CID
int64 8
172M
| SMILES
large_stringlengths 1
3.78k
| SELFIES
stringlengths 3
9.88k
|
|---|---|---|
94,816,689 | CCn1cc(NC(=O)[C@@H](c2ccccc2)N2CCSCC2)cn1 | [C][C][N][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][S][C][C][Ring1][=Branch1][C][=N][Ring2][Ring1][Branch1] |
71,921,334 | CC(=O)Nc1ccc(NCc2nnsc2Cl)c(Cl)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][N][C][C][N][=N][S][C][=Ring1][Branch1][Cl][C][Branch1][C][Cl][=C][Ring1][#C] |
12,170,576 | CCOP(=O)(OCC)OC/C=C(\C)CCc1ccccc1 | [C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][/C][=C][Branch1][C][\C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
105,970,459 | CC(C)n1cc(S(=O)(=O)Nc2ccncc2)cc1CO | [C][C][Branch1][C][C][N][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][C][O] |
113,162,593 | CC(=O)N(CC(=O)Nc1cccc(C)c1)Cc1ccccc1Cl | [C][C][=Branch1][C][=O][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
63,779,225 | O=C1CN(c2ccc(Br)cc2Cl)CC(=O)O1 | [O][=C][C][N][Branch1][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Cl][C][C][=Branch1][C][=O][O][Ring1][#C] |
168,331,897 | CSC1=C(SC)SC(=C2SC3=C(S2)Sc2cc4c(cc2S3)OCCOCCOCCOCCOCCOCCO4)S1 | [C][S][C][=C][Branch1][Ring1][S][C][S][C][=Branch2][Ring2][=C][=C][S][C][=C][Branch1][Ring2][S][Ring1][Branch1][S][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][S][Ring1][O][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][Ring2][Ring1][Branch2][S][Ring2][Ring2][#Branch1] |
114,446,684 | COCCn1ncc(NCC(N)C2CC2)c(Br)c1=O | [C][O][C][C][N][N][=C][C][Branch1][N][N][C][C][Branch1][C][N][C][C][C][Ring1][Ring1][=C][Branch1][C][Br][C][Ring1][=C][=O] |
171,614,987 | Cn1cc(-c2cc3c(-c4ccc(N5CC6CC(=O)CC(C5)N6)nc4)c(C#N)cnc3[nH]2)cn1 | [C][N][C][=C][Branch2][Branch1][Ring2][C][=C][C][=C][Branch2][Ring1][=C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][C][C][C][=Branch1][C][=O][C][C][Branch1][Ring2][C][Ring1][=Branch2][N][Ring1][Branch2][N][=C][Ring1][S][C][Branch1][Ring1][C][#N][=C][N][=C][Ring2][Ring1][Branch2][NH1][Ring2][Ring1][O][C][=N][Ring2][Ring1][S] |
165,064,652 | Cc1cc2ncc3cc(C)n(CC4CCN(S(N)(=O)=O)C4)c3c2cc1C.Cc1cc2ncc3ccn(CC4CCN(S(N)(=O)=O)CC4)c3c2cc1C.Cc1cc2ncc3ccn(CC4CN(S(N)(=O)=O)C4)c3c2cc1C.Cc1cc2ncc3ccn(Cc4ccc(S(N)(=O)=O)cn4)c3c2cc1C.Cc1cc2ncc3ccn(Cc4ccc(S(N)(=O)=O)nc4)c3c2cc1C.Cc1cc2ncc3ccn([C@@H](C)c4ccc(S(N)(=O)=O)cc4)c3c2cc1C.Cc1cc2ncc3ccn([C@H](C)c4ccc(S(N)(=O)=O)cc4)c3c2cc1C.Cc1ccc2c(c1)ncc1cc(C)n(Cc3ccc(S(N)(=O)=O)cc3)c12 | [C][C][=C][C][=N][C][=C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring1][C][C][C][C][N][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][Ring1][=Branch2][C][Ring1][S][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][Branch2][C].[C][C][=C][C][=N][C][=C][C][=C][N][Branch2][Ring1][Ring2][C][C][C][C][N][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][C][Ring1][S][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][Branch2][C].[C][C][=C][C][=N][C][=C][C][=C][N][Branch2][Ring1][C][C][C][C][N][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][Ring1][Branch2][C][Ring1][=C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch1][C].[C][C][=C][C][=N][C][=C][C][=C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=N][Ring1][#Branch2][C][Ring1][S][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][Branch2][C].[C][C][=C][C][=N][C][=C][C][=C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][N][=C][Ring1][#Branch2][C][Ring1][S][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][Branch2][C].[C][C][=C][C][=N][C][=C][C][=C][N][Branch2][Ring1][#Branch1][C@@H1][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][Ring1][P][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2][C].[C][C][=C][C][=N][C][=C][C][=C][N][Branch2][Ring1][#Branch1][C@H1][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][Ring1][P][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2][C].[C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=Ring1][P][Ring2][Ring1][=Branch1] |
139,406,479 | CCC(C)CC1=CC2CC3=CC(C(C)CC)=CC(CC4C=C(C(C)CC)C=C(CC5CC(C(C)CC)C=C(CC6C=C(C(C)CC)C=C(CC7=CC(C(C)CC)=CC(CC8=CC(C(C)CC)=CC(CC9C=C(C(C)CC)C=C(CC(=C1)C2O)C9O)C8O)C7O)C6O)C5O)C4O)C3O | [C][C][C][Branch1][C][C][C][C][=C][C][C][C][=C][C][Branch1][#Branch1][C][Branch1][C][C][C][C][=C][C][Branch2][#Branch2][S][C][C][C][=C][Branch1][#Branch1][C][Branch1][C][C][C][C][C][=C][Branch2][=Branch2][#Branch2][C][C][C][C][Branch1][#Branch1][C][Branch1][C][C][C][C][C][=C][Branch2][Branch2][Ring2][C][C][C][=C][Branch1][#Branch1][C][Branch1][C][C][C][C][C][=C][Branch2][=Branch1][=C][C][C][=C][C][Branch1][#Branch1][C][Branch1][C][C][C][C][=C][C][Branch2][Branch1][Branch2][C][C][=C][C][Branch1][#Branch1][C][Branch1][C][C][C][C][=C][C][Branch2][Ring2][C][C][C][C][=C][Branch1][#Branch1][C][Branch1][C][C][C][C][C][=C][Branch1][=C][C][C][=Branch1][Branch1][=C][Ring2][=Branch1][N][C][Ring2][=Branch1][O][O][C][Ring1][#C][O][C][Ring2][Ring1][O][O][C][Ring2][Ring2][#Branch1][O][C][Ring2][Branch1][Ring1][O][C][Ring2][Branch1][#C][O][C][Ring2][=Branch1][O][O][C][Ring2][#Branch1][#Branch1][O] |
170,849,250 | CCCCCCCCc1ccc(C(=O)[O-])cc1.CCCCCCCCc1ccc(C(=O)[O-])cc1.[Ca+2] | [C][C][C][C][C][C][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2].[C][C][C][C][C][C][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2].[Ca+2] |
89,500,938 | CC1(C)OB(c2ccc(N3[C@@H]4CC[C@H]3COC4)cc2)OC1(C)C | [C][C][Branch1][C][C][O][B][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][N][C@@H1][C][C][C@H1][Ring1][Branch1][C][O][C][Ring1][#Branch1][C][=C][Ring1][=C][O][C][Ring2][Ring1][Ring2][Branch1][C][C][C] |
63,641,852 | CC(=O)NCCC(=O)Nc1cccc(C(=O)O)n1 | [C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=N][Ring1][=Branch2] |
99,771,979 | C[C@H]1CCC[C@@](C#N)(O[Si](C)(C)C)[C@]1(C)CC[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC(C)(C)C | [C][C@H1][C][C][C][C@@][Branch1][Ring1][C][#N][Branch1][#Branch2][O][Si][Branch1][C][C][Branch1][C][C][C][C@][Ring1][=N][Branch1][C][C][C][C][C@H1][Branch2][Ring1][#C][O][Si][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
17,255,974 | COc1ccc(CN(Cc2ccc(OC)cc2)C(=Nc2cccc(C)c2)SC)cc1.I | [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][=N][=N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][S][C][C][=C][Ring2][Ring1][N].[I] |
67,466,434 | CCC(C)[C@H](NC(=O)[C@@]1(NC(=O)[C@H](C(C)CC)N(Cc2ccccc2C)C(=O)O)CCc2[nH]c3c(Cl)cc(Cl)cc3c2C1)C(N)=O | [C][C][C][Branch1][C][C][C@H1][Branch2][=Branch1][Ring1][N][C][=Branch1][C][=O][C@@][Branch2][Ring1][P][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][Branch1][C][C][C][C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][O][C][C][C][NH1][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Ring1][O][C][Ring2][Ring2][Ring1][C][Branch1][C][N][=O] |
114,291,586 | CCC(C)(C#N)C(=O)NC(C)CCOC | [C][C][C][Branch1][C][C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][O][C] |
164,200,427 | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)/C=C/CCCCCCCCCCCCCCCCCCCCCCCCC | [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][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][Branch1][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][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] |
140,207,598 | CCc1ccc(C(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][C][=C][Ring2][Ring1][Ring2] |
70,577,916 | CS[C@H](C)[C@H]1C(=O)N2C(C(=O)O)=C(S/C=C/NC(C)=O)C[C@H]12 | [C][S][C@H1][Branch1][C][C][C@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][#Branch2][S][/C][=C][/N][C][Branch1][C][C][=O][C][C@H1][Ring2][Ring1][C][Ring1][#C] |
56,091,344 | COc1cccc(OC)c1OCC(O)CNC(=O)c1cnc(SC)n1-c1ccccc1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Ring1][S][C][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
102,894,708 | CSCCN(C)CC1NCC2CCCC21 | [C][S][C][C][N][Branch1][C][C][C][C][N][C][C][C][C][C][C][Ring1][Branch1][Ring1][Branch2] |
66,839,997 | Cc1ccsc1.O[B]O | [C][C][C][=C][S][C][=Ring1][Branch1].[O][BH0][O] |
320,156 | Cc1ccc(S(=O)C(C)C(Cl)c2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][C][Branch1][C][C][C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] |
49,949,342 | OCCCNCc1cc(Br)ccc1OCc1ccccc1Cl | [O][C][C][C][N][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
138,587,987 | CN(C)C1CCN(c2cc(C(=O)Nc3cc4nc(-c5cn(C)nn5)ccc4cn3)ccn2)CC1 | [C][N][Branch1][C][C][C][C][C][N][Branch2][Ring2][N][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][=C][C][=N][C][Branch1][O][C][=C][N][Branch1][C][C][N][=N][Ring1][=Branch1][=C][C][=C][Ring1][N][C][=N][Ring1][S][=C][C][=N][Ring2][Ring1][=Branch2][C][C][Ring2][Ring1][#C] |
20,142,478 | NCCSCc1ncccc1CN1CCCCC1 | [N][C][C][S][C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][C][C][Ring1][=Branch1] |
23,616,793 | Cc1c(Cl)c(=O)oc2cc(O)ccc12.O=P([O-])(OCCCl)OCCCl | [C][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][=N][Ring1][#Branch1].[O][=P][Branch1][C][O-1][Branch1][Branch1][O][C][C][Cl][O][C][C][Cl] |
42,776,575 | COCCCN(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc1cccs1)C(=O)Nc1cccc(Br)c1 | [C][O][C][C][C][N][Branch2][Ring1][P][C][C][=Branch1][C][=O][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] |
76,295,831 | Cc1cc(C)cc(OCCNC(=O)C2CC(c3ccccc3)NN2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][#Branch2][O][C][C][N][C][=Branch1][C][=O][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][Ring1][O][=C][Ring2][Ring1][Branch2] |
159,632,738 | CC1(C)OB(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)OC1(C)C.CC1(C)c2ccccc2-c2ccc(Cc3ccc(-c4ccccc4)cc3)cc21.Cc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)c2ccc3ccccc3c12.Oc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)c2ccc3ccccc3c12.Oc1ccc(Br)c2ccc3ccccc3c12 | [C][C][Branch1][C][C][O][B][Branch2][Branch1][Branch1][C][=C][C][=C][Branch2][Ring2][=Branch2][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][#C][O][C][Ring2][Ring2][Branch1][Branch1][C][C][C].[C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][Ring1][Ring2][Ring1][O].[C][C][=C][C][=C][Branch2][Branch1][Branch1][C][=C][C][=C][Branch2][Ring2][=Branch2][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring2][=N][Ring1][#Branch2].[O][C][=C][C][=C][Branch2][Branch1][Branch1][C][=C][C][=C][Branch2][Ring2][=Branch2][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring2][=N][Ring1][#Branch2].[O][C][=C][C][=C][Branch1][C][Br][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#C][Ring1][#Branch2] |
63,321,228 | CCC(N)c1nc(C(C)(C)C)cc(C(C)(C)C)n1 | [C][C][C][Branch1][C][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][Ring1][=C] |
115,156,668 | Cc1ccc(N(C)C(=O)CCC(C)N)o1 | [C][C][=C][C][=C][Branch1][S][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][Branch1][C][C][N][O][Ring1][=C] |
154,125,412 | O=C(Cl)c1cc(-c2ccccc2)ccc1O | [O][=C][Branch1][C][Cl][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][O] |
169,284,642 | O=S(=O)(NCc1ccc(O)cc1)c1ccc(-c2cc(C(F)(F)F)on2)o1 | [O][=S][=Branch1][C][=O][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch2][Ring1][C][C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][N][=Ring1][=Branch2][O][Ring1][=C] |
106,978,299 | CCCC1(C(=O)O)CCCN1C(=O)N(C)CCOC | [C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][N][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][O][C] |
167,423,541 | Oc1cc2c(cc1I)C[C@H]1N(CC3CC3)CC[C@@]23CCNCC[C@@]13O | [O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][I][C][C@H1][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][C][C@@][Ring1][#C][C][C][N][C][C][C@@][Ring1][#C][Ring1][#Branch1][O] |
54,906,110 | CCC(CC)N(CCOC)C(=O)c1cccc(N)c1 | [C][C][C][Branch1][Ring1][C][C][N][Branch1][Branch1][C][C][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1] |
126,372,696 | O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)SC1=S | [O][=C][Branch1][S][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][S][=C][\C][=C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1][S][C][Ring2][Ring1][#Branch2][=S] |
51,080,410 | O=C(NCC1CCCO1)Nc1ccc2c(c1)CCO2 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1] |
121,877,637 | COc1ccc(N2CC(C(=O)NC(CC(F)(F)F)C(=O)O)CC2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][C][N][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][O][C][C][Ring1][P][=O][C][=C][Ring2][Ring1][Branch2] |
123,141,180 | COc1cc(CNC(=O)C2NC(CC(C)(C)C)C(C)(c3ccc(Cl)cc3F)C2C(F)C=CC=C(C)Cl)ccc1C(=O)O | [C][O][C][=C][C][Branch2][Branch1][#Branch1][C][N][C][=Branch1][C][=O][C][N][C][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][C][Ring2][Ring1][Ring1][C][Branch1][C][F][C][=C][C][=C][Branch1][C][C][Cl][=C][C][=C][Ring2][Ring2][Branch1][C][=Branch1][C][=O][O] |
121,955,177 | C=CCOCC(NC(=O)C(C)C(C)(C)C)C(=O)O | [C][=C][C][O][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
11,051,916 | COc1ccn(C)c1SC | [C][O][C][C][=C][N][Branch1][C][C][C][=Ring1][=Branch1][S][C] |
163,064,943 | C=C1C(=O)OC(CCCCCCCCCCCCCC(C)OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C1C(=O)O | [C][=C][C][=Branch1][C][=O][O][C][Branch2][=Branch1][N][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][C][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][Ring2][Branch1][#Branch1][C][=Branch1][C][=O][O] |
66,571,944 | COc1ccc(-c2coc3cc(OCCc4ccccc4)ccc3c2=O)cc1[N+](=O)[O-] | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][=C][O][C][=C][C][Branch1][N][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][C][Ring2][Ring1][Ring1][=O][C][=C][Ring2][Ring1][#Branch2][N+1][=Branch1][C][=O][O-1] |
42,814,103 | COc1ccccc1C1SCC(=O)N(CC(=O)NCc2cccnc2)c2c1c(-c1ccccc1)nn2-c1ccc(C)cc1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][C][=Branch1][C][=O][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C] |
24,350,472 | Cc1cc(C)cc(-n2c(C)cc(C(=O)Cn3c(Cl)nc4c3c(=O)n(C)c(=O)n4C)c2C)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][#C][N][C][Branch1][C][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][C][N][C][Branch1][C][Cl][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][#C] |
91,928,162 | Cn1ccnc1CNC[c-]1[cH-][cH-][cH-][cH-]1.[Fe].c1cc[cH-]c1 | [C][N][C][=C][N][=C][Ring1][Branch1][C][N][C][C-1][CH1-1][CH1-1][CH1-1][CH1-1][Ring1][Branch1].[Fe].[C][C][=C][CH1-1][C][=Ring1][Branch1] |
61,179,004 | CC(C)(C)[C@H](N)C(=O)Nc1cccc(-c2nn[nH]n2)c1 | [C][C][Branch1][C][C][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][Ring1][O] |
70,918,261 | COc1ccc(CN2CC(c3ccc(Cl)c(Cl)c3)C(CO)[C@H]2C)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][N][C][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Branch1][Ring1][C][O][C@H1][Ring1][#C][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2] |
16,846,924 | CC(C)c1nn(C/C=C/c2ccccc2)c(=O)c2c1cnn2-c1ccccc1 | [C][C][Branch1][C][C][C][=N][N][Branch1][N][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Ring1][S][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
68,544,084 | C[C@]12CC[C@H](O1)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 | [C][C@][C][C][C@H1][Branch1][Ring2][O][Ring1][Branch1][C@@H1][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][C@@H1][Ring1][=C][Ring2][Ring1][Ring1] |
119,948,419 | Cl.NC1CCCC(c2nc(Cc3ccc(Cl)cc3)no2)C1 | [Cl].[N][C][C][C][C][C][Branch2][Ring1][=Branch1][C][=N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][O][Ring1][=N][C][Ring2][Ring1][Ring1] |
65,049,190 | COCC(NCCN(C)C)C(C)C | [C][O][C][C][Branch1][=Branch2][N][C][C][N][Branch1][C][C][C][C][Branch1][C][C][C] |
104,716,113 | CN(Cc1ccccc1)c1cccc(C#N)c1N | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][N] |
24,618,932 | Cc1nc(-c2cccc(Cl)c2)sc1C(=O)n1ccccc1=NC(C)C | [C][C][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][C][=Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Ring1][=Branch1][=N][C][Branch1][C][C][C] |
54,953,475 | O=[N+]([O-])c1cc(F)cc(NCCc2ccsc2)c1 | [O][=N+1][Branch1][C][O-1][C][=C][C][Branch1][C][F][=C][C][Branch1][O][N][C][C][C][C][=C][S][C][=Ring1][Branch1][=C][Ring1][#C] |
8,525,200 | Cc1ccc2c(CC(=O)O[C@H](C)C(=O)NCc3ccco3)coc2c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][O][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2] |
125,795,008 | Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccco2)c2ccc(C)c(C)c2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][S][C][C][=Branch1][C][=O][N][/N][=C][\C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=N] |
21,391,738 | O=C(c1ccc(C2(C(=O)O)CCC2)cc1)c1cccs1 | [O][=C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][Ring1][#Branch1][C][=C][Ring1][=N][C][=C][C][=C][S][Ring1][Branch1] |
88,736,873 | CC(C)n1nnnc1CS | [C][C][Branch1][C][C][N][N][=N][N][=C][Ring1][Branch1][C][S] |
160,513,911 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(O)(c3cncs3)CC2)C1.O=C(O)CCC(=O)O | [O][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][C][C][N][Branch2][Ring1][Branch1][C][C][C][C][Branch1][C][O][Branch1][Branch2][C][=C][N][=C][S][Ring1][Branch1][C][C][Ring1][N][C][Ring1][S].[O][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][O] |
2,884,418 | COC(=O)c1ccc(OCC(O)Cn2nc(C)cc2C)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][Branch1][C][O][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][C] |
154,359,445 | N=C(c1ccco1)C1(c2ccc(Cl)cc2)CCC1 | [N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][Ring1][O] |
10,781,425 | C[C@H](OCc1ccccc1)C1(O)CS/C1=C\c1ccccc1 | [C][C@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][S][/C][Ring1][Branch1][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1] |
123,878,018 | CCCCn1c(=O)c2nc3c(OC)c(OC)[nH]c3nc2c2[nH+]cc3c(c21)=COOC=3 | [C][C][C][C][N][C][=Branch1][C][=O][C][=N][C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][NH1][C][=Ring1][=Branch2][N][=C][Ring1][=N][C][NH1+1][=C][C][C][Branch1][#Branch1][C][=Ring1][=Branch1][Ring2][Ring1][=Branch1][=C][O][O][C][=Ring1][#Branch1] |
72,198,923 | C[C@H](COCc1ccccc1)[C@@H]1C=C[C@H](C)C(=O)O1 | [C][C@H1][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C][=C][C@H1][Branch1][C][C][C][=Branch1][C][=O][O][Ring1][Branch2] |
144,238,821 | CCC(CCCO)Nc1nc(NCC2CC2)nc(C)c1-c1nc2cnc(C3CC3)cc2s1 | [C][C][C][Branch1][Branch1][C][C][C][O][N][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring1][=N][C][Branch1][C][C][=C][Ring1][N][C][=N][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring1][=Branch2][S][Ring1][N] |
145,666,568 | C=C(/C=C\C=N)c1cc(-c2ccc(C)cc2)nc(-c2cccnc2)c1 | [C][=C][Branch1][Branch1][/C][=C][\C][=N][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] |
119,163,560 | Nc1nccnc1C(=O)N1CCOC(c2ccsc2)C1 | [N][C][=N][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][O] |
159,651,279 | CO[C@H]1/C=C/C[C@H](C)CS(=O)(NC(=O)[C@H]2CCc3cnn(C)c3C2)=NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]21)C[C@@]1(CCCc2cc(C)ccc21)CO3 | [C][O][C@H1][/C][=C][/C][C@H1][Branch1][C][C][C][S][=Branch1][C][=O][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Ring1][#Branch2][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][O][C][C@@H1][C][C][C@H1][Ring1][Ring2][Ring2][Ring2][Branch1][C][C@@][Branch1][P][C][C][C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][Ring1][O][C][O][Ring2][Ring1][#Branch1] |
159,263,723 | C.C.OCCO.[HH] | [C].[C].[O][C][C][O].[HH1] |
112,970,579 | COc1ccc(CCNC(=O)NCCOc2ccccc2Cl)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][=Branch1] |
18,832,985 | Cc1ccccc1NC(=O)CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][S][Ring1][#Branch1] |
51,096,815 | Cc1cc(NC(=O)c2cccc(CN3CCCC3)c2)n(CCC#N)n1 | [C][C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][=C][Ring1][N][N][Branch1][Branch1][C][C][C][#N][N][=Ring2][Ring1][Branch2] |
16,794,867 | CC1CCN(CC(N)c2ccc3c(c2)OCCCO3)CC1 | [C][C][C][C][N][Branch2][Ring1][#Branch1][C][C][Branch1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2][C][C][Ring2][Ring1][Ring2] |
112,755,404 | NC(=S)c1cncnc1NCCC1CCCO1 | [N][C][=Branch1][C][=S][C][=C][N][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][C][C][O][Ring1][Branch1] |
115,376,657 | Cc1ccc(NC2CCC(C(C)C)CC2)cc1N(C)C | [C][C][=C][C][=C][Branch1][P][N][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2][C][=C][Ring1][S][N][Branch1][C][C][C] |
139,364,346 | CCO[C@@H]1CN(C)C[C@H]1OC(C)C | [C][C][O][C@@H1][C][N][Branch1][C][C][C][C@H1][Ring1][=Branch1][O][C][Branch1][C][C][C] |
84,626,417 | Cc1ccc2c(C(C)(C)CCN)c(C)[nH]c2c1 | [C][C][=C][C][=C][C][Branch1][O][C][Branch1][C][C][Branch1][C][C][C][C][N][=C][Branch1][C][C][NH1][C][Ring1][N][=C][Ring1][S] |
79,051,253 | CCNC(Cc1cccc(F)c1F)C(C)(C)N1CCCC1 | [C][C][N][C][Branch1][=C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][C][Branch1][C][C][Branch1][C][C][N][C][C][C][C][Ring1][Branch1] |
56,043,759 | O=C1CCc2cc(OCCCC(=O)N3CCC(NC(=O)c4ccsc4)CC3)ccc2N1 | [O][=C][C][C][C][=C][C][Branch2][Ring1][#C][O][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][C][Ring1][=C][=C][C][=C][Ring2][Ring1][#Branch2][N][Ring2][Ring1][=C] |
58,527,487 | NC(CCO)COP | [N][C][Branch1][Ring2][C][C][O][C][O][P] |
87,300,831 | CCNC(=O)Nc1nc2c(F)c(-c3cnc(N4CCN(CCC(=O)O)CC4)nc3)cc(-c3ccccn3)c2s1 | [C][C][N][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][F][C][Branch2][Ring1][=N][C][=C][N][=C][Branch2][Ring1][C][N][C][C][N][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][C][Ring1][O][N][=C][Ring1][P][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][=C][S][Ring2][Ring1][P] |
8,752,435 | CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CC(c1ccccc1)c1ccccc1 | [C][C][Branch1][C][C][C@@][Branch1][C][C][Branch1][Ring1][C][#N][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
15,724,446 | Cc1ccc(CF)c(C)c1 | [C][C][=C][C][=C][Branch1][Ring1][C][F][C][Branch1][C][C][=C][Ring1][=Branch2] |
87,909,670 | CCCCN(CCCC)Cc1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1 | [C][C][C][C][N][Branch1][Branch1][C][C][C][C][C][C][=C][C][=C][Branch2][Ring1][Ring1][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C] |
144,842,421 | C=CC(=O)N(CCC(=N)c1ncnc(N)c1Nc1ccc2cc[nH]c2c1)c1ccccc1 | [C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][S][C][C][C][=Branch1][C][=N][C][=N][C][=N][C][Branch1][C][N][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
166,248,911 | CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC2(C)C(C1)C2(F)F | [C][C][O][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][Branch1][Branch1][C][F][F] |
113,497,710 | CCCc1nnsc1C(=O)NCCC(O)CC | [C][C][C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][C] |
55,466,403 | Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1occc1CS(=O)(=O)c1ccccc1 | [C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=Ring1][Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
23,197,912 | CCOC(=O)c1cc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)ccc1Cl | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C@@H1][C@@H1][C][=C][C@@H1][Branch1][Branch2][C@@H1][C][C@H1][Ring1][#Branch1][Ring1][Ring1][C@@H1][Ring1][=Branch2][C][Ring1][=N][=O][=C][C][=C][Ring2][Ring1][Ring2][Cl] |
134,537,501 | CCn1c(=O)cc(C2CC2)c2cc(N(C)C(=O)c3ccc(C4CC4)cc3N)ccc21 | [C][C][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][Branch2][Ring1][=Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring1][=Branch2][N][=C][C][=C][Ring2][Ring1][Ring2][Ring2][Ring1][N] |
19,444,073 | Cc1ccccc1CN1CCN(C(=O)c2noc(C)c2COc2cccc(Cl)c2)CC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring2][Ring1][#Branch1] |
124,672,325 | c1cc(N2CCOC[C@@H](Cc3ccc4[nH]ccc4c3)C2)ncn1 | [C][=C][C][Branch2][Ring1][#Branch2][N][C][C][O][C][C@@H1][Branch1][#C][C][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][Ring1][P][=N][C][=N][Ring2][Ring1][#Branch1] |
103,577,086 | COc1ccc(-c2noc(CN3CC(C)C(N)C3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][O][C][Branch1][#C][C][N][C][C][Branch1][C][C][C][Branch1][C][N][C][Ring1][#Branch1][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1] |
40,532,920 | O=C(NCc1cccnc1)[C@H]1C[C@H]2CC[C@@H]1C2 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C@H1][C][C@H1][C][C][C@@H1][Ring1][=Branch1][C][Ring1][Branch1] |
5,031,008 | COc1ccccc1NC(=O)CC(=O)NN=Cc1ccccc1OCc1ccc(Br)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |