CID
int64 8
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|---|---|---|
134,195,396 | Cc1cccc2c1N(C(C)C)c1c(C)cccc1S2 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][S][Ring1][=C] |
66,213,595 | O=Cc1cn(Cc2ccco2)nn1 | [O][=C][C][=C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][N][=N][Ring1][O] |
156,501,036 | O=C1CCC(N2Cc3cc(OCC4CCCCN4Cc4cccnc4F)ccc3C2=O)C(=O)N1 | [O][=C][C][C][C][Branch2][Ring2][Branch2][N][C][C][=C][C][Branch2][Ring1][Branch1][O][C][C][C][C][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][N][=C][Ring1][=Branch1][F][=C][C][=C][Ring2][Ring1][=Branch1][C][Ring2][Ring1][=Branch2][=O][C][=Branch1][C][=O][N][Ring2][Ring1][P] |
18,478,314 | CCC(C)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CC(=O)O)NC(=O)C(N)CCC(N)=O)C(=O)O | [C][C][C][Branch1][C][C][C][Branch2][Branch1][Branch1][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][O] |
141,689,847 | [C-]#[N+]c1c(N2CCNC(C)CC2)nc(SC(C(N)=O)c2ccccc2)c(C#N)c1CC | [C-1][#N+1][C][=C][Branch1][=N][N][C][C][N][C][Branch1][C][C][C][C][Ring1][Branch2][N][=C][Branch2][Ring1][C][S][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][C][#N][=C][Ring2][Ring1][O][C][C] |
159,583,889 | CC1C(=O)N(c2cccc(C(F)(F)F)c2)CC2CCCCN21.NC1CCC([C@@H](NC(=O)[C@H]2CC[C@@H]3C(=O)N(CCCc4ccccc4)CC(=O)N23)C(=O)c2nc3ccccc3s2)CC1.O=C(O)CCNC(=O)c1cc2n(c1)CCN(CCC1CCNCC1)C2=O | [C][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][C][C][C][C][N][Ring1][=Branch1][Ring2][Ring1][Branch1].[N][C][C][C][C][Branch2][Branch1][N][C@@H1][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][C@H1][C][C][C@@H1][C][=Branch1][C][=O][N][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][Ring1][P][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][Ring2][Ring2][=Branch2].[O][=C][Branch1][C][O][C][C][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][C][N][Branch1][O][C][C][C][C][C][N][C][C][Ring1][=Branch1][C][Ring1][#C][=O] |
88,117,344 | CCC1=C(N(C=O)CCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2cccc(OC)c2)C(N(C=O)CCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CC)N1 | [C][C][C][=C][Branch2][Ring2][=Branch1][N][Branch1][Ring1][C][=O][C][C][C][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Branch2][Ring2][=Branch1][N][Branch1][Ring1][C][=O][C][C][C][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C][=C][Branch1][Ring1][C][C][N][Ring2][Branch1][S] |
81,923,490 | Cc1cccc(C)c1CC1(O)CCCc2occc21 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][Branch1][C][O][C][C][C][C][O][C][=C][C][=Ring1][Branch1][Ring1][#Branch2] |
43,447,104 | Cc1ccc(C(O)CCCCC(=O)O)c(C)c1 | [C][C][=C][C][=C][Branch1][=C][C][Branch1][C][O][C][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring1][S] |
145,759,537 | [C-]#[N+]CCN1Cc2ncc(-c3nc4c(cc3-c3cnn(CC5(C)CCCC5)c3)CCC4)cc2C1=O | [C-1][#N+1][C][C][N][C][C][=N][C][=C][Branch2][Ring2][=Branch1][C][=N][C][=C][Branch2][Ring1][=Branch2][C][=C][Ring1][=Branch1][C][C][=N][N][Branch1][N][C][C][Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][=Ring1][N][C][C][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][O][C][Ring2][Ring1][=C][=O] |
66,234,588 | CC(N)CCSCC(=O)Nc1ccc(F)cc1F | [C][C][Branch1][C][N][C][C][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] |
89,584,609 | O=Nc1c[nH]c(CN2CCC(CN3CCCCC3)CC2)cc1=O | [O][=N][C][=C][NH1][C][Branch2][Ring1][Branch1][C][N][C][C][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=N][=C][C][Ring2][Ring1][Ring2][=O] |
171,418,353 | C[C@H](CF)N1Cc2cnccc2C1=O | [C][C@H1][Branch1][Ring1][C][F][N][C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O] |
109,424,504 | CN=C(NCCNC(=O)OC(C)(C)C)N(C)Cc1csc(C)n1 | [C][N][=C][Branch2][Ring1][C][N][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1] |
112,508,301 | NCCC(O)CCOc1ccc2c(c1)CCC2 | [N][C][C][C][Branch1][C][O][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1] |
23,556 | O=C1COc2ccccc21 | [O][=C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
134,811,134 | COc1cncc(NC(=O)C2=NO[C@@H]3CN(Cc4ccccc4)C[C@H]23)c1 | [C][O][C][=C][N][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=N][O][C@@H1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][#C][Ring1][N][=C][Ring2][Ring1][Branch2] |
164,016,283 | CC(C)(C)[S@](=O)N[C@@H]1COCC12CCN(c1cnc(Sc3ccnc4c3C(F)(F)C(=O)N4)c(N)n1)CC2 | [C][C][Branch1][C][C][Branch1][C][C][S@][=Branch1][C][=O][N][C@@H1][C][O][C][C][Ring1][Branch1][C][C][N][Branch2][Ring2][#Branch1][C][=C][N][=C][Branch2][Ring1][Branch2][S][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][C][=Branch1][C][=O][N][Ring1][Branch2][C][Branch1][C][N][=N][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][#Branch2] |
170,857,823 | O=C(O)Cn1nc(C(=O)c2ccc(F)cc2)c2cc3c(cc21)OCO3 | [O][=C][Branch1][C][O][C][N][N][=C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][Ring2][Ring1][C][O][C][O][Ring1][#Branch1] |
61,866,990 | CNC(=O)CCNC(=O)c1cc(N)cn1C1CC1 | [C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][N][=C][N][Ring1][=Branch1][C][C][C][Ring1][Ring1] |
68,641,102 | O=c1cc2c(=O)c(=O)c3ncccc3c-2nc1=O | [O][=C][C][=C][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=N][C][Ring1][S][=O] |
111,376,003 | CN=C(NCCc1ccc(S(N)(=O)=O)cc1)NCc1cc(OC)c(OC)c(OC)c1.I | [C][N][=C][Branch2][Ring1][=Branch1][N][C][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][N][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N].[I] |
29,137,459 | Cc1cccc2sc(N(CCN3CCOCC3)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)nc12 | [C][C][=C][C][=C][C][S][C][Branch2][Ring2][Ring1][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=N][C][Ring2][Ring1][#C][=Ring2][Ring1][O] |
16,121,922 | Cc1[nH]c2nc(N(C)C)nc(Cl)c2c1CN1CCN(c2ccc(Cl)cc2)CC1 | [C][C][NH1][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch2][C][=Ring1][=N][C][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=N] |
84,711,814 | Brc1cn2c(C3CCNC3)cnc2cn1 | [Br][C][=C][N][C][Branch1][Branch2][C][C][C][N][C][Ring1][Branch1][=C][N][=C][Ring1][#Branch2][C][=N][Ring1][=C] |
8,283,205 | Cc1ccc(/C=C2\C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)c3ccccc32)o1 | [C][C][=C][C][=C][Branch2][Ring2][=Branch2][/C][=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][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1][O][Ring2][Ring1][N] |
104,769,385 | Cc1csc(C(O)Cc2cc(F)cc(Br)c2)n1 | [C][C][=C][S][C][Branch2][Ring1][Ring2][C][Branch1][C][O][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][Br][=C][Ring1][Branch2][=N][Ring1][S] |
65,365,124 | COCOc1cccc(O)c1C | [C][O][C][O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C] |
56,452,361 | Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 | [C][C][=C][C][=C][C][Branch1][#C][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][O][Ring1][Branch2][=C][Ring1][=C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
108,341,903 | CS(=O)(=O)CCSc1c(F)cccc1CO | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][S][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][O] |
94,182,712 | COc1ncccc1NC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 | [C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][=Branch1][C][=O][N][Branch1][=N][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] |
5,093,125 | COc1ccc(NC(=O)C[NH+]2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1Cl | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][C][NH1+1][C][C][N][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][N][Cl] |
73,951,086 | Cc1ccc2nc(/C(C#N)=C\c3cn(Cc4ccc(Cl)cc4Cl)nc3-c3ccccc3)[nH]c2c1 | [C][C][=C][C][=C][N][=C][Branch2][Ring2][Branch1][/C][Branch1][Ring1][C][#N][=C][\C][=C][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][=C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][Ring2][Ring1][=N][=C][Ring2][Ring1][P] |
155,680,120 | COc1cc(N2CCC(N3CCN(CC(=O)NCNc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 | [C][O][C][=C][C][Branch2][Branch1][=N][N][C][C][C][Branch2][Ring2][P][N][C][C][N][Branch2][Ring2][Branch1][C][C][=Branch1][C][=O][N][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][=N][=O][C][C][Ring2][Ring1][=C][C][C][Ring2][Ring2][Ring2][=C][C][=C][Ring2][Ring2][#Branch2][N][C][=N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][P][Branch1][C][C][Branch1][C][C][=O][=N][Ring2][Ring1][C] |
139,498,637 | O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc3ccccc3c3ccc4c(nc(-c5ccccc5)n4-c4ccccc4)c23)cc1 | [O][=P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring2][P][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring2][Ring1] |
158,746,508 | CNC1(C(=O)OCC(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](Cc2ccccc2)C(=O)O)C[C@H]1C(C)C | [C][N][C][Branch2][Ring2][=C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][Ring2][Ring1][=C][C][Branch1][C][C][C] |
14,254,519 | CCOC(=O)COc1cc(C(F)(F)F)c2c(=O)c(-c3ccccc3)coc2c1 | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][O][C][Ring1][=N][=C][Ring2][Ring1][Branch1] |
96,408,066 | CCCCNC(=O)N(C)[C@H]1CNC[C@@H]1O | [C][C][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][C][N][C][C@@H1][Ring1][Branch1][O] |
57,086,738 | CCCCCCCC(O)C(CCO)CCCCC | [C][C][C][C][C][C][C][C][Branch1][C][O][C][Branch1][Ring2][C][C][O][C][C][C][C][C] |
131,901,017 | Fc1ccc(OCc2nc(CCCn3cccn3)n[nH]2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][=N][C][Branch1][O][C][C][C][N][C][=C][C][=N][Ring1][Branch1][=N][NH1][Ring1][=N][C][=C][Ring2][Ring1][Branch1] |
82,564,285 | COC(=O)Cc1ccc(Nc2nc3nc4ccccc4n3[nH]2)cc1 | [C][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][NH1][Ring1][N][C][=C][Ring2][Ring1][Ring1] |
145,261,496 | C=N/C(=C1/c2ccccc2-c2ccccc2C1C)c1ccc2c(c1)c1ccccc1n2-c1ccccc1 | [C][=N][/C][=Branch2][Ring1][=Branch1][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][C][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][C][=C][Ring1][=Branch1] |
146,096,131 | Fc1ccccc1C1(CNCc2sccc2Cl)CCC1 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][N][C][N][C][C][S][C][=C][C][=Ring1][Branch1][Cl][C][C][C][Ring1][=N] |
3,737,552 | CCOc1ccccc1CNC(=O)c1ccc(C)nc1C1CCN(C(=O)c2nc3ccccc3[nH]c2=O)CC1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][Ring1][#Branch2][=O][C][C][Ring2][Ring1][Ring1] |
163,823,702 | Cc1c(CN(NC(=O)OC(C)(C)C)C(N)=O)sc2c1C(=O)C(CC[C@H]1C[C@@H]1C)C(=O)N2CC1CC1(F)F | [C][C][=C][Branch2][Ring1][Branch2][C][N][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][N][=O][S][C][=C][Ring2][Ring1][C][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][C@H1][C][C@@H1][Ring1][Ring1][C][C][=Branch1][C][=O][N][Ring1][=C][C][C][C][C][Ring1][Ring1][Branch1][C][F][F] |
20,020,667 | NC(N)=NCCCC(NC(=O)C(CC(=O)O)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(N)CO)C(=O)O | [N][C][Branch1][C][N][=N][C][C][C][C][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][C][N][C][O][C][=Branch1][C][=O][O] |
9,899,147 | Cc1cccc(C(=O)O)n1.[Zn+2] | [C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=N][Ring1][=Branch2].[Zn+2] |
105,095,562 | CCNC(c1ccc(OC)cc1)c1ccc(N(C)C)cc1 | [C][C][N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2] |
164,574,608 | C=C/C(=C\C=C(\C(=O)CC)C(C)C)C1C=c2c(CC)c(N)c(C)nc2=CC1.CCCCCN.Cc1ccc(C)c(C)c1 | [C][=C][/C][=Branch1][P][=C][\C][=C][Branch1][#Branch1][\C][=Branch1][C][=O][C][C][C][Branch1][C][C][C][C][C][=C][C][Branch1][Ring1][C][C][=C][Branch1][C][N][C][Branch1][C][C][=N][C][Ring1][#Branch2][=C][C][Ring1][=C].[C][C][C][C][C][N].[C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2] |
81,500,031 | COCC(C)Oc1c(N)cccc1Br | [C][O][C][C][Branch1][C][C][O][C][=C][Branch1][C][N][C][=C][C][=C][Ring1][#Branch1][Br] |
109,158,589 | COc1ccc(C)cc1Nc1ccc(C(=O)NCCc2ccccc2F)cn1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][Ring2][Ring1][C] |
64,416,674 | CCCNC1CCC(C)(C)CC1N(CCC)CCC | [C][C][C][N][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][N][Branch1][Ring2][C][C][C][C][C][C] |
22,989,939 | COC(=O)C1=Cc2cc(OC3CCOCC3)ccc2CCC1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][O][C][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=N][C][C][C][Ring2][Ring1][C] |
167,691,495 | CC(=O)N[C@H]1[C@H](OCCCCCCCCCCCCCCCC(=O)NC[C@H](O)CO)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O.COc1ccc(C(Cl)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@@H](O)CNC(=O)CCCCCCCCCCCCCCCO[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)(c2ccccc2)c2ccc(OC)cc2)cc1.S.S | [C][C][=Branch1][C][=O][N][C@H1][C@H1][Branch2][Ring1][=N][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][O][O][C@H1][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring2][Ring2][#Branch1][O][C][Branch1][C][C][=O].[C][O][C][=C][C][=C][Branch2][Ring1][O][C][Branch1][C][Cl][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=Branch1].[C][O][C][=C][C][=C][Branch2][#Branch1][#C][C][Branch2][=Branch1][Branch1][O][C][C@@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C@@H1][O][C@H1][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring2][Ring1][Ring1][N][C][Branch1][C][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][=Branch1][Ring2].[S].[S] |
137,337,662 | CCN1CCn2c(nnc2-c2ccn(C)n2)C1=O | [C][C][N][C][C][N][C][=Branch1][S][=N][N][=C][Ring1][Branch1][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1][C][Ring1][#C][=O] |
90,907,155 | CCCCCCCCCCC(C)(N)C(=O)OC | [C][C][C][C][C][C][C][C][C][C][C][Branch1][C][C][Branch1][C][N][C][=Branch1][C][=O][O][C] |
164,997,486 | C=CCOC(=O)C[C@H](C(=O)N[C@@H](C)C(=O)Cc1ccc(COC(=O)N2c3cc(OCCCOc4cc5c(cc4OC)C(=O)N4C=C(c6ccc(C)cc6)C[C@H]4C(C)N5C(=O)OCC=C)c(OC)cc3C(=O)N3CC4(CC4)C[C@H]3C2O)cc1)C(C)C.C=CCOC(=O)C[C@H](C(=O)N[C@@H](C)C(=O)Cc1ccc(COC(=O)N2c3cc(OCCCOc4cc5c(cc4OC)C(=O)N4C=C(c6ccc(C)cc6)C[C@H]4C(O)N5C(=O)OCC=C)c(OC)cc3C(=O)N3CC4(CC4)C[C@H]3C2O)cc1)C(C)C.COc1cc2c(cc1OCCCOc1cc3c(cc1OC)C(=O)N1CC4(CC4)C[C@H]1C(O)N3C(=O)OCc1ccc(CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)CNC(=O)CCC(=O)CCC(=O)N3Cc4ccccc4C#Cc4ccccc43)C(C)C)cc1)N=C[C@@H]1CC(c3ccc(C)cc3)=CN1C2=O.COc1cc2c(cc1OCCCOc1cc3c(cc1OC)C(=O)N1CC4(CC4)C[C@H]1C(O)N3C(=O)OCc1ccc(CC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)cc1)N=C[C@@H]1CC(c3ccc(C)cc3)=CN1C2=O | [C][=C][C][O][C][=Branch1][C][=O][C][C@H1][Branch2][=Branch2][P][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Branch2][#Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][Branch2][Branch1][#Branch2][O][C][C][C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C@H1][Ring1][N][C][Branch1][C][C][N][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring2][N][C][=Branch1][C][=O][N][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][C@H1][Ring1][#Branch1][C][Ring2][Branch1][#Branch1][O][C][=C][Ring2][=Branch1][C][C][Branch1][C][C][C].[C][=C][C][O][C][=Branch1][C][=O][C][C@H1][Branch2][=Branch2][P][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Branch2][#Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][Branch2][Branch1][#Branch2][O][C][C][C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C@H1][Ring1][N][C][Branch1][C][O][N][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring2][N][C][=Branch1][C][=O][N][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][C@H1][Ring1][#Branch1][C][Ring2][Branch1][#Branch1][O][C][=C][Ring2][=Branch1][C][C][Branch1][C][C][C].[C][O][C][=C][C][=C][Branch2][#Branch2][Branch1][C][=C][Ring1][=Branch1][O][C][C][C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][C@H1][Ring1][#Branch1][C][Branch1][C][O][N][Ring2][Ring1][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch2][=Branch1][Branch1][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][=C][C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S][C][Branch1][C][C][C][C][=C][Ring2][Ring2][P][N][=C][C@@H1][C][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][N][Ring1][N][C][Ring2][#Branch1][P][=O].[C][O][C][=C][C][=C][Branch2][#Branch1][Branch2][C][=C][Ring1][=Branch1][O][C][C][C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][C@H1][Ring1][#Branch1][C][Branch1][C][O][N][Ring2][Ring1][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1][N][=C][C@@H1][C][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][N][Ring1][N][C][Ring2][=Branch1][Ring1][=O] |
64,482,272 | Cc1csc(C(C)NCC(=O)NC2CCCCC2)n1 | [C][C][=C][S][C][Branch2][Ring1][Ring2][C][Branch1][C][C][N][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][C] |
164,328,383 | CC/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\CCCCCCCCC(=O)NC(CO)C(O)/C=C/CC/C=C/CCCCCCCCCCCCCCCCCCCCCCC | [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][Branch1][Ring1][C][O][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][C][C] |
107,064,194 | CCC(C)(C)C(Cc1cn(C)nn1)NC | [C][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][N][C][C][=C][N][Branch1][C][C][N][=N][Ring1][=Branch1][N][C] |
100,350,955 | CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(SC)cc1 | [C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][N][Branch1][=C][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2] |
66,704,212 | COC(=O)c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][P] |
57,999,554 | Cc1cncn1-c1ccc(-c2[nH]ncc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C)C2)cc1 | [C][C][=C][N][=C][N][Ring1][Branch1][C][=C][C][=C][Branch2][Ring2][=Branch2][C][NH1][N][=C][C][=Ring1][Branch1][C][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C@H1][Branch1][C][C][C][Ring1][P][C][=C][Ring2][Ring1][=N] |
23,003,966 | CCCCC(CC(=O)[O-])c1ccc2c(c1)CCN2C(C)=O | [C][C][C][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][C][Branch1][C][C][=O] |
29,554,419 | COc1ccc(S(=O)(=O)Nc2c(C)cccc2C)c(N)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][Branch1][C][N][=C][Ring2][Ring1][Ring1] |
115,189,714 | CN(C(=O)C1(N)CC1)c1ccc[nH]1 | [C][N][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][Ring1][Ring2][C][=C][C][=C][NH1][Ring1][Branch1] |
166,304,249 | O=C(O)[C@@H]1C[C@H]2CC[C@@H]1N(C(=O)c1cc[nH]c1)C2 | [O][=C][Branch1][C][O][C@@H1][C][C@H1][C][C][C@@H1][Ring1][=Branch1][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][NH1][C][=Ring1][Branch1][C][Ring1][=N] |
100,290,112 | COc1ccc(C)cc1N(CC(=O)NCCOc1ccccc1C)S(C)(=O)=O | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][Branch1][C][C][=Branch1][C][=O][=O] |
76,475,680 | CCCCCCCCCCCCCCCC(=O)N(CCC(=O)O)C(C)C(=O)O | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=Branch1][C][=O][O] |
19,122,357 | Cc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)C3c2cccs2)cc1C | [C][C][=C][C][=C][Branch2][Ring2][=Branch1][O][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][Ring1][#Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][=N][C] |
135,957,399 | COc1cc(Cl)c(Cl)c(/C=N/NC(=O)c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)c1O | [C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch2][Ring2][Branch2][/C][=N][/N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][=C][Ring2][Ring1][C][=C][Ring2][Ring1][#C][O] |
101,217,945 | C[Si](C)(C)CCO[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 | [C][Si][Branch1][C][C][Branch1][C][C][C][C][O][C@H1][O][C@H1][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring2][Ring1][#C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
159,511,934 | CC1CCCC(C(=O)N(C)C)C1.CN(C)C(=O)C1CCCC(N(C)C)C1 | [C][C][C][C][C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring1][O].[C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][Ring1][=Branch2] |
66,234,780 | CCCN(Cc1ccccc1)c1ccc(Cl)cn1 | [C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1] |
23,477,626 | CCc1ccc(Oc2ncnc(Cl)c2N)cc1 | [C][C][C][=C][C][=C][Branch1][=C][O][C][=N][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=C][Ring1][#C] |
22,680,920 | COc1ccc(C=CC(=O)O)c(OCc2ccc([N+](=O)[O-])cc2)c1 | [C][O][C][=C][C][=C][Branch1][Branch2][C][=C][C][=Branch1][C][=O][O][C][Branch2][Ring1][C][O][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][=Branch1] |
166,607,838 | CC(C)CCCCOP(=O)(Cl)Cl | [C][C][Branch1][C][C][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][Cl][Cl] |
63,486,865 | CC1Cc2ccccc2N(Cc2nnsc2N)C1 | [C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][N][=N][S][C][=Ring1][Branch1][N][C][Ring1][P] |
136,160,918 | O=S(=O)(Nc1ccncc1)c1cc(-c2[nH]ncc2Oc2ccccc2Cl)c(O)cc1O | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][Branch2][Ring1][C][C][NH1][N][=C][C][=Ring1][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Branch1][C][O][C][=C][Ring2][Ring1][Ring2][O] |
111,274,557 | CCNC(=NCCc1ccc(OCC(N)=O)cc1)N(C)Cc1ccc(OCC)cc1 | [C][C][N][C][=Branch2][Ring1][Branch1][=N][C][C][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][C][=C][Ring1][O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2] |
46,522,255 | COc1ccc(CCC(=O)NCCCN2CCCC2=O)cc1F | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][C][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring2][Ring1][Ring2][F] |
22,741,612 | CS([O-])=S | [C][S][Branch1][C][O-1][=S] |
80,011,461 | CC(C)(C)S(=O)(=O)NCC1CCC(C(=O)O)O1 | [C][C][Branch1][C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][Ring1][Branch2] |
153,421,594 | Cc1cccc(Oc2[c-]c(-c3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2)n1.[Pt+2] | [C][C][=C][C][=C][C][Branch2][Ring2][O][O][C][=C-1][C][Branch2][Ring1][=C][C][=C-1][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][=Branch2][=N][Ring2][Ring1][S].[Pt+2] |
139,873,412 | CCCOc1ccc(CCc2ccc3c(F)c(CCc4ccc(OC(F)(F)F)cc4)ccc3c2)nc1 | [C][C][C][O][C][=C][C][=C][Branch2][Ring2][=C][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Branch2][Ring1][=Branch1][C][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=C][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2][N][=C][Ring2][Ring1][S] |
80,626,362 | CCCNC(Cc1c(Cl)c(C)nn1CC)C1CCCCS1 | [C][C][C][N][C][Branch1][P][C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=N][N][Ring1][#Branch1][C][C][C][C][C][C][C][S][Ring1][=Branch1] |
113,390,469 | CNc1cc(C2CCCC2)nc(CSC(C)C)n1 | [C][N][C][=C][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][=N][C][Branch1][Branch2][C][S][C][Branch1][C][C][C][=N][Ring1][S] |
772,085 | COc1cccc(CN2CCN(Cc3ccco3)CC2)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][N][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][N][=C][Ring2][Ring1][Ring1][O][C] |
24,087,620 | CCOC(=O)[C@H]1[C@H]2C(=O)N([C@@H](CO)Cc3ccccc3)[C@H](C(=O)NC(C)(C)C)[C@H]2C=C[C@H]1CC | [C][C][O][C][=Branch1][C][=O][C@H1][C@H1][C][=Branch1][C][=O][N][Branch1][#C][C@@H1][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring2][Ring1][#Branch1][C][=C][C@H1][Ring2][Ring1][O][C][C] |
132,183,414 | CCOC(=O)C(=N)C1CC2(CCC1N)CC2 | [C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=N][C][C][C][Branch1][#Branch1][C][C][C][Ring1][=Branch1][N][C][C][Ring1][#Branch1] |
66,460,026 | Cc1ccc(CC(Cl)c2cc(C)c(C)s2)nc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][Branch1][C][Cl][C][=C][C][Branch1][C][C][=C][Branch1][C][C][S][Ring1][#Branch1][N][=C][Ring1][S] |
54,427,955 | O=C(CCSC1CC2(SCCC(=O)Nc3ccc(Nc4ccccc4)cc3)CC1C1CCCC12)Nc1ccc(Nc2ccccc2)cc1 | [O][=C][Branch2][Branch1][Ring2][C][C][S][C][C][C][Branch2][Ring1][N][S][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][C][Ring2][Ring1][Branch2][C][C][C][C][C][Ring1][Branch1][Ring2][Ring1][O][N][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N] |
166,867,757 | OCCCCCCCCCCCCCCN=NCSC1CCCCCCCCCC1 | [O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][=N][C][S][C][C][C][C][C][C][C][C][C][C][C][Ring1][O] |
158,495,604 | COCCCC(=O)c1cc2cn(CC3CCCCC3)nc2cc1C.Cl | [C][O][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][N][=C][Ring1][N][C][=C][Ring1][S][C].[Cl] |
154,335,567 | CCc1c(O)c(C(C)C)cc(C=S)c1N1CCN(c2c(C=S)cc(C(C)C)c(O)c2CC)CC1 | [C][C][C][=C][Branch1][C][O][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][Branch1][Ring1][C][=S][=C][Ring1][N][N][C][C][N][Branch2][Ring1][=Branch2][C][=C][Branch1][Ring1][C][=S][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][O][=C][Ring1][N][C][C][C][C][Ring2][Ring1][Ring2] |
19,133,661 | O=C(Nc1ccc([N+](=O)[O-])cc1Br)C1CC=CCC1C(=O)N1CCCCC1 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][Br][C][C][C][=C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] |
158,448,797 | C.C.CC1(C)C2CC(O)C(C)(O)C1C2.CN(C)c1ccc(-c2cn3cccc(B(O)O)c3n2)cc1.CN(C)c1ccc(-c2cn3cccc(B4OC5CC6CC(C5O4)C6(C)C)c3n2)cc1 | [C].[C].[C][C][Branch1][C][C][C][C][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][O][C][Ring1][#Branch2][C][Ring1][=Branch2].[C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][N][C][=C][C][=C][Branch1][=Branch1][B][Branch1][C][O][O][C][Ring1][=Branch2][=N][Ring1][N][C][=C][Ring2][Ring1][C].[C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=C][N][C][=C][C][=C][Branch2][Ring1][#Branch1][B][O][C][C][C][C][C][Branch1][#Branch1][C][Ring1][=Branch1][O][Ring1][=Branch2][C][Ring1][=Branch1][Branch1][C][C][C][C][Ring2][Ring1][C][=N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O] |
31,483,216 | O=C([C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 | [O][=C][Branch2][Ring1][=N][C@H1][C][C][=Branch1][C][=O][N][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][Ring1][S][N][C][C][N][Branch1][=C][C@@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][C][C][Ring1][=N] |
165,585,463 | CC[C@@H](CC(=O)O)NC(=O)c1nonc1NC(=O)OCC1c2ccccc2-c2ccccc21 | [C][C][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][=N][O][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] |
62,245,513 | CCCCN(CCO)Cc1nnsc1NN | [C][C][C][C][N][Branch1][Ring2][C][C][O][C][C][N][=N][S][C][=Ring1][Branch1][N][N] |