CID
int64 8
172M
| SMILES
large_stringlengths 1
3.78k
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stringlengths 3
9.88k
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|---|---|---|
136,044,749 | CCCOC1CCCN(C(=O)Cc2c(C)nc(C)[nH]c2=O)C1 | [C][C][C][O][C][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][=C][Branch1][C][C][NH1][C][Ring1][Branch2][=O][C][Ring2][Ring1][C] |
109,246,352 | O=C(Nc1c(Cl)cccc1Cl)c1cncc(Nc2c(F)cccc2F)c1 | [O][=C][Branch1][=C][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][N][=C][C][Branch1][=C][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=C][Ring1][#C] |
21,415,573 | CCCC1=C(O)C(=O)C(CCC)O1 | [C][C][C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][Branch1][Ring2][C][C][C][O][Ring1][#Branch2] |
4,621,156 | CCOC(=O)c1c(NC(=O)CSc2nnc(Cc3ccccc3)o2)sc2c1CCCC2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][N][S][C][=C][Ring2][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1] |
784,657 | O=C(c1cccnc1)N1N=C2CCCC[C@@H]2[C@@]1(O)C(F)(F)F | [O][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][N][=C][C][C][C][C][C@@H1][Ring1][=Branch1][C@@][Ring1][=Branch2][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
106,342,440 | CCCc1cc(C(=O)NCCS(=O)(=O)NC)cc(NC)n1 | [C][C][C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][N][C][=N][Ring2][Ring1][C] |
145,292,628 | CC1CN(C(=O)OCCF)CCN(C(=O)c2ccc3c(Cl)cc(C4CC4)nc3c2)C1C | [C][C][C][N][Branch1][=Branch2][C][=Branch1][C][=O][O][C][C][F][C][C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][Ring1][#Branch2][=C][Ring1][=C][C][Ring2][Ring1][=N][C] |
172,189,286 | CCCCC#Cc1ccc(-c2ccc(C#Cc3ccc(N=C=S)c(F)c3)cc2)cc1 | [C][C][C][C][C][#C][C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring1][C][#C][C][=C][C][=C][Branch1][Ring2][N][=C][=S][C][Branch1][C][F][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] |
115,542,225 | NCCNc1cccc(C(=O)O)c1[N+](=O)[O-] | [N][C][C][N][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1] |
62,895,535 | NCc1ncccc1COC1CCCC1 | [N][C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][O][C][C][C][C][C][Ring1][Branch1] |
86,724,892 | CC(C)CNc1nc(-c2ccccc2)c(Cl)n2c(Br)cnc12 | [C][C][Branch1][C][C][C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][Cl][N][C][Branch1][C][Br][=C][N][=C][Ring1][P][Ring1][=Branch1] |
123,649,597 | Nc1cccc(CCOc2ccc(-c3ccno3)cc2)c1 | [N][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][C][O][C][=C][C][=C][Branch1][Branch2][C][=C][C][=N][O][Ring1][Branch1][C][=C][Ring1][O][=C][Ring2][Ring1][Ring2] |
65,517,697 | O=C(NC(CO)CO)C1COCCN1 | [O][=C][Branch1][=Branch2][N][C][Branch1][Ring1][C][O][C][O][C][C][O][C][C][N][Ring1][=Branch1] |
135,746,272 | CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)C2CCCN2C(=O)C(C)=O)[C@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@@H](C(C)C)NC(=O)C[C@H]1O | [C][C][C@H1][Branch1][C][C][C@H1][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][C][=O][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@H1][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C@H1][Ring2][=Branch1][#Branch2][O] |
11,279,981 | COc1cc(-c2ccc([N+](=O)[O-])cc2)ccc1C(=O)Nc1cccc(O)c1 | [C][O][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=C][C][=C][Ring1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] |
115,307,844 | CC(CN)(NS(=O)(=O)c1ccc(F)cc1Cl)C1CC1 | [C][C][Branch1][Ring1][C][N][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][C][C][C][Ring1][Ring1] |
139,456,790 | CNCCN(C)CC1=NN2CCCC2C1C1CCC2(CC1)CC(C)(C)CO2 | [C][N][C][C][N][Branch1][C][C][C][C][=N][N][C][C][C][C][Ring1][Branch1][C][Ring1][Branch2][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][=Branch2] |
134,970,958 | CC(C)(C)[Si](OC[C@H](N)CN1CCOCC1)(c1ccccc1)c1ccccc1 | [C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][S][O][C][C@H1][Branch1][C][N][C][N][C][C][O][C][C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
158,084,019 | CCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](CC(=O)c4ccc(OC)cc4)C(=O)N[C@H](C)C(=O)O)cc3)nc2)cc1 | [C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Branch1][=N][C][=C][N][=C][Branch2][Ring2][P][C][=C][C][=C][Branch2][Ring2][Branch1][C][C@H1][Branch2][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][O][N][=C][Ring2][Ring1][P][C][=C][Ring2][Ring2][#Branch1] |
163,174,803 | CN1CCC[C@H]1C1=C[NH+]([C@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)CC=C1 | [C][N][C][C][C][C@H1][Ring1][Branch1][C][=C][NH1+1][Branch2][Ring1][#Branch1][C@H1][O][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][O][O][C][C][=C][Ring2][Ring1][C] |
88,692,201 | C=CC[Si]OC(CC)OC | [C][=C][C][Si][O][C][Branch1][Ring1][C][C][O][C] |
130,280,622 | CS(=O)(=O)c1ccc(-c2ccc(C[C@@H](CN)NC(=O)C3NC4CCC3C4)cc2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C@@H1][Branch1][Ring1][C][N][N][C][=Branch1][C][=O][C][N][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2] |
23,069,289 | SCSC1CCSC(SC2CC(SC3SCCC(SCS)S3)SCS2)S1 | [S][C][S][C][C][C][S][C][Branch2][Ring1][#Branch2][S][C][C][C][Branch1][#C][S][C][S][C][C][C][Branch1][Ring2][S][C][S][S][Ring1][=Branch2][S][C][S][Ring1][S][S][Ring2][Ring1][#Branch1] |
71,637,641 | CC(NC1CCC(N)CC1)c1ccc[nH]1.Cl | [C][C][Branch1][=N][N][C][C][C][C][Branch1][C][N][C][C][Ring1][#Branch1][C][=C][C][=C][NH1][Ring1][Branch1].[Cl] |
47,216,479 | CC(C)NC(=O)NCC(=O)NCc1ccccc1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
10,063,934 | COc1cc(C=O)c2c(c(C)c(-c3ccc(C)cc3)n2C)c1O | [C][O][C][=C][C][Branch1][Ring1][C][=O][=C][C][Branch2][Ring1][#Branch1][C][Branch1][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][Ring1][=N][C][=C][Ring2][Ring1][Ring2][O] |
21,174,314 | Cc1cccc(NC(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C@@H1][C][C@@H1][C][C][C@@H1][Ring1][=Branch1][C][Ring1][Branch1][=C][Ring1][P][C] |
138,226,776 | CC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OCC(COC(=O)CCCCC/C=C\C=C/CCCC)OC(=O)CCCCC/C=C\CCCCCCCC | [C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][Ring2][C][O][C][=Branch1][C][=O][C][C][C][C][C][/C][=C][\C][=C][/C][C][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C] |
153,623,544 | CCCNC(=O)NCCCn1c(NC(=O)c2cc(Cc3ccccc3COC(=O)NCCCn3c(NC(=O)c4cc(C)nn4CC)nc4cc(C(N)=O)ncc43)nn2CC)nc2cc(C(N)=O)cc(OC)c21 | [C][C][C][N][C][=Branch1][C][=O][N][C][C][C][N][C][Branch2][=Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Branch1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][N][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][C][=N][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=N][C][=C][Ring1][=Branch2][Ring2][Ring1][#Branch1][=N][N][Ring2][Ring2][O][C][C][=N][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][Branch1][Ring1][O][C][=C][Ring1][O][Ring2][Branch1][=C] |
3,997,288 | Cc1cccc(C=Nc2cccc(C(N)=O)c2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][=C][Ring1][P] |
58,511,053 | Fc1ccc2oc3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8ccc(F)cc8c7c6)ccc54)cc3c2c1 | [F][C][=C][C][=C][O][C][=C][C][=C][Branch2][=Branch1][Ring2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch2][Ring2][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][=C][C][=C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][#Branch2][=C][Ring1][=C][=C][C][=C][Ring2][Ring1][P][Ring2][Ring2][Branch2][C][=C][Ring2][Ring2][=C][C][Ring2][Ring2][P][=C][Ring2][Branch1][Branch1] |
59,657,445 | COc1cc(-c2nn(C3CCN(Cc4nccs4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1ccc(C(F)(F)F)cc1F | [C][O][C][=C][C][Branch2][Ring2][#Branch1][C][=N][N][Branch2][Ring1][Ring1][C][C][C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][N][C][=N][C][=N][C][Branch1][C][N][=C][Ring2][Ring1][=Branch1][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][F] |
55,056,814 | Cc1ccc(C(N)=O)c(NC2(C(=O)O)CCCC2)c1 | [C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][S][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][Ring1][Branch2][=C][Ring2][Ring1][C] |
143,332,017 | C#C/C(=C\C=C(/C)Nc1nc(-c2cccs2)nc(C)c1CC)C(=O)OC | [C][#C][/C][=Branch2][Ring1][=C][=C][\C][=C][Branch1][C][/C][N][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][C][Branch1][C][C][=C][Ring1][N][C][C][C][=Branch1][C][=O][O][C] |
107,361,608 | Cc1cccc(CCC(=O)c2sccc2Cl)c1 | [C][C][=C][C][=C][C][Branch1][#C][C][C][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][Cl][=C][Ring1][S] |
117,444,902 | CCc1c(OC)ccc(OC)c1C1(CN)CCCCC1 | [C][C][C][=C][Branch1][Ring1][O][C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][Branch1][Ring1][C][N][C][C][C][C][C][Ring1][Branch2] |
57,858,434 | CC1C2CC(COC(C)(C)C3=Cc4cccc5cccc(c45)C3)C(C2)C1C | [C][C][C][C][C][Branch2][Ring1][#C][C][O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring1][=N][C][Branch1][Branch1][C][Ring2][Ring1][#Branch1][C][Ring2][Ring1][=Branch2][C] |
53,641,785 | O=C(O)COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1 | [O][=C][Branch1][C][O][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][C] |
170,787,224 | CC/C=C(/C=C\N(C)c1ccc(CN2C(=O)[C@H](NC(=O)OC(C)(C)C)CC(C)(F)c3cc(F)c(-c4nnc(C(C)(C)C#N)o4)cc32)cc1)C(F)(F)F | [C][C][/C][=C][Branch2][#Branch1][Branch1][/C][=C][\N][Branch1][C][C][C][=C][C][=C][Branch2][=Branch1][Ring1][C][N][C][=Branch1][C][=O][C@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Branch1][C][C][Branch1][C][F][C][=C][C][Branch1][C][F][=C][Branch2][Ring1][Ring1][C][=N][N][=C][Branch1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][#N][O][Ring1][#Branch2][C][=C][Ring1][P][Ring2][Ring1][P][C][=C][Ring2][Ring2][Branch2][C][Branch1][C][F][Branch1][C][F][F] |
23,040,095 | CCc1cc(=O)c(C(=O)Nc2ccccc2Cl)c(C)n1Cc1ccccc1 | [C][C][C][=C][C][=Branch1][C][=O][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Branch1][C][C][N][Ring2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
111,815,851 | CCOc1ccc(OCC)c(NC(N)=NCc2noc(C(C)(C)C)n2)c1.I | [C][C][O][C][=C][C][=C][Branch1][Ring2][O][C][C][C][Branch2][Ring1][=Branch2][N][C][Branch1][C][N][=N][C][C][=N][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][Ring1][=Branch2][=C][Ring2][Ring1][#Branch1].[I] |
133,972,885 | CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCn1nnc2ccccc2c1=O | [C][C][Branch1][C][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] |
142,661,150 | CCOC1CC(C2=CCCN(C)C2C)=NO1 | [C][C][O][C][C][C][Branch1][=N][C][=C][C][C][N][Branch1][C][C][C][Ring1][#Branch1][C][=N][O][Ring1][=N] |
18,234,875 | CC(N)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NCC(=O)O | [C][C][Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O] |
158,467,836 | CCCCSC1(C(C)(C)C2C=CC=C2)CC=C(C)C=C1C(C)(C)C | [C][C][C][C][S][C][Branch1][#C][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][Ring1][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][#C][C][Branch1][C][C][Branch1][C][C][C] |
136,754,946 | N#Cc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc(Cl)cc2)N3)cc1 | [N][#C][C][=C][C][=C][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C@H1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring2][Ring1][C][C][=C][Ring2][Ring1][=N] |
11,507,274 | OC(CCl)CSC(=S)N1CCCCCC1 | [O][C][Branch1][Ring1][C][Cl][C][S][C][=Branch1][C][=S][N][C][C][C][C][C][C][Ring1][#Branch1] |
22,628,645 | C=CC(=O)OCCCCCCOc1c(Br)cc(Br)cc1CCCCCCCCCCCC | [C][=C][C][=Branch1][C][=O][O][C][C][C][C][C][C][O][C][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][C][C][C][C][C][C][C][C][C][C][C][C] |
100,269,851 | COc1ccccc1OCCNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][=Branch1][C][=O][C][N][Branch1][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] |
47,366,066 | CC(=O)Nc1ccc(F)c(C(=O)Nc2nnc(C)s2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][S][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][=C][Ring1][S] |
2,506,195 | CC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][O][=C][Ring2][Ring1][Ring2] |
115,738,597 | CN(CC(F)F)C(=O)CCC(C)(C)N | [C][N][Branch1][#Branch1][C][C][Branch1][C][F][F][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][N] |
145,664,942 | C=O.C=O.CC.CCCCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc(/C(=C\N)c5cc(F)cc(CNC)c5)c(C)[nH]4)c3c2)c1 | [C][=O].[C][=O].[C][C].[C][C][C][C][C][=Branch1][C][=O][N][C][=C][N][=C][C][Branch2][Branch1][=Branch1][C][C][=N][C][=N][NH1][C][Branch2][Ring2][Ring2][C][=N][C][Branch2][Ring1][=Branch1][/C][=Branch1][Ring1][=C][\N][C][=C][C][Branch1][C][F][=C][C][Branch1][Ring2][C][N][C][=C][Ring1][#Branch2][=C][Branch1][C][C][NH1][Ring2][Ring1][Ring1][=C][Ring2][Ring1][Branch2][C][=Ring2][Ring1][N][=C][Ring2][Ring2][C] |
157,635,055 | CCC(COCCC(=O)CCCCCCCCC(=O)ON1C(=O)CCC1=O)(COCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O)COCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O.O=C(CCCCCCCCC(=O)ON1C(=O)CCC1=O)CCOCC(COCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O)(COCCC(=O)NCCCCCCCC(=O)ON1C(=O)CCC1=O)NC(=O)CCCCCCCNC(=O)OCC(Cl)(Cl)Cl | [C][C][C][Branch2][Ring1][P][C][O][C][C][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O][Branch2][Ring1][P][C][O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O][C][O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O].[O][=C][Branch2][Ring1][=Branch2][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O][C][C][O][C][C][Branch2][Ring1][P][C][O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O][Branch2][Ring1][P][C][O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl] |
104,020,262 | CC(C)Cn1c(-c2ccc(Br)cc2)nnc1S(=O)(=O)Cl | [C][C][Branch1][C][C][C][N][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][Cl] |
87,907,062 | O=C(O)CONC(=O)/C(=C\c1ccc(Oc2ccccc2Br)cc1)NC(=O)c1ccccc1 | [O][=C][Branch1][C][O][C][O][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][=Branch1][=C][\C][=C][C][=C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
87,599,714 | CCOc1ccc(/C(=C/C=C/C(=O)Nc2cccc3c2CC(NC(=O)OC(C)(C)C)C(=O)N3)c2ccc(C(F)(F)F)cc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Branch1][S][/C][=Branch2][Ring2][#Branch2][=C][/C][=C][/C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][#C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring2][#Branch2] |
4,101,523 | COc1c(Br)c(C(=O)OC(C)C(=O)Nc2ccc(C)cc2)c(Br)c(OC)c1OC | [C][O][C][=C][Branch1][C][Br][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Branch1][C][Br][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2][O][C] |
144,244,543 | C=C/C=C\C1=C(C)C2(c3cc4c5ccc(-c6cccc7ccccc67)cc5n(-c5ccccc5)c4cc31)c1ccccc1-c1ccccc12 | [C][=C][/C][=C][\C][=C][Branch1][C][C][C][Branch2][Branch1][Ring1][C][=C][C][C][=C][C][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring1][S][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][=N][Ring2][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][#Branch2] |
6,913,136 | [3H]C(/C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C([3H])\C(C)=C/C(=O)O | [3H][C][Branch2][Ring1][#Branch1][/C][=C][Branch1][C][C][\C][=C][\C][=C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][Branch1][C][C][C][=C][Branch1][C][3H][\C][Branch1][C][C][=C][/C][=Branch1][C][=O][O] |
91,580,354 | CN=Nc1cccc(Cl)c1 | [C][N][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
164,423,733 | CCCC/C=C\CCCCCCCC(=O)NC(COP(=O)([O-])OCC[N+](C)(C)C)C(/C=C/CCCCCCCCCCC)OC(=O)CCCCC/C=C\CCCCCCCC | [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][/C][=C][/C][C][C][C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C] |
163,134,587 | COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@@H](c4cccc([C@@]56CCCC[C@@H]5C=Cc5ccccc56)c4)C=C[C@H]2c2ccc4c(c2)CC[C@@H]2[C@H]5C=Cc6ccccc6[C@H]5C[C@@H]2[C@](C)(O3)[C@H]1OC(=O)/C(=C(/C)CO)CC4 | [C][O][C][C@@H1][Branch1][Ring2][C][C][O][C][=C][Branch1][Ring1][C][O][C][=C][C][=C][C][=Branch1][=Branch2][=C][Ring1][=Branch1][O][C][Ring1][N][=O][C@H1][O][C][=Branch1][C][=O][C][C@@H1][C][C@@H1][Branch2][Ring1][P][C][=C][C][=C][C][Branch2][Ring1][Branch1][C@@][C][C][C][C][C@@H1][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][=C][Ring2][Ring1][Ring2][C][=C][C@H1][Ring2][Ring1][#Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C@@H1][C@H1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring1][#Branch2][C][C@@H1][Ring1][=N][C@][Branch1][C][C][Branch1][Branch1][O][Ring2][Branch1][=N][C@H1][Ring2][Branch1][Branch2][O][C][=Branch1][C][=O][/C][=Branch1][#Branch1][=C][Branch1][C][/C][C][O][C][C][Ring2][Ring1][S] |
121,614,787 | COc1ccc(C(=O)NCC2NCCc3ccccc32)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2][O][C] |
163,414,604 | CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccccc6c45)n3)ccc2-c2c(ccc3c2sc2ccccc23)C1(C)C | [C][C][Branch1][C][C][C][=C][C][Branch2][Ring2][#Branch2][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch2][Ring1][Ring2][C][=C][C][=C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=Ring1][=Branch2][=N][Ring2][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][#C][C][=C][Branch2][Ring1][C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Ring2][Ring2][#C][Branch1][C][C][C] |
102,136,899 | CCCCSC1=C(SCCCC)SC(=Cc2ccc(-c3ccc(/C=C(\C#N)C(=O)O)s3)s2)S1 | [C][C][C][C][S][C][=C][Branch1][=Branch1][S][C][C][C][C][S][C][=Branch2][Ring1][S][=C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][N][/C][=C][Branch1][Ring1][\C][#N][C][=Branch1][C][=O][O][S][Ring1][N][S][Ring1][P][S][Ring2][Ring1][N] |
110,141,454 | CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)CN1CCCCCC1=O | [C][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C][C@@][Branch1][C][C][C@H1][Branch1][O][C][C][C][C][C@@H1][Ring2][Ring1][Ring1][Ring1][Branch2][N][Ring1][O][C][=Branch1][C][=O][C][N][C][C][C][C][C][C][Ring1][#Branch1][=O] |
168,137,450 | COc1ccc(CNC(=O)Nc2ccc(CN3CCC(O)CC3)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][=C][Ring1][=C][C][=C][Ring2][Ring1][=Branch2] |
43,350 | CC(C)(C)N=C(NC#N)Nc1ccccn1 | [C][C][Branch1][C][C][Branch1][C][C][N][=C][Branch1][Ring2][N][C][#N][N][C][=C][C][=C][C][=N][Ring1][=Branch1] |
169,927,610 | CCCN(C)C(=O)c1nc(N)c2ncc(Cc3cnc(N4CCNCC4)c(C)c3)n2n1 | [C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][=C][Branch1][C][N][C][=N][C][=C][Branch2][Ring1][#Branch1][C][C][=C][N][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][=N][N][Ring2][Ring1][Ring1][N][=Ring2][Ring1][Branch2] |
144,333,445 | ON(O)C(C(F)C(F)(F)C(F)(F)F)(C(F)(F)F)C(F)(F)F | [O][N][Branch1][C][O][C][Branch2][Ring1][Ring2][C][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F] |
24,944,783 | CC(C)(O)c1cccc(-c2ncnc3ccc(OCc4ccc5ccccc5n4)cc23)c1 | [C][C][Branch1][C][C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring2][Ring1][C][=N][C][=N][C][=C][C][=C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][C][=C][Ring2][Ring1][N] |
46,376,707 | COCCCNC(=O)c1ccc(OCc2nnc(C(=O)Nc3cccc(F)c3)s2)cc1 | [C][O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][N][O][C][C][=N][N][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][S][Ring1][#C][C][=C][Ring2][Ring1][#Branch1] |
115,825,115 | Cn1nc(C2CCCCC2)nc1-c1ccc(CN)o1 | [C][N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][Branch1][Ring1][C][N][O][Ring1][#Branch1] |
126,810,104 | O=C(Cc1ccoc1)NCCN1CCN(c2ncccn2)CC1 | [O][=C][Branch1][=Branch2][C][C][C][=C][O][C][=Ring1][Branch1][N][C][C][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] |
170,175,967 | C#Cc1cc(F)c(F)cc1C(=C)Nc1cc(C#N)ccc1N1CCC(Cc2ccc(F)cc2F)CC1 | [C][#C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][=Branch1][C][=C][N][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][N][C][C][C][Branch1][=C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][Ring1][#C] |
23,954,629 | CC(C)N1C/C=C\CCC(=O)N(C)[C@@H](C)[C@H](c2ccccc2)OC(=O)[C@H]2[C@@H]3O[C@@]4(C=C3Br)[C@@H]2C(=O)N(CCO)[C@@H]4C1=O | [C][C][Branch1][C][C][N][C][/C][=C][\C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][C][C][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C@H1][C@@H1][O][C@@][Branch1][=Branch1][C][=C][Ring1][Branch1][Br][C@@H1][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C@@H1][Ring1][N][C][Ring2][Ring2][=Branch1][=O] |
3,217,114 | CCCC(=O)N(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1ccc(F)cc1 | [C][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=Branch2][C][=Ring1][Branch1][C][Branch1][C][N][=O][C][C][C][C][Ring1][#Branch2][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
162,694,260 | CCCCC(CC)Cn1c2ccc(C3c4ccccc4-c4ccccc43)cc2c2cc(C3c4ccccc4-c4ccccc43)ccc21 | [C][C][C][C][C][Branch1][Ring1][C][C][C][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][Ring2][Ring1][Ring1][C][=C][C][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][=C][C][=C][Ring2][Ring1][Ring1][Ring2][Ring2][#Branch1] |
11,007,847 | CC1(C=O)CCCC1 | [C][C][Branch1][Ring1][C][=O][C][C][C][C][Ring1][#Branch1] |
171,593,181 | CCOc1cc(-c2cnc(N3CC[C@H](NC(=O)c4cc(F)ccc4Cl)[C@@H](O)C3)cn2)c2c3cn[nH]c3nn2c1 | [C][C][O][C][C][=C][Branch2][Ring2][=N][C][=C][N][=C][Branch2][Ring1][P][N][C][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Cl][C@@H1][Branch1][C][O][C][Ring2][Ring1][C][C][=N][Ring2][Ring1][Branch2][C][=C][C][=N][NH1][C][Ring1][Branch1][=N][N][Ring1][Branch2][C][=Ring2][Ring2][Ring2] |
66,630,778 | NC(=O)c1ccccc1I.Nc1cnnc2cc3c(cc12)OCO3 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][I].[N][C][=C][N][=N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][O][C][O][Ring1][#Branch1] |
101,971,946 | CCCCCC/C=C/CCCCCCCCCCOC(=O)c1ccccc1C(=O)[O-].CCCCCC/C=C/CCCCCCCCCCOC(=O)c1ccccc1C(=O)[O-].[CH2]CCCCCCC.[CH2]CCCCCCC.[Sn+2] | [C][C][C][C][C][C][/C][=C][/C][C][C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[C][C][C][C][C][C][/C][=C][/C][C][C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O-1].[CH2][C][C][C][C][C][C][C].[CH2][C][C][C][C][C][C][C].[Sn+2] |
66,267,146 | CNC1COCC1C(=O)NCc1ccc(C)cc1 | [C][N][C][C][O][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] |
65,645,721 | COc1cccc(-c2ncnc(Cl)c2C)c1 | [C][O][C][=C][C][=C][C][Branch1][=N][C][=N][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][=C] |
8,537,251 | O=C(CCCNS(=O)(=O)c1ccc(F)cc1F)OCc1ccccc1 | [O][=C][Branch2][Ring1][Branch2][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
73,970,878 | COC(=O)CC[C@H](NC(=O)c1ccc(F)cc1F)C(N)=O | [C][O][C][=Branch1][C][=O][C][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][Branch1][C][N][=O] |
4,033,017 | CC(=O)c1cccc(N(CC(=O)NCCSC(C)(C)C)S(C)(=O)=O)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=C][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][C][S][C][Branch1][C][C][Branch1][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][=Branch1] |
161,466,354 | C=CC(N)=O.NC(=O)CCC([N+](=O)[O-])S(=O)(=O)Oc1ccccc1.O=CO[O-].O=[N+]([O-])CS(=O)(=O)Oc1ccccc1.[H-].[K+].[K+] | [C][=C][C][Branch1][C][N][=O].[N][C][=Branch1][C][=O][C][C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][O][O-1].[O][=N+1][Branch1][C][O-1][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1].[H-1].[K+1].[K+1] |
42,581,491 | COc1ccc(S(=O)(=O)c2c(C)c(C)n(C3CCCC3)c2NC(=O)C(C)C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][=C][Branch1][C][C][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][=Ring1][N][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][Ring2][Ring1][O] |
18,507,534 | Cc1ccn(-c2nc(N)nc(SCCc3ccccn3)c2C#N)n1 | [C][C][C][=C][N][Branch2][Ring1][O][C][=N][C][Branch1][C][N][=N][C][Branch1][N][S][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][S][C][#N][N][=Ring2][Ring1][#Branch1] |
61,709,987 | Cc1nc(C)n(-c2cc(N)ccn2)n1 | [C][C][N][=C][Branch1][C][C][N][Branch1][N][C][=C][C][Branch1][C][N][=C][C][=N][Ring1][#Branch1][N][=Ring1][=N] |
130,514,084 | CC(=O)C(C)(C#N)CC(C)(C)O | [C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][Ring1][C][#N][C][C][Branch1][C][C][Branch1][C][C][O] |
141,631,047 | CC(C)OC(=O)N(C)[C@H]1CCN(c2ccc3ncc(-c4cccnc4OC(F)F)n3n2)C1 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][C][C][N][Branch2][Ring1][#C][C][C][=C][C][=N][C][=C][Branch1][#C][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][Branch1][C][F][F][N][Ring1][#C][N][=Ring2][Ring1][Ring1][C][Ring2][Ring1][Branch2] |
145,781,028 | O=C(/C=C\C1CCCCC1)OC1CCC(C2CCCCC2)CC1 | [O][=C][Branch1][O][/C][=C][\C][C][C][C][C][C][Ring1][=Branch1][O][C][C][C][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N] |
58,055,137 | COC(=O)C1(C)CCc2ccc(Oc3ccc(Cl)cc3)cc2C1 | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][C][Ring2][Ring1][Ring1] |
138,603,760 | CN(C)[C@H]1CN(C(=O)C2CC=CC(c3n[nH]c4c3CCCC4)[C@@]2(C(=O)O)C(=O)c2c(Cl)cccc2C2(C(F)(F)F)CC2)C[C@@H]1O | [C][N][Branch1][C][C][C@H1][C][N][Branch2][Branch1][P][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][=C][C][=N][NH1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C@@][Ring1][#C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch1][C][C@@H1][Ring2][Ring2][=Branch2][O] |
107,811,618 | Nc1cc(N)cc(-c2nc(-c3cccc(F)c3)no2)c1 | [N][C][=C][C][Branch1][C][N][=C][C][Branch2][Ring1][Branch1][C][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][O][Ring1][N][=C][Ring2][Ring1][Ring1] |
139,249,685 | CC1(C)c2ccc([nH]2)C(C)(CCCO)c2ccc([nH]2)C(C)(C)c2ccc([nH]2)C(C)(CCCO)c2ccc1[nH]2 | [C][C][Branch1][C][C][C][=C][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][Branch1][C][C][Branch1][Branch1][C][C][C][O][C][=C][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][Branch1][C][C][Branch1][Branch1][C][C][C][O][C][=C][C][=C][Ring2][Ring2][Ring2][NH1][Ring1][Branch1] |
91,909,275 | CCOCCCNC(=O)N1CCC2(CC1)CC(N(C(=O)c1ccccc1)C1CC1)CCO2 | [C][C][O][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Branch2][Ring1][Branch1][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][C][O][Ring2][Ring1][Ring2] |