CID
int64 8
172M
| SMILES
large_stringlengths 1
3.78k
| SELFIES
stringlengths 3
9.88k
|
|---|---|---|
20,374,352 | ClC(Cl)(Cl)c1ccc(NCc2ccccn2)cc1 | [Cl][C][Branch1][C][Cl][Branch1][C][Cl][C][=C][C][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=C] |
116,130,910 | CCOC(C)Cn1c(CCCl)nc2ccc(C#N)cc21 | [C][C][O][C][Branch1][C][C][C][N][C][Branch1][Ring2][C][C][Cl][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][Ring1][=C] |
113,211,190 | Cc1cc(Br)ccc1NC(=O)C1(c2c[nH]c3cc(F)ccc23)CC1 | [C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][P][C][=C][NH1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][=N] |
53,847,672 | COC(=O)C(C(N)=O)N(CCCN)c1ccc(C(=O)O)cc1[N+](=O)[O-] | [C][O][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][N][=O][N][Branch1][Branch1][C][C][C][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1] |
162,710,396 | CC(c1ccccc1)c1cccc2c1oc1ccc(-c3cc(-c4ccccc4)ccn3)cc12 | [C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=N][Ring1][N][C][=C][Ring2][Ring1][C][Ring2][Ring1][Branch1] |
138,005,277 | CC(C)C(NC(=O)c1ccc2oc(=O)[nH]c2c1)C1(CO)CCCC1 | [C][C][Branch1][C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][Ring1][C][O][C][C][C][C][Ring1][#Branch1] |
2,460,761 | CCOC(=O)c1c(NC(=O)COC(=O)c2cc3c(s2)CC[C@H](C)C3)sc(C)c1CC | [C][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C@H1][Branch1][C][C][C][Ring1][Branch2][S][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1][C][C] |
57,493,444 | CC/C=C/C(=O)OCCO | [C][C][/C][=C][/C][=Branch1][C][=O][O][C][C][O] |
43,203,301 | CC(Nc1ccc(OCC#N)cc1)c1cc(O)ccc1O | [C][C][Branch1][S][N][C][=C][C][=C][Branch1][Branch1][O][C][C][#N][C][=C][Ring1][#Branch2][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O] |
135,366,799 | Cc1ccccc1Cc1ccc([C@@H](N)CC(=O)O)cc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][C@@H1][Branch1][C][N][C][C][=Branch1][C][=O][O][C][=C][Ring1][N] |
114,091,590 | O=C(O)[C@H]1C[C@H]1C(=O)NC12CC3CC(CC(C3)C1)C2 | [O][=C][Branch1][C][O][C@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2] |
92,046,620 | CCOc1cccc2sc(N(CCN(C)C)C(=O)C=Cc3cccc([N+](=O)[O-])c3)nc12.Cl | [C][C][O][C][=C][C][=C][C][S][C][Branch2][Ring1][S][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][=N][C][Ring2][Ring1][N][=Ring2][Ring1][Branch2].[Cl] |
90,039,285 | CC(C)P1OCCN1c1ccccn1 | [C][C][Branch1][C][C][P][O][C][C][N][Ring1][Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1] |
68,726,888 | CC[C@H](NC(=O)OCc1ccccc1)C(OC(=O)C1(C(C)(C)C)CC1)O[Si](C)(C)C(C)(C)C | [C][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Branch1][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][#Branch1][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C] |
107,453,158 | CC1(C)CCN(c2ccc(CN)c(Br)c2)CCS1 | [C][C][Branch1][C][C][C][C][N][Branch1][S][C][=C][C][=C][Branch1][Ring1][C][N][C][Branch1][C][Br][=C][Ring1][=Branch2][C][C][S][Ring1][P] |
71,110,132 | OCCN1CCN(C2=NC3=C(CCC=C3)SC3=C2CCC=C3)CC1 | [O][C][C][N][C][C][N][Branch2][Ring1][Branch2][C][=N][C][=C][Branch1][#Branch1][C][C][C][=C][Ring1][=Branch1][S][C][=C][Ring1][O][C][C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1] |
20,473,569 | C=C/C=C/CC(C)(C)C(=O)C(C)C | [C][=C][/C][=C][/C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][C] |
130,468,665 | N#Cc1cc(-c2cccc(-c3nc(C4CCCN4C#N)no3)n2)ccn1 | [N][#C][C][=C][C][Branch2][Ring1][#C][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=N][C][Branch1][#Branch2][C][C][C][C][N][Ring1][Branch1][C][#N][=N][O][Ring1][N][=N][Ring2][Ring1][C][=C][C][=N][Ring2][Ring1][Branch2] |
53,966,561 | CCOC(=O)C=Cc1cc(C=CC(=O)OCC)cc(C(O)c2ccccc2OC)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][C][=C][C][=Branch1][C][=O][O][C][C][=C][C][Branch1][#C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring2][Ring1][#Branch1] |
121,411,915 | CC(=O)Nc1cc(-c2[nH]c3cccnc3c2-c2cnc(F)c(F)c2)ccn1 | [C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][N][C][NH1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][=C][N][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=C][C][=N][Ring2][Ring1][#Branch1] |
111,161,807 | CCCCCCNC(=NCc1cccc(C(=O)NCC2CCCO2)c1)NCC | [C][C][C][C][C][C][N][C][=Branch2][Ring1][#Branch2][=N][C][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=C][Ring1][#C][N][C][C] |
160,154,034 | NC1(c2cc(C(=O)C[C@@H]3[C@H]4Oc5ccc(Oc6ccnc7c6CCC(=O)N7)cc5[C@@H]34)cc(C(F)(F)F)c2)CC1 | [N][C][Branch2][=Branch1][Ring2][C][=C][C][Branch2][Ring2][=C][C][=Branch1][C][=O][C][C@@H1][C@H1][O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Ring2][Ring1][C][C@@H1][Ring2][Ring1][=Branch1][Ring2][Ring1][Branch1][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring2][Ring1][C][C][Ring2][Ring2][=Branch1] |
522,430 | ClCCCSCCCl | [Cl][C][C][C][S][C][C][Cl] |
92,072,620 | CCCCN(CC)C(=O)c1ccc(Oc2nccs2)cc1 | [C][C][C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][O][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][N] |
160,734,900 | COc1nccc(I)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(C1CCCCC1)C3=O.COc1nccc(I)c1C=O.Cc1ccc(OC[C@H](O)CN)c(C)c1.Cc1ccc(OC[C@H](O)CNc2cc[nH]c(=O)c2-c2nc3cc4c(cc3[nH]2)C(=O)N(C2CCCCC2)C4=O)c(C)c1.NC1CCCCC1.Nc1cc2c(cc1N)C(=O)N(C1CCCCC1)C2=O.Nc1cc2c(cc1[N+](=O)[O-])C(=O)N(C1CCCCC1)C2=O.Nc1cc2c(cc1[N+](=O)[O-])C(=O)NC2=O.O=C1c2cc3nc(-c4c(Cl)cc[nH]c4=O)[nH]c3cc2C(=O)N1C1CCCCC1.O=C1c2cc3nc(-c4c(Cl)cc[nH]c4=O)[nH]c3cc2C(=O)N1C1CCNCC1 | [C][O][C][=N][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][#C][=O].[C][O][C][=N][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1][C][=O].[C][C][=C][C][=C][Branch1][=Branch2][O][C][C@H1][Branch1][C][O][C][N][C][Branch1][C][C][=C][Ring1][=N].[C][C][=C][C][=C][Branch2][Branch1][=Branch1][O][C][C@H1][Branch1][C][O][C][N][C][C][=C][NH1][C][=Branch1][C][=O][C][=Ring1][#Branch1][C][=N][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][#C][=O][C][Branch1][C][C][=C][Ring2][Ring2][Branch2].[N][C][C][C][C][C][C][Ring1][=Branch1].[N][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][#C][=O].[N][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][P][=O].[N][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=Branch1][C][=O][N][C][Ring1][O][=O].[O][=C][C][=C][C][N][=C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][NH1][C][Ring1][#Branch1][=O][NH1][C][=Ring1][=N][C][=C][Ring1][P][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1].[O][=C][C][=C][C][N][=C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][NH1][C][Ring1][#Branch1][=O][NH1][C][=Ring1][=N][C][=C][Ring1][P][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1][C][C][C][N][C][C][Ring1][=Branch1] |
61,024,047 | Cc1oc(CNS(=O)(=O)c2cccnc2)cc1C(=O)O | [C][C][O][C][Branch2][Ring1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=Ring1][S][C][=Branch1][C][=O][O] |
146,049,566 | O=CC12CC1CCC2(F)F | [O][=C][C][C][C][Ring1][Ring1][C][C][C][Ring1][=Branch1][Branch1][C][F][F] |
91,660,243 | CNC(=O)CN1[C@@H]2C[C@H]3CC[C@]2(CS1(=O)=O)C3(C)C | [C][N][C][=Branch1][C][=O][C][N][C@@H1][C][C@H1][C][C][C@][Ring1][=Branch1][Branch1][=Branch2][C][S][Ring1][=Branch2][=Branch1][C][=O][=O][C][Ring1][=Branch2][Branch1][C][C][C] |
16,776,668 | COc1ccc(OC(F)F)c(N)c1 | [C][O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][Branch1][C][N][=C][Ring1][O] |
158,761,478 | N#Cc1ccc2c3ccccc3n(-c3cccc4c3sc3cccc(-c5cccc6c5sc5ccccc56)c34)c2c1.c1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4sc4cccc(-c6ccc7c(c6)sc6ccccc67)c45)c3c2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4sc4cccc(-c6ccc7sc8ccccc8c7c6)c45)c3c2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4sc4cccc(-c6cccc7sc8ccccc8c67)c45)c3c2)cc1 | [N][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring2][Ring1][Ring1][Ring2][Ring1][=Branch1][C][Ring2][Ring2][Ring1][=C][Ring2][Ring2][#Branch1].[C][=C][C][=C][Branch2][=Branch1][=Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring2][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring2][Ring1][Ring1][Ring2][Ring1][=Branch1][C][Ring2][Ring2][Ring1][=C][Ring2][Ring2][#Branch1][C][=C][Ring2][Ring2][=N].[C][=C][C][=C][Branch2][=Branch1][Ring2][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=C][Ring1][=N][=C][Ring2][Ring1][Ring1][Ring2][Ring1][=Branch1][C][Ring2][Ring2][Ring1][=C][Ring2][Ring2][#Branch1][C][=C][Ring2][Ring2][=N].[C][=C][C][=C][Branch2][=Branch1][Ring2][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][=C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=Ring1][=Branch2][=C][Ring2][Ring1][Ring1][Ring2][Ring1][=Branch1][C][Ring2][Ring2][Ring1][=C][Ring2][Ring2][#Branch1][C][=C][Ring2][Ring2][=N] |
124,965,724 | CNC(=O)[C@@H]1CN(C(=O)c2nccn2C)CCN(C2CCOCC2)C1 | [C][N][C][=Branch1][C][=O][C@@H1][C][N][Branch1][=N][C][=Branch1][C][=O][C][=N][C][=C][N][Ring1][Branch1][C][C][C][N][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][Ring2][Ring1][Branch1] |
58,282,648 | COc1ccc(COc2cc(-c3ccc(CO)s3)nc(-c3nc(C(F)(F)F)cs3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][=N][C][O][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][Ring1][C][O][S][Ring1][#Branch1][=N][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][S][Ring1][=Branch2][=N][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=C] |
61,029,071 | COc1cccc(CNS(=O)(=O)c2cccnc2NN)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][N][=C][Ring2][Ring1][Ring1] |
8,389,219 | CCNC(=O)[C@H](C)NC(=O)CN(CC)CC(=O)Nc1ccc(OC)cc1 | [C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][N][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] |
2,445,891 | COc1cc2c(cc1OC)CN(C(=O)c1ccc(NS(=O)(=O)c3cc(C)ccc3C)cc1)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][N][Branch2][Ring2][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][C][C][C][Ring2][Ring1][=C] |
167,068,450 | c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccc(-c8cccc9sc%10ccccc%10c89)cc67)cc5)cc4)c4ccc(-c5cccc6sc7ccccc7c56)cc34)ccc2c1 | [C][=C][C][=C][C][=C][Branch2][#Branch2][Ring2][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Branch2][#Branch1][Branch1][C][=C][C][=C][Branch2][=Branch1][=Branch2][C][=C][C][=C][Branch2][Branch1][=N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=Ring1][=Branch2][C][=C][Ring2][Ring2][Branch1][Ring2][Ring1][Ring1][C][=C][Ring2][Ring2][O][C][=C][Ring2][Ring2][P][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=Ring1][=Branch2][C][=C][Ring2][=Branch1][N][Ring2][Ring1][Ring1][C][=C][C][Ring2][#Branch1][C][=C][Ring2][#Branch1][=Branch1] |
42,233,335 | Cc1ccc(O[C@H](C(=O)O)C(C)C)cc1 | [C][C][=C][C][=C][Branch1][#C][O][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=C][Ring1][=C] |
168,425,446 | CC1C(=O)N(CN2C(=O)C=CC2=O)C(=O)C1C.CC1CC(=O)N(CN2C(=O)C=CC2=O)C1=O | [C][C][C][=Branch1][C][=O][N][Branch1][=N][C][N][C][=Branch1][C][=O][C][=C][C][Ring1][=Branch1][=O][C][=Branch1][C][=O][C][Ring1][#C][C].[C][C][C][C][=Branch1][C][=O][N][Branch1][=N][C][N][C][=Branch1][C][=O][C][=C][C][Ring1][=Branch1][=O][C][Ring1][=C][=O] |
110,436,656 | COc1ccc(C(C)(C)C(=O)N2CCN(C)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] |
126,957,096 | Br.O=C(C[n+]1ccc(-c2ccncc2)cc1)c1ccccc1 | [Br].[O][=C][Branch2][Ring1][Ring2][C][N+1][=C][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
106,583,969 | CCCc1nc(Br)c2cc(Cl)cc(Br)c2n1 | [C][C][C][C][=N][C][Branch1][C][Br][=C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Br][C][Ring1][Branch2][=N][Ring1][=N] |
122,671,051 | COc1ccc2c3c1O[C@H]1C(OC(=O)C(C)OC(=O)[C@H](C)NC(=O)OC(C)(C)C)=CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@H1][C][Branch2][Ring1][P][O][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][C][C@@][Branch1][C][O][C@@H1][Branch1][Branch1][C][Ring2][Ring1][=C][N][Branch1][C][C][C][C][C@][Ring2][Ring2][C][Ring2][Ring1][#C][Ring1][=Branch2] |
98,605,857 | C[C@@H](NC(=O)NCc1ncc(-c2ccccc2)o1)[C@@H]1C[C@H]2CC[C@H]1C2 | [C][C@@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C@@H1][C][C@H1][C][C][C@H1][Ring1][=Branch1][C][Ring1][Branch1] |
103,456,409 | COc1ccc(Br)c(CC(O)C(O)C(C)C)c1 | [C][O][C][=C][C][=C][Branch1][C][Br][C][Branch1][#C][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][C][C][=C][Ring1][#C] |
78,895,967 | Cc1ccc(C(=O)N(C)C)cc1OC(=O)c1cc(Cl)c(Cl)[nH]1 | [C][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][NH1][Ring1][#Branch1] |
145,402,354 | COc1ccc(NC(=O)NC23CCC(C(=O)CC4c5ccccc5-c5cncn54)(CC2)CC3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][P][N][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][N][Ring1][Branch1][Ring1][N][Branch1][=Branch1][C][C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][P] |
104,851,570 | Cc1cc(Br)cc(C(=O)Nc2ccc(CC(N)=S)cc2)c1 | [C][C][=C][C][Branch1][C][Br][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][C][Branch1][C][N][=S][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2] |
144,014,042 | CCCCC(CC)CN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(C(C)CC(C)C)C5=O | [C][C][C][C][C][Branch1][Ring1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Branch2][Ring1][P][C][=C][C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][#Branch2][C][Ring2][Ring1][C][=C][Ring1][S][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][=O][=C][Ring1][=C][Ring2][Ring1][C][C][=Branch1][C][=O][N][Branch1][O][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Ring2][Ring1][=Branch2][=O] |
23,336,882 | COc1cccc[n+]1CC(=O)O.[Br-] | [C][O][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][=Branch1][C][=O][O].[Br-1] |
61,681,706 | CCC(CC)NC(=O)COc1ccc(C=O)cc1Cl | [C][C][C][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][Ring1][C][=O][C][=C][Ring1][Branch2][Cl] |
119,936,270 | O=C(CC1CSCCN1)Nc1cccc(NC(=O)C2CC2)c1 | [O][=C][Branch1][#Branch2][C][C][C][S][C][C][N][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Ring1][N] |
11,338,559 | CC(C)(C)OC(=O)CN1CCNCCNCCN(CC(=O)OC(C)(C)C)CC1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][N][C][C][N][C][C][N][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][Ring2] |
96,108,726 | Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCc1nnc(C)n1C | [C][C][=C][Branch1][O][N][C@H1][Branch1][C][C][C][Branch1][C][C][C][C][=C][C][=C][Ring1][N][C][=Branch1][C][=O][N][C][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C] |
108,620,967 | CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOC)C2c2ccccc2OC(C)C)cc1C | [C][C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][/C][Branch1][C][O][=C][/C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][O][C][C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][C][=C][Ring2][Ring1][=N][C] |
161,204,383 | Cc1cc(-c2ccccc2)ncc1-c1ccccc1Br.[B][B]B(B([B])[B])B(B([B])[B])B(B(B(B([B])[B])B([B])[B])B(B([B])[B])B([B])[B])B(B(B(B([B])[B])B([B])[B])B(B([B])[B])B([B])[B])B(B(B([B])[B])B([B])[B])B(B([B])[B])B([B])[B] | [C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Br].[BH0][BH0][B][Branch1][=Branch1][B][Branch1][C][BH0][BH0][B][Branch1][=Branch1][B][Branch1][C][BH0][BH0][B][Branch2][Ring1][=C][B][Branch1][=C][B][Branch1][=Branch1][B][Branch1][C][BH0][BH0][B][Branch1][C][BH0][BH0][B][Branch1][=Branch1][B][Branch1][C][BH0][BH0][B][Branch1][C][BH0][BH0][B][Branch2][Ring1][=C][B][Branch1][=C][B][Branch1][=Branch1][B][Branch1][C][BH0][BH0][B][Branch1][C][BH0][BH0][B][Branch1][=Branch1][B][Branch1][C][BH0][BH0][B][Branch1][C][BH0][BH0][B][Branch1][=C][B][Branch1][=Branch1][B][Branch1][C][BH0][BH0][B][Branch1][C][BH0][BH0][B][Branch1][=Branch1][B][Branch1][C][BH0][BH0][B][Branch1][C][BH0][BH0] |
171,153,214 | O=C1CCC[C@H]2C3CC(CN(Cc4cccc5nonc45)C3)CN12 | [O][=C][C][C][C][C@H1][C][C][C][Branch2][Ring1][=Branch1][C][N][Branch1][#C][C][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1][C][Ring1][S][C][N][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring1] |
24,715,962 | CCOc1cccc(N2CCN(C(=O)C(C)C)C(C)C2=O)c1 | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][N][=O][=C][Ring2][Ring1][Ring1] |
108,715,815 | CCOc1cc(C2/C(=C(\O)c3ccc(Br)c(C)c3)C(=O)C(=O)N2c2ccc(F)c(Cl)c2)ccc1O | [C][C][O][C][=C][C][Branch2][Ring2][P][C][/C][=Branch2][Ring1][Ring1][=C][Branch1][C][\O][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Ring1][P][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][C][=C][Ring2][Ring1][#C][O] |
82,220,812 | Cc1ccccc1-c1c(CO)nnn1-c1nccs1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][Ring1][C][O][N][=N][N][Ring1][#Branch1][C][=N][C][=C][S][Ring1][Branch1] |
56,375,515 | Cc1nc(CN(C)C(=O)c2ccccc2N(C)C(=O)C2CC2)nc2ccccc12 | [C][C][=N][C][Branch2][Ring1][#C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=N][C][=C][C][=C][C][=C][Ring2][Ring1][N][Ring1][=Branch1] |
6,452,860 | CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC | [C][C][C][C][C][C][C][C][C][C][C][C][C][/C][=C][/C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][=Branch1][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][N][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] |
112,897,711 | CCN(c1nccc(Nc2ccccc2C(=O)OC)n1)C1CCS(=O)(=O)C1 | [C][C][N][Branch2][Ring1][#Branch2][C][=N][C][=C][C][Branch1][S][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=N][Ring1][P][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1] |
11,166,311 | CCCCCCCNC(=O)N(C)c1ccc(-c2ccc(CC(OCC)C(=O)O)cc2)o1 | [C][C][C][C][C][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][C][Branch1][Ring2][O][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=C][O][Ring2][Ring1][Ring1] |
51,532,777 | C[C@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(F)cc1 | [C][C@H1][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=N][Ring1][Branch2][C][C][Ring1][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
71,449,311 | CC(C)(C)NC(=O)O[C@@H]1C[C@@H](C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)[C@@H]4C[C@@H](OC(=O)NC(C)(C)C)CN4C(=O)OCc4ccccc4)cc3)cc2)N(C(=O)OCc2ccccc2)C1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][O][C@@H1][C][C@@H1][Branch2][=Branch1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Branch1][=Branch2][/C][=C][/C][=C][C][=C][Branch2][Ring2][O][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][#C][O][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][N][Ring1][=N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][S][C][=C][Ring2][Ring2][Branch2][N][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Branch1][#Branch2] |
154,478,977 | CN(C)C(=O)CC1CCCN1C(=O)OCc1ccc([N+](=O)[O-])cc1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2] |
100,416,486 | C[C@@H](C(=O)NC(C)(C)Cc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O | [C][C@@H1][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] |
87,758,346 | C=CS(=O)(=O)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(C(=O)O)c1ccccc1 | [C][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
126,403,639 | COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCC(=O)Nc4ccccc4C)c(OC)c3)C2=O)o1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][Ring2][C][N][C][=Branch1][C][=O][N][/C][=Branch2][Ring2][Ring2][=C][\C][=C][C][Branch1][C][Br][=C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1][C][Ring2][Ring1][N][=O][O][Ring2][Ring2][Ring1] |
154,640,739 | CN1CCN(Cc2nc3ccc(Nc4ncc(Cl)c(Nc5ccccc5C(=O)N(C)C)n4)cc3[nH]2)CC1 | [C][N][C][C][N][Branch2][Branch1][=Branch1][C][C][=N][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][=N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch2][NH1][Ring2][Ring1][=N][C][C][Ring2][Ring2][Ring2] |
55,070,702 | CC(C)NCCCN1CCN(C(C)(C)C)CC1 | [C][C][Branch1][C][C][N][C][C][C][N][C][C][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][#Branch2] |
101,689,316 | CC1SC(=O)C=C(c2ccccc2)N(c2ccccc2)C1=O | [C][C][S][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O] |
53,209,677 | O=C(NC(=NCCc1c[nH]c2ccccc12)Nc1ccc(F)cc1)c1ccccc1 | [O][=C][Branch2][Ring1][P][N][C][=Branch1][P][=N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
80,670,410 | CC12CC3CC(C)(C1)CC(CC(=O)N1CCC(Br)C1)(C3)C2 | [C][C][C][C][C][C][Branch1][C][C][Branch1][Ring2][C][Ring1][#Branch1][C][C][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][Br][C][Ring1][=Branch1][Branch1][Ring2][C][Ring1][P][C][Ring2][Ring1][Ring2] |
87,877,120 | O=S(=O)(O)OC(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO | [O][=S][=Branch1][C][=O][Branch1][C][O][O][C][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O] |
103,529,210 | CC1(NCc2ccc(Br)o2)CCN(C(=O)OC(C)(C)C)CC1 | [C][C][Branch1][=N][N][C][C][=C][C][=C][Branch1][C][Br][O][Ring1][=Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][Branch1] |
3,963,739 | Nc1ccc(C(O)C(O)CO)cc1 | [N][C][=C][C][=C][Branch1][O][C][Branch1][C][O][C][Branch1][C][O][C][O][C][=C][Ring1][N] |
63,449,720 | Cc1ccc(CNc2cccc(OCC(C)C)c2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=C][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][C][C][=C][Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] |
13,642,803 | Cc1cc(C(C)(C)C)cnn1 | [C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][N][=N][Ring1][#Branch2] |
168,812,380 | O=c1c2ccccc2oc2ccc(-c3ccc4c(c3)N3c5ccccc5Oc5cccc(c53)O4)cc12 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][Ring1][=C][O][Ring2][Ring1][C][C][=C][Ring2][Ring2][Ring1][Ring2][Ring1][O] |
9,638,028 | Cc1cc(N/N=C/c2cccc(F)c2)nc(N2CCOCC2)n1 | [C][C][=C][C][Branch1][#C][N][/N][=C][/C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] |
65,603,366 | COCCNCc1cc(Br)ccc1OCc1ncnn1C | [C][O][C][C][N][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][C][=N][C][=N][N][Ring1][Branch1][C] |
140,492,555 | COC1=C(C)C(C(=O)O)=C(C)C(C)(C)C1C=CC(=O)c1ccc(Cl)cc1OC | [C][O][C][=C][Branch1][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=N][C][=C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C] |
10,118,310 | CCCC(CC1CCN(C[C@H]2CN(Cc3ccc(Cl)cc3Cl)C[C@@H]2c2ccsc2)CC1)OC | [C][C][C][C][Branch2][Ring2][N][C][C][C][C][N][Branch2][Ring1][#C][C][C@H1][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][C@@H1][Ring1][=C][C][C][=C][S][C][=Ring1][Branch1][C][C][Ring2][Ring1][#Branch2][O][C] |
90,885,039 | Cc1cc(C2CCN(S(=O)(=O)OC(=O)C3CCOCC3)CC2)ccc1-c1cccc(O)c1 | [C][C][=C][C][Branch2][Ring1][P][C][C][C][N][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=Branch1][C][=O][C][C][C][O][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][C][=C][C][=C][Ring2][Ring1][Branch2][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] |
117,483,256 | COc1cc(C)c(C2(N)CCC2)c(Br)c1OC | [C][O][C][=C][C][Branch1][C][C][=C][Branch1][#Branch2][C][Branch1][C][N][C][C][C][Ring1][Branch1][C][Branch1][C][Br][=C][Ring1][=N][O][C] |
4,091,629 | Cc1ccccc1N1C(=O)C(=Cc2c(C)n(Cc3ccccc3Cl)c3ccccc23)SC1=S | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=Branch2][Ring1][#C][=C][C][=C][Branch1][C][C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1][S][C][Ring2][Ring1][=Branch2][=S] |
53,502,967 | CC(Cc1ccco1)NC(=O)NC1CCCc2c1cnn2CCO | [C][C][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][O] |
65,204,321 | CC(C)c1nnsc1C(=O)N1CCN(CC#N)CC1 | [C][C][Branch1][C][C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][Ring2][C][C][#N][C][C][Ring1][=Branch2] |
169,675,873 | COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(N)=O)C2CCC2)cc2cn(C(F)F)nc12 | [C][O][C][=C][C][Branch2][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C@][Branch1][C][O][Branch2][Ring2][=Branch1][C][=C][C][=C][Branch2][Ring1][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][=N][O][C][C@][Ring1][=C][Branch1][C][C][C][Branch1][C][N][=O][C][C][C][C][Ring1][Ring2][=C][C][=C][N][Branch1][=Branch1][C][Branch1][C][F][F][N][=C][Ring2][Ring2][#Branch2][Ring1][Branch2] |
4,950,606 | CCCCCCCOc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1 | [C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][C] |
157,944,806 | CCOC(=O)CCCCNC(=O)[C@@]1(c2ccccc2)CC[C@H](C(=O)N2CCC(NC(=O)c3ccccc3OC)CC2)c2ccccc21.S | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][C][=Branch1][C][=O][C@@][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@H1][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][Ring1].[S] |
123,972,864 | CCc1cc(Br)ccc1C1Cc2cc(Br)ccc2N1 | [C][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2] |
123,652,050 | CCC(C)(C)C(=O)OC1C(=O)OC2C=CCC21.CCC(C)(C)C(=O)OC1C2CC3CC2C(=O)OC31 | [C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O][C][C][=C][C][C][Ring1][Branch1][Ring1][=Branch2].[C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O][C][Ring1][#Branch1][Ring1][#Branch2] |
126,377,969 | CCOc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)c1OCC(=O)O | [C][C][O][C][=C][C][=C][C][Branch2][Ring2][=Branch1][/C][=C][\S][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][Ring2][Ring1][Ring1][=O][=C][Ring2][Ring1][O][O][C][C][=Branch1][C][=O][O] |
108,968,766 | CC(C)(C(=O)Nc1ccc(C#N)cc1)C(=O)Nc1ccccc1F | [C][C][Branch1][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
142,961,715 | CC.N#Cc1c[nH]c(=O)c(-c2ccccc2)c1 | [C][C].[N][#C][C][=C][NH1][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N] |
169,405,775 | CC(C)OCc1cc(F)ccc1-c1c(C(=O)O)c(N)[nH]c(=O)c1C(=O)O | [C][C][Branch1][C][C][O][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][C][N][NH1][C][=Branch1][C][=O][C][=Ring1][O][C][=Branch1][C][=O][O] |
70,200,740 | CCCCCc1nn(CCC(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | [C][C][C][C][C][C][=N][N][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][O][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P] |
115,316,784 | CNCC1CCCN1C(C)CC(=O)OC | [C][N][C][C][C][C][C][N][Ring1][Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C] |