-4-2-3-6-16-10/h2-4,6,13,18H,5,7-8H2,1H3,(H,17,20) |
587 | 855,944 | 12,030 | 443,939 | Active | null | null | null | null | null | null | null | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1 |
588 | 4,253,824 | 44,407 | 9,595,220 | Active | null | null | null | null | null | null | null | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(/C(C)=N\O)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1 | InChI=1S/C27H30N2O10/c1-10-22(30)14(28)7-17(38-10)39-16-9-27(35,11(2)29-36)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(37-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-36H,7-9,28H2,1-3H3/b29-11-/t10-,14-,16-,17-,22-,27+/m0/s1 |
588 | 4,254,374 | 44,953 | 72,685 | Active | null | null | null | null | null | null | null | CC1=c2c(oc3cc(O)c(Nc4c(C)cc(O)cc4O)c(C)c23)=CC(=O)/C1=N\c1c(C)cc(O)cc1O | InChI=1S/C28H24N2O7/c1-11-5-15(31)7-17(33)25(11)29-27-13(3)23-21(9-19(27)35)37-22-10-20(36)28(14(4)24(22)23)30-26-12(2)6-16(32)8-18(26)34/h5-10,29,31-35H,1-4H3/b30-28- |
588 | 4,254,230 | 44,810 | 428,781 | Active | null | null | null | null | null | null | null | CN(C)CCCNc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O | InChI=1S/C19H20N2O4/c1-21(2)9-5-8-20-13-10-14(22)15-16(19(13)25)18(24)12-7-4-3-6-11(12)17(15)23/h3-4,6-7,10,20,22,25H,5,8-9H2,1-2H3 |
588 | 4,252,983 | 43,570 | 13,399 | Active | null | null | null | null | null | null | null | Nc1n[nH]c2ccccc12 | InChI=1S/C7H7N3/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H3,8,9,10) |
588 | 11,111,316 | 57,095 | 151,582 | Active | null | null | null | null | null | null | null | CC(=O)[C@@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O | InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16+,17-,21+,26+/m0/s1 |
588 | 4,265,299 | 55,795 | 2,906,351 | Active | null | null | null | null | null | null | null | CN1C(=O)C(Cc2c[nH]c3ccccc23)C(=O)N(C)C1=O | InChI=1S/C15H15N3O3/c1-17-13(19)11(14(20)18(2)15(17)21)7-9-8-16-12-6-4-3-5-10(9)12/h3-6,8,11,16H,7H2,1-2H3 |
588 | 4,254,612 | 45,187 | 870,979 | Active | null | null | null | null | null | null | null | O=S(=O)(Cc1ccccc1)N1CCc2ccccc21 | InChI=1S/C15H15NO2S/c17-19(18,12-13-6-2-1-3-7-13)16-11-10-14-8-4-5-9-15(14)16/h1-9H,10-12H2 |
588 | 11,112,702 | 58,475 | 6,604,382 | Active | null | null | null | null | null | null | null | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3O[C@@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15+,17+,22+,27+/m0/s1 |
588 | 3,713,109 | 24,146 | 2,306,089 | Active | null | null | null | null | null | null | null | CN1/C(=C\P(=O)(N(C)C)N(C)C)C(C)(C)c2ccccc21 | InChI=1S/C16H26N3OP/c1-16(2)13-10-8-9-11-14(13)19(7)15(16)12-21(20,17(3)4)18(5)6/h8-12H,1-7H3/b15-12- |
588 | 4,257,849 | 48,398 | 1,258,835 | Active | null | null | null | null | null | null | null | COC(=O)c1ccc2c(c1)SC1=C(CCCC1=O)N2 | InChI=1S/C14H13NO3S/c1-18-14(17)8-5-6-9-12(7-8)19-13-10(15-9)3-2-4-11(13)16/h5-7,15H,2-4H2,1H3 |
588 | 3,713,635 | 24,672 | 2,377,519 | Active | null | null | null | null | null | null | null | CN(c1ccccc1)c1ccc(/C=c2\s/c(=C(/C#N)C(=O)C(C)(C)C)n(Cc3ccco3)c2=O)cc1 | InChI=1S/C29H27N3O3S/c1-29(2,3)26(33)24(18-30)28-32(19-23-11-8-16-35-23)27(34)25(36-28)17-20-12-14-22(15-13-20)31(4)21-9-6-5-7-10-21/h5-17H,19H2,1-4H3/b25-17-,28-24- |
588 | 3,716,567 | 27,601 | 2,123,860 | Active | null | null | null | null | null | null | null | CCn1c(CSc2nnc3ccccn23)nc2cc(C(=O)O)ccc21 | InChI=1S/C17H15N5O2S/c1-2-21-13-7-6-11(16(23)24)9-12(13)18-15(21)10-25-17-20-19-14-5-3-4-8-22(14)17/h3-9H,2,10H2,1H3,(H,23,24) |
588 | 11,112,934 | 58,707 | 6,419,892 | Active | null | null | null | null | null | null | null | O=C([O-])c1ccccc1-c1c2cc(Br)c(=O)cc-2oc2c([Hg])c([O-])c(Br)cc12 | InChI=1S/C20H9Br2O5.Hg/c21-13-5-11-17(7-15(13)23)27-18-8-16(24)14(22)6-12(18)19(11)9-3-1-2-4-10(9)20(25)26;/h1-7,24H,(H,25,26);/p-2 |
588 | 3,716,574 | 27,608 | 2,999,671 | Active | null | null | null | null | null | null | null | CCn1c(CSc2nccn2C)nc2cc(C(=O)O)ccc21 | InChI=1S/C15H16N4O2S/c1-3-19-12-5-4-10(14(20)21)8-11(12)17-13(19)9-22-15-16-6-7-18(15)2/h4-8H,3,9H2,1-2H3,(H,20,21) |
588 | 11,112,689 | 58,462 | 6,604,373 | Active | null | null | null | null | null | null | null | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@H]3O[C@@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16+,17+,22+,27+/m0/s1 |
588 | 850,124 | 8,004 | 652,631 | Active | null | null | null | null | null | null | null | COc1ccc2cc(C(c3nnnn3CCc3ccccc3)N3CCC(O)CC3)c(=O)[nH]c2c1 | InChI=1S/C25H28N6O3/c1-34-20-8-7-18-15-21(25(33)26-22(18)16-20)23(30-12-10-19(32)11-13-30)24-27-28-29-31(24)14-9-17-5-3-2-4-6-17/h2-8,15-16,19,23,32H,9-14H2,1H3,(H,26,33) |
588 | 858,057 | 14,143 | 659,413 | Active | null | null | null | null | null | null | null | O=C1c2ccccc2-c2onc3ccc(NCc4ccco4)c1c23 | InChI=1S/C19H12N2O3/c22-18-12-5-1-2-6-13(12)19-17-15(21-24-19)8-7-14(16(17)18)20-10-11-4-3-9-23-11/h1-9,20H,10H2 |
588 | 3,712,357 | 23,396 | 2,079,240 | Active | null | null | null | null | null | null | null | Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)CSc4n[nH]c(N)n4)c3C#N)C(C)(C)C2)o1 | InChI=1S/C22H22N6O2S2/c1-12-4-6-14(30-12)7-5-13-8-15-16(10-23)19(32-18(15)22(2,3)9-13)25-17(29)11-31-21-26-20(24)27-28-21/h4-8H,9,11H2,1-3H3,(H,25,29)(H3,24,26,27,28)/b7-5+ |
588 | 858,141 | 14,227 | 659,498 | Active | null | null | null | null | null | null | null | CC1=CC(C#N)(C#N)C(C#N)(C#N)C(c2ccccc2)N1 | InChI=1S/C16H11N5/c1-12-7-15(8-17,9-18)16(10-19,11-20)14(21-12)13-5-3-2-4-6-13/h2-7,14,21H,1H3 |
588 | 862,610 | 18,596 | 663,844 | Active | null | null | null | null | null | null | null | O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23 | InChI=1S/C20H16N4O2/c25-19-13-4-1-2-5-14(13)20-18-16(23-26-20)7-6-15(17(18)19)22-8-3-10-24-11-9-21-12-24/h1-2,4-7,9,11-12,22H,3,8,10H2 |
588 | 3,714,323 | 25,358 | 6,602,956 | Active | null | null | null | null | null | null | null | CCn1c(CSc2nnc(-c3cccnc3)n2-c2ccccc2C)nc2cc(C(=O)O)ccc21 | InChI=1S/C25H22N6O2S/c1-3-30-21-11-10-17(24(32)33)13-19(21)27-22(30)15-34-25-29-28-23(18-8-6-12-26-14-18)31(25)20-9-5-4-7-16(20)2/h4-14H,3,15H2,1-2H3,(H,32,33) |
588 | 855,543 | 11,638 | 62,770 | Active | null | null | null | null | null | null | null | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1 |
588 | 852,623 | 10,503 | 3,098,234 | Active | null | null | null | null | null | null | null | CCN1C(=O)/C(=C2\C=Cc3ccccc3N2CC)OC1=S | InChI=1S/C16H16N2O2S/c1-3-17-12-8-6-5-7-11(12)9-10-13(17)14-15(19)18(4-2)16(21)20-14/h5-10H,3-4H2,1-2H3/b14-13- |
588 | 855,944 | 12,030 | 443,939 | Active | null | null | null | null | null | null | null | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1 |
588 | 848,038 | 5,918 | 650,462 | Active | null | null | null | null | null | null | null | Cn1c(=O)c(NCCO)c2c3c(cccc31)C(=O)c1ccccc1-2 | InChI=1S/C19H16N2O3/c1-21-14-8-4-7-13-15(14)16(17(19(21)24)20-9-10-22)11-5-2-3-6-12(11)18(13)23/h2-8,20,22H,9-10H2,1H3 |
590 | 11,112,236 | 58,010 | 5,280,567 | Active | null | null | null | null | null | null | null | Cc1cc(=O)oc2cc(O)ccc12 | InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3 |
590 | 11,112,293 | 58,067 | 135,403,646 | Active | null | null | null | null | null | null | null | Nc1nc2n[nH]nc2c(=O)[nH]1 | InChI=1S/C4H4N6O/c5-4-6-2-1(3(11)7-4)8-10-9-2/h(H4,5,6,7,8,9,10,11) |
590 | 11,111,376 | 57,154 | 6,603,904 | Active | null | null | null | null | null | null | null | COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC | InChI=1S/C27H34N6O5/c1-27(2,3)31-24(34)20-15-32(11-12-33(20)26(35)38-16-17-9-7-6-8-10-17)25-29-19-14-22(37-5)21(36-4)13-18(19)23(28)30-25/h6-10,13-14,20H,11-12,15-16H2,1-5H3,(H,31,34)(H2,28,29,30)/t20-/m0/s1 |
590 | 11,111,095 | 56,874 | 5,281,708 | Active | null | null | null | null | null | null | null | O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12 | InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H |
590 | 4,263,927 | 54,433 | 2,953,653 | Active | null | null | null | null | null | null | null | Cc1nnc2sc(-c3ccc(NC(=O)c4ccc(-c5ccc(Cl)cc5Cl)o4)cc3)nn12 | InChI=1S/C21H13Cl2N5O2S/c1-11-25-26-21-28(11)27-20(31-21)12-2-5-14(6-3-12)24-19(29)18-9-8-17(30-18)15-7-4-13(22)10-16(15)23/h2-10H,1H3,(H,24,29) |
590 | 11,112,681 | 58,454 | 673,469 | Active | null | null | null | null | null | null | null | COc1c2c(nc3ccccc13)O[C@H]([C@@](C)(O)CO)C2 | InChI=1S/C15H17NO4/c1-15(18,8-17)12-7-10-13(19-2)9-5-3-4-6-11(9)16-14(10)20-12/h3-6,12,17-18H,7-8H2,1-2H3/t12-,15-/m0/s1 |
590 | 11,113,270 | 59,043 | 6,199 | Active | null | null | null | null | null | null | null | O=c1ccc2cc3ccoc3cc2o1 | InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H |
590 | 11,112,796 | 58,569 | 6,604,416 | Active | null | null | null | null | null | null | null | CCN[C@@H]1C[C@H](N)[C@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@@H](O)[C@H]1O[C@H]1OC[C@@](C)(O)[C@@H](NC)[C@@H]1O | InChI=1S/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/t11-,12+,13-,14-,15+,16+,17+,18+,19-,20-,21-/m1/s1 |
590 | 11,112,432 | 58,206 | 12,492 | Active | null | null | null | null | null | null | null | C[C@@H]1CCC[C@H](C)N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 | InChI=1S/C14H20ClN3O3S/c1-9-4-3-5-10(2)18(9)17-14(19)11-6-7-12(15)13(8-11)22(16,20)21/h6-10H,3-5H2,1-2H3,(H,17,19)(H2,16,20,21)/t9-,10+ |
590 | 11,111,014 | 56,793 | 5,311,191 | Active | null | null | null | null | null | null | null | CCCN1CCc2cccc3c2[C@@H]1Cc1ccc(O)c(O)c1-3 | InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m0/s1 |
590 | 11,112,223 | 57,997 | 6,760 | Active | null | null | null | null | null | null | null | COc1ccc2c(OC)c3ccoc3nc2c1OC | InChI=1S/C14H13NO4/c1-16-10-5-4-8-11(13(10)18-3)15-14-9(6-7-19-14)12(8)17-2/h4-7H,1-3H3 |
590 | 11,112,862 | 58,635 | 6,604,442 | Active | null | null | null | null | null | null | null | COc1cc2nc(N(C)CCCNC(=O)[C@@H]3CCCO3)nc(N)c2cc1OC | InChI=1S/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23)/t14-/m0/s1 |
590 | 11,111,159 | 56,938 | 6,603,845 | Active | null | null | null | null | null | null | null | CNC(=O)Oc1ccc2c(c1)[C@@]1(C)CCN(C)[C@@H]1N2C | InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15-/m1/s1 |
590 | 11,113,286 | 59,059 | 14,987 | Active | null | null | null | null | null | null | null | CN1C[C@H](CO)C=C2c3cccc4[nH]cc(c34)C[C@H]21 | InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3/t10-,15-/m1/s1 |
590 | 11,112,376 | 58,150 | 6,604,259 | Active | null | null | null | null | null | null | null | CC(C)C[C@H]1C(=O)N2CCC[C@@H]2[C@@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@@H]4N(C)C3)(C(C)C)C(=O)N12 | InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24+,25+,26-,31-,32-/m1/s1 |
590 | 11,112,976 | 58,749 | 54,705,188 | Active | null | null | null | null | null | null | null | CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@]2(O)C(=O)C3=C(O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12 | InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22-/m1/s1 |
590 | 11,112,273 | 58,047 | 6,604,225 | Active | null | null | null | null | null | null | null | COc1cc(OC)c2c(c1Cl)O[C@@]1(C2=O)[C@H](C)CC(=O)C[C@@H]1OC | InChI=1S/C17H19ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h7-8,12H,5-6H2,1-4H3/t8-,12+,17+/m1/s1 |
590 | 11,111,680 | 57,455 | 4,976 | Active | null | null | null | null | null | null | null | CNCCCC1c2ccccc2C=Cc2ccccc21 | InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3 |
590 | 11,112,792 | 58,565 | 4,849 | Active | null | null | null | null | null | null | null | NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCC2)c1Oc1ccccc1 | InChI=1S/C17H18N2O5S/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23) |
590 | 11,112,298 | 58,072 | 6,604,230 | Active | null | null | null | null | null | null | null | CCCC[C@H](CC)CN1CN(C[C@@H](CC)CCCC)CC(C)(N)C1 | InChI=1S/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3/t19-,20-/m0/s1 |
590 | 11,112,553 | 58,327 | 2,446 | Active | null | null | null | null | null | null | null | CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC | InChI=1S/C14H22BrN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19) |
590 | 11,111,701 | 57,476 | 5,013 | Active | null | null | null | null | null | null | null | CN1CCN(c2ccc3ccccc3n2)CC1 | InChI=1S/C14H17N3/c1-16-8-10-17(11-9-16)14-7-6-12-4-2-3-5-13(12)15-14/h2-7H,8-11H2,1H3 |
590 | 11,113,254 | 59,027 | 3,397,945 | Active | null | null | null | null | null | null | null | C[N+]1=Cc2cc3c(cc2CC1)OCO3 | InChI=1S/C11H12NO2/c1-12-3-2-8-4-10-11(14-7-13-10)5-9(8)6-12/h4-6H,2-3,7H2,1H3/q+1 |
590 | 11,112,617 | 58,391 | 6,603,743 | Active | null | null | null | null | null | null | null | N[C@@H](CO)C(=O)NNCc1ccc(O)c(O)c1O | InChI=1S/C10H15N3O5/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16/h1-2,6,12,14-17H,3-4,11H2,(H,13,18)/t6-/m0/s1 |
590 | 11,111,535 | 57,313 | 4,431 | Active | null | null | null | null | null | null | null | COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1 | InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3 |
590 | 11,111,266 | 57,045 | 1,748 | Active | null | null | null | null | null | null | null | COc1ccc(CCN)cc1O | InChI=1S/C9H13NO2/c1-12-9-3-2-7(4-5-10)6-8(9)11/h2-3,6,11H,4-5,10H2,1H3 |
590 | 4,264,181 | 54,683 | 2,056,597 | Active | null | null | null | null | null | null | null | CCOC(=O)c1c(NC(=O)c2ccn(CC)n2)sc2c1CCCC2 | InChI=1S/C17H21N3O3S/c1-3-20-10-9-12(19-20)15(21)18-16-14(17(22)23-4-2)11-7-5-6-8-13(11)24-16/h9-10H,3-8H2,1-2H3,(H,18,21) |
590 | 4,264,204 | 54,706 | 695,286 | Active | null | null | null | null | null | null | null | CCOC(=O)CSc1nc(C)c2cc(OC)ccc2n1 | InChI=1S/C14H16N2O3S/c1-4-19-13(17)8-20-14-15-9(2)11-7-10(18-3)5-6-12(11)16-14/h5-7H,4,8H2,1-3H3 |
590 | 11,112,643 | 58,416 | 6,604,356 | Active | null | null | null | null | null | null | null | CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@@H]2N(C)C1 | InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18-/m0/s1 |
590 | 4,265,804 | 56,293 | 2,293,535 | Active | null | null | null | null | null | null | null | CCN1C2=C(C(=O)CCC2)C(c2ccc(O)cc2)C2=C1CCCC2=O | InChI=1S/C21H23NO3/c1-2-22-15-5-3-7-17(24)20(15)19(13-9-11-14(23)12-10-13)21-16(22)6-4-8-18(21)25/h9-12,19,23H,2-8H2,1H3 |
590 | 11,112,894 | 58,667 | 65,981 | Active | null | null | null | null | null | null | null | CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O | InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1 |
590 | 4,264,999 | 55,496 | 1,267,907 | Active | null | null | null | null | null | null | null | CC(=O)c1c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc(=S)n(-c2ccccc2)c1C | InChI=1S/C25H26N4O3S/c1-17-23(18(2)30)24(26-25(33)29(17)20-6-4-3-5-7-20)28-12-10-27(11-13-28)15-19-8-9-21-22(14-19)32-16-31-21/h3-9,14H,10-13,15-16H2,1-2H3 |
590 | 11,111,332 | 57,111 | 135,398,700 | Active | null | null | null | null | null | null | null | Nc1nc2[nH]c(=O)cnc2c(=O)[nH]1 | InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1H,(H4,7,9,10,11,12,13) |
590 | 11,111,445 | 57,223 | 6,603,922 | Active | null | null | null | null | null | null | null | Cc1nnc2cc(-c3ccc(C(F)(F)F)cc3)cnn12 | InChI=1S/C13H9F3N4/c1-8-18-19-12-6-10(7-17-20(8)12)9-2-4-11(5-3-9)13(14,15)16/h2-7H,1H3 |
590 | 11,111,348 | 57,126 | 180,540 | Active | null | null | null | null | null | null | null | C[C@@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1 | InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m1/s1 |
590 | 11,113,228 | 59,001 | 135,484,652 | Active | null | null | null | null | null | null | null | C[C@H](O)[C@H](O)[C@@H](O)c1cnc2nc(N)[nH]c(=O)c2n1 | InChI=1S/C10H13N5O4/c1-3(16)6(17)7(18)4-2-12-8-5(13-4)9(19)15-10(11)14-8/h2-3,6-7,16-18H,1H3,(H3,11,12,14,15,19)/t3-,6-,7-/m0/s1 |
590 | 11,113,026 | 58,799 | 6,419,938 | Active | null | null | null | null | null | null | null | Cc1[nH]ccc2c1[nH]c1cc(=O)ccc12 | InChI=1S/C12H10N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-6,13-14H,1H3 |
590 | 11,111,900 | 57,675 | 5,533 | Active | null | null | null | null | null | null | null | O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12 | InChI=1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2 |
590 | 11,112,910 | 58,683 | 24,360 | Active | null | null | null | null | null | null | null | CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 | InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 |
590 | 11,113,029 | 58,802 | 6,604,555 | Active | null | null | null | null | null | null | null | CNC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO.Cc1c(Nc2ncccc2C(=O)O)cccc1C(F)(F)F | InChI=1S/C14H11F3N2O2.C7H17NO5/c1-8-10(14(15,16)17)5-2-6-11(8)19-12-9(13(20)21)4-3-7-18-12;1-8-2-4(10)6(12)7(13)5(11)3-9/h2-7H,1H3,(H,18,19)(H,20,21);4-13H,2-3H2,1H3/t;4-,5+,6-,7+/m.0/s1 |
590 | 11,111,495 | 57,273 | 1,390 | Active | null | null | null | null | null | null | null | Cn1ccnc1 | InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3 |
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