CID
int64 8
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large_stringlengths 1
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|---|---|---|
60,131,593 | Cc1oc(=O)oc1COC(=O)[C@H]1C2CC[C@@](N)(C(=O)OCc3oc(=O)oc3C)C21 | [C][C][O][C][=Branch1][C][=O][O][C][=Ring1][=Branch1][C][O][C][=Branch1][C][=O][C@H1][C][C][C][C@@][Branch1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][O][C][=Branch1][C][=O][O][C][=Ring1][=Branch1][C][C][Ring1][P][Ring2][Ring1][C] |
16,882,358 | O=C(CCn1cnc2c(cnn2-c2ccccc2)c1=O)NCC1CCCO1 | [O][=C][Branch2][Ring1][O][C][C][N][C][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O][N][C][C][C][C][C][O][Ring1][Branch1] |
5,016,036 | CCOc1ccc(C(=O)Oc2ccc(C=NNC(N)=O)cc2OC)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch2][C][=N][N][C][Branch1][C][N][=O][C][=C][Ring1][N][O][C][C][=C][Ring2][Ring1][#Branch1] |
56,217,038 | O=C(NC1CCN(CC(F)F)CC1)C1CCCN1S(=O)(=O)c1ccccc1 | [O][=C][Branch2][Ring1][C][N][C][C][C][N][Branch1][#Branch1][C][C][Branch1][C][F][F][C][C][Ring1][#Branch2][C][C][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
132,051,186 | CC(C)(C)S(=O)/N=C1\CCn2c1nc1ccc(Cl)cc12 | [C][C][Branch1][C][C][Branch1][C][C][S][=Branch1][C][=O][/N][=C][\C][C][N][C][Ring1][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][#Branch2] |
172,312,005 | NC1CNCCN1c1cccc2c1OCC(O)O2 | [N][C][C][N][C][C][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][O][Ring1][#Branch1] |
117,339,006 | COc1c(C)ccc(C2(CN)CC2)c1C(C)C | [C][O][C][=C][Branch1][C][C][C][=C][C][Branch1][#Branch2][C][Branch1][Ring1][C][N][C][C][Ring1][Branch1][=C][Ring1][N][C][Branch1][C][C][C] |
16,044,493 | Cc1cc(Br)ccc1S(=O)(=O)N1CCN(C)CC1 | [C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1] |
168,412,897 | [2H]c1c([2H])c(-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc2-c2ccc3ccc4cccc5ccc2c3c45)c([2H])c(-c2c([2H])c([2H])c3oc4c([2H])c([2H])c([2H])c([2H])c4c3c2[2H])c1[2H].[2H]c1c([2H])c(-c2cccc(-c3ccc4oc5ccccc5c4c3)c2)c(-c2ccc3ccc4cccc5ccc2c3c45)c([2H])c1-c1ccc2ccc3cccc4ccc1c2c34 | [2H][C][=C][Branch1][C][2H][C][Branch2][Branch1][=N][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=C][C][Ring1][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=C][C][Ring1][N][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Branch1][C][2H][C][Branch2][Ring2][Branch2][C][=C][Branch1][C][2H][C][Branch1][C][2H][=C][O][C][=C][Branch1][C][2H][C][Branch1][C][2H][=C][Branch1][C][2H][C][Branch1][C][2H][=C][Ring1][#Branch2][C][Ring1][=N][=C][Ring2][Ring1][Ring1][2H][=C][Ring2][=Branch1][C][2H].[2H][C][=C][Branch1][C][2H][C][Branch2][Ring1][S][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=C][Ring1][=N][=C][Ring2][Ring1][Ring1][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=C][C][Ring1][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][Branch1][C][2H][=C][Ring2][Ring2][O][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=C][C][Ring1][N][=C][Ring1][#Branch2][Ring1][=Branch1] |
124,587,416 | CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3O)c(=O)n2[C@H]1c1ccc(OC)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][S][/C][=Branch1][P][=C][\C][=C][C][Branch1][C][I][=C][C][Branch1][C][I][=C][Ring1][Branch2][O][C][=Branch1][C][=O][N][Ring1][S][C@H1][Ring2][Ring1][Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] |
97,343,232 | CCNC(=O)Nc1cn[nH]c1[C@H]1CCCN(C(=O)c2ccc(C)c(Cl)c2)C1 | [C][C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][C@H1][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][S] |
144,382,031 | CC.CCCC(C(=O)O)/C(C(C)=NC)=C(\Nc1ccccc1)N(C)c1ccccc1N | [C][C].[C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][/C][Branch1][#Branch1][C][Branch1][C][C][=N][C][=C][Branch1][#Branch2][\N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N] |
54,139,932 | CCCCCCCC(O)C=CC1CCC(O)C1CC=CCCC(=O)O | [C][C][C][C][C][C][C][C][Branch1][C][O][C][=C][C][C][C][C][Branch1][C][O][C][Ring1][=Branch1][C][C][=C][C][C][C][=Branch1][C][=O][O] |
113,712,226 | Cc1cc(C(N)c2cc(Cl)c(Br)cc2F)sc1C | [C][C][C][=C][Branch2][Ring1][Ring2][C][Branch1][C][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Br][C][=C][Ring1][Branch2][F][S][C][=Ring1][S][C] |
68,609,865 | CCCN(CCC)S(=O)(=O)CCC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cnc(CC)s1 | [C][C][C][N][Branch1][Ring2][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][S][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C@H1][Branch1][C][O][C][N][C][C][=C][N][=C][Branch1][Ring1][C][C][S][Ring1][#Branch1] |
121,693,853 | CC(=O)NC(CC(=O)NC1(C(=O)O)CCCC1)c1cccs1 | [C][C][=Branch1][C][=O][N][C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][Ring1][Branch2][C][=C][C][=C][S][Ring1][Branch1] |
4,129,427 | CN(Cc1cccc2c1OCO2)C(=O)c1n[nH]c2ccccc12 | [C][N][Branch1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][Ring1][Branch1][C][=Branch1][C][=O][C][=N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
71,764,365 | OCC[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 | [O][C][C][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring1][=N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
143,060,271 | C/C=C(\C/C(C)=C\CCn1cc(C2CCNCC2)c2ccccc21)OC | [C][/C][=C][Branch2][Ring1][S][\C][/C][Branch1][C][C][=C][\C][C][N][C][=C][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][O][C] |
89,087,663 | [B]c1cnc(SC(F)(F)C(N)=O)n1-c1ccc(C#N)c2ccccc12 | [BH0][C][=C][N][=C][Branch1][=C][S][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][N][=O][N][Ring1][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1] |
65,877,958 | CCc1nn(C)c(CNC(C)Cn2ccnc2)c1Cl | [C][C][C][=N][N][Branch1][C][C][C][Branch1][#C][C][N][C][Branch1][C][C][C][N][C][=C][N][=C][Ring1][Branch1][=C][Ring1][S][Cl] |
150,235,625 | [N-]=[N+]=Nc1cccc(-c2ccc(O)cc2)c1 | [N-1][=N+1][=N][C][=C][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][Ring1][=N] |
111,745,095 | CN=C(NCc1ccnc(-n2ccnc2)c1)N1CCC2(CCCCC2)C1.I | [C][N][=C][Branch2][Ring1][Ring2][N][C][C][=C][C][=N][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=C][Ring1][O][N][C][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][Ring1][#Branch2].[I] |
79,383,157 | CC1NCCC1C(=O)Nc1ccc(C#N)cc1 | [C][C][N][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2] |
100,363,614 | CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 | [C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][N][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] |
155,754,429 | CC(C)(C)OC(=O)N1CCC(O)(Cn2cc(Br)c(N=S(C)(C)=O)cc2=O)C2(CCCC2)C1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch2][Ring1][=Branch2][C][N][C][=C][Branch1][C][Br][C][Branch1][#Branch2][N][=S][Branch1][C][C][Branch1][C][C][=O][=C][C][Ring1][N][=O][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][Ring2][Ring1][=Branch2] |
114,126,775 | Cc1cnc(CNC(=O)c2cc(N)c(C)s2)s1 | [C][C][=C][N][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][N][=C][Branch1][C][C][S][Ring1][#Branch1][S][Ring1][S] |
162,507,860 | CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4cc(C(C)(C)c5ccccc5)ccc4N(c4ccc(C(C)(C)c5ccccc5)cc4)c4cc(Cl)cc2c43)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][#Branch1][N][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][B][C][=C][C][Branch1][S][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][N][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][S][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][C][=C][C][Branch1][C][Cl][=C][C][Ring2][Ring2][P][=C][Ring1][#Branch1][Ring2][Ring2][#Branch1][C][=C][Ring2][Branch1][Branch2] |
165,662,084 | CC(N)CCc1cc([N+](=O)[O-])ccc1O | [C][C][Branch1][C][N][C][C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][O] |
56,426,828 | CNC(=O)COc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1OC | [C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][C][C][=C][Ring2][Ring1][#Branch2][O][C] |
2,310,261 | NC1=N[C@@H](c2c(Cl)cccc2Cl)[n+]2c([nH]c3ccccc32)N1 | [N][C][=N][C@@H1][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][N+1][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][Ring2][Ring1][Branch1] |
90,830,664 | CC.CC.CC1CCN(Cc2ccc(-c3nc4cc5ccccc5cc4nc3-c3ccccc3)cc2)CC1 | [C][C].[C][C].[C][C][C][C][N][Branch2][Ring2][#Branch2][C][C][=C][C][=C][Branch2][Ring1][=N][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][N][=C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2][C][C][Ring2][Ring1][P] |
66,653,638 | COC(=O)[C@@H](N)Cc1cccc(O)c1.Cl | [C][O][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1].[Cl] |
45,916,816 | COc1cc(Br)c(CC(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)cc1OC | [C][O][C][=C][C][Branch1][C][Br][=C][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch1][C][C][S][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch2][O][C] |
80,392,602 | CC(C)C(C)OCCC(=O)N1CCNCC1 | [C][C][Branch1][C][C][C][Branch1][C][C][O][C][C][C][=Branch1][C][=O][N][C][C][N][C][C][Ring1][=Branch1] |
77,609,759 | CCCCS(=O)CCCCCCCCCCC(C)(O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 | [C][C][C][C][S][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N] |
156,881,848 | COc1cc(C(=O)NC2CCCOc3cc(cc(OC)c3OC)C(=O)OCCCN3CCN(CC2)CC(F)(F)C3)cc(OC)c1C | [C][O][C][=C][C][Branch2][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][O][C][=C][C][=Branch1][N][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][=Branch1][C][=O][O][C][C][C][N][C][C][N][Branch1][=Branch1][C][C][Ring2][Ring1][O][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][O][C] |
133,416,090 | Cn1c(Sc2cc(Cl)nc(C3CC3)n2)nc2sccc2c1=O | [C][N][C][Branch2][Ring1][Ring2][S][C][=C][C][Branch1][C][Cl][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][#Branch2][=N][C][S][C][=C][C][=Ring1][Branch1][C][Ring2][Ring1][Ring2][=O] |
8,821,412 | C[C@@H](OC(=O)COc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc(F)cc1 | [C][C@@H1][Branch2][Ring1][=Branch1][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
116,381,077 | Cc1coc(NS(=O)(=O)c2ccc(C#CCN)c(C)c2)n1 | [C][C][=C][O][C][Branch2][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][#C][C][N][C][Branch1][C][C][=C][Ring1][O][=N][Ring2][Ring1][Ring2] |
1,861,762 | O=C([O-])c1cc2cc3c(cc2nc1Cl)OCO3 | [O][=C][Branch1][C][O-1][C][=C][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Cl][O][C][O][Ring1][#Branch2] |
139,944,329 | O=C(Nc1ccc2c(c1)CNC2C(=O)Cc1ccccc1NCc1ccccn1)c1ccccc1-c1ccc(C(F)(F)F)cc1 | [O][=C][Branch2][Ring2][Branch2][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] |
3,878,685 | CSCC(C(=O)OCC(=O)Nc1ccc(C)cc1C)N1C(=O)C2CCCCC2C1=O | [C][S][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][#Branch2][=O] |
9,302,397 | C[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1 | [C][C@H1][Branch2][Ring1][P][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1] |
5,027,729 | CN(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)cc1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][Branch1][=C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][Ring1][#C][=O][C][=C][Ring2][Ring1][#Branch2] |
103,814,886 | CCc1cnc(CNC(=O)c2cccc(N)c2)s1 | [C][C][C][=C][N][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][S][Ring1][S] |
20,725,209 | CC(C)(C)c1ccc(C(F)(F)F)cc1Cl | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl] |
170,898,826 | CCOC(=O)[C@H]1C[C@H]2CC[C@@H]1CNC2.Cl | [C][C][O][C][=Branch1][C][=O][C@H1][C][C@H1][C][C][C@@H1][Ring1][=Branch1][C][N][C][Ring1][#Branch1].[Cl] |
67,519,242 | O=C(O)OC(Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)NCC3)C1CCC2CCCCC2C1 | [O][=C][Branch1][C][O][O][C][Branch2][Ring1][#C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C@@][C][C][C][C][C@H1][Ring1][=Branch1][C@@H1][Branch1][Ring2][C][Ring1][O][N][C][C][Ring1][O][C][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][#Branch2] |
66,802,968 | Cc1ccc2c(c1)C(CO)CC1C2CC[C@@]2(C)C1CC[C@@H]2OC1CCCCO1 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][Ring1][C][O][C][C][C][Ring1][=Branch2][C][C][C@@][Branch1][C][C][C][Ring1][#Branch1][C][C][C@@H1][Ring1][=Branch1][O][C][C][C][C][C][O][Ring1][=Branch1] |
154,025,868 | CC(C)(O/N=C(/C(=O)N[C@H]1CCC(CC(=O)O)OB1O)c1csc(N)n1)C(=O)O | [C][C][Branch1][C][C][Branch2][Ring2][#Branch1][O][/N][=C][Branch2][Ring1][#Branch1][/C][=Branch1][C][=O][N][C@H1][C][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][O][B][Ring1][#Branch2][O][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1][C][=Branch1][C][=O][O] |
142,458,259 | CC.CCC(n1cc(C2=NN(c3cnc(OC)c(F)c3)C3CCOCCC23)cn1)C1(C)CCC(=O)N(C)C1 | [C][C].[C][C][C][Branch2][Ring2][N][N][C][=C][Branch2][Ring1][P][C][=N][N][Branch1][S][C][=C][N][=C][Branch1][Ring1][O][C][C][Branch1][C][F][=C][Ring1][=Branch2][C][C][C][O][C][C][C][Ring2][Ring1][Ring1][Ring1][#Branch1][C][=N][Ring2][Ring1][Branch2][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][=Branch2] |
62,367,160 | CC(C)(C(=O)NC1CCCCC1O)c1ccccc1 | [C][C][Branch1][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
119,596,395 | CC(N)C1CCCN(C(=O)c2ccccn2)C1.Cl.Cl | [C][C][Branch1][C][N][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][=C].[Cl].[Cl] |
63,815,536 | Cc1cnn(-c2nc3ccccn3c2CC(C)N)c1 | [C][C][C][=N][N][Branch2][Ring1][Ring2][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][Branch1][C][C][N][C][=Ring2][Ring1][C] |
64,596,674 | COCC1CCN(C(=O)c2cccc(S(=O)(=O)Cl)c2)C1 | [C][O][C][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][=C][Ring1][#Branch2][C][Ring1][P] |
57,979,391 | CC(C)[C@H]1C(=O)N2C(C(=O)OC(=O)c3ccc([N+](=O)[O-])cc3)=C(COc3cccc4c(CNS(N)(=O)=O)cccc34)[C@H](C)[C@H]12 | [C][C][Branch1][C][C][C@H1][C][=Branch1][C][=O][N][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=C][Branch2][Ring1][=N][C][O][C][=C][C][=C][C][=C][Branch1][O][C][N][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][C][=C][Ring1][S][Ring1][N][C@H1][Branch1][C][C][C@H1][Ring2][Ring2][=Branch2][Ring2][Ring2][=Branch1] |
172,168,102 | [2H]c1c([2H])c([2H])c2c(c1[2H])c1ccc(Oc3cccc(N4Cn5c6c(-c7ccccc7)cccc6c6ccccc6c6ccccc6c6cccc4c65)c3)cc1n2-c1cc(C(C)(C)C)ccn1 | [2H][C][=C][Branch1][C][2H][C][Branch1][C][2H][=C][C][=Branch1][Branch1][=C][Ring1][Branch2][2H][C][=C][C][=C][Branch2][Branch1][P][O][C][=C][C][=C][C][Branch2][Branch1][Ring2][N][C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Ring2][Ring1][S][=C][Ring1][=Branch1][Ring2][Ring1][#C][=C][Ring2][Ring2][#Branch1][C][=C][Ring2][Ring2][=C][N][Ring2][Branch1][Ring1][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=N][Ring1][#Branch2] |
87,118,396 | C=COC(C=C)=CF | [C][=C][O][C][Branch1][Ring1][C][=C][=C][F] |
89,507,422 | C[C@@H](c1cc2ccccc2nc1C=O)N1C(=O)c2ccccc2C1=O | [C][C@@H1][Branch1][P][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] |
161,588,170 | CC(C)[C@@H](NC(=O)C(CCC(=O)O)CC(=O)C(CC(=O)O)NC(=O)CCNC(=O)Cc1cc(=O)oc2cc(O)ccc12)C(=O)CC(CC(=O)O)C(=O)C(F)(F)F.CC(C)[C@H](CC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)CC(=O)CCC(=O)NCCCc1cccc2ccccc12)C(=O)N[C@H](C=O)CC(=O)O.CN(C)c1ccc2c(CC(=O)NCCCC(=O)CCCCC3SCC4NC(=O)NC43)cc(=O)oc2c1.COC(=O)CCC(CC(=O)C(CC(=O)OC)NC(=O)CCNC(=O)Cc1cc(=O)oc2cc(O)ccc12)C(=O)N[C@@H](C(=O)CC(CC(=O)OC)C(=O)C(F)(F)F)C(C)C.Nc1ncnc2c1nc(Sc1ccc3c(c1Br)OCO3)n2CCC(=O)NCCNc1cccc2ccccc12.O=C(CCCCC1SCC2NC(=O)NC21)CCCNC(=O)/C=C/Cc1cc(=O)oc2cc(O)ccc12.O=C(CCCCC1SCC2NC(=O)NC21)CCCNC(=O)Cc1cc(=O)oc2cc(O)ccc12 | [C][C][Branch1][C][C][C@@H1][Branch2][Branch1][#C][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][N][Ring1][#Branch1][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F].[C][C][Branch1][C][C][C@H1][Branch2][Branch1][O][C][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][=O][C][C][=Branch1][C][=O][O].[C][N][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][P][C][C][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][C][C][C][C][C][S][C][C][N][C][=Branch1][C][=O][N][C][Ring1][=Branch1][Ring1][=Branch2][=C][C][=Branch1][C][=O][O][C][Ring2][Ring1][=N][=C][Ring2][Ring1][P].[C][O][C][=Branch1][C][=O][C][C][C][Branch2][Ring2][P][C][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][N][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][C][C].[N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][Branch2][Ring1][C][S][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][Br][O][C][O][Ring1][#Branch1][N][Ring1][S][C][C][C][=Branch1][C][=O][N][C][C][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1].[O][=C][Branch2][Ring1][Ring2][C][C][C][C][C][S][C][C][N][C][=Branch1][C][=O][N][C][Ring1][=Branch1][Ring1][=Branch2][C][C][C][N][C][=Branch1][C][=O][/C][=C][/C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][N][Ring1][#Branch1].[O][=C][Branch2][Ring1][Ring2][C][C][C][C][C][S][C][C][N][C][=Branch1][C][=O][N][C][Ring1][=Branch1][Ring1][=Branch2][C][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][N][Ring1][#Branch1] |
107,675,394 | CCCOCCOc1ccc(C(=O)O)c(F)c1 | [C][C][C][O][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][F][=C][Ring1][#Branch2] |
46,667,514 | CC(OC(=O)/C=C/c1ccc(C(F)(F)F)cc1)C(=O)NC(=O)Nc1ccccc1 | [C][C][Branch2][Ring1][#Branch2][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
113,452,613 | COc1cc(-c2nnc(N)n2N)ccc1[N+](=O)[O-] | [C][O][C][=C][C][Branch1][N][C][=N][N][=C][Branch1][C][N][N][Ring1][=Branch1][N][=C][C][=C][Ring1][=N][N+1][=Branch1][C][=O][O-1] |
135,856,017 | CN1CN([C@H]2C[C@H](OP(=O)([O-])[O-])[C@@H](CO)O2)c2nc(N)[nH]c(=O)c21 | [C][N][C][N][Branch2][Ring1][#Branch1][C@H1][C][C@H1][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O-1][O-1][C@@H1][Branch1][Ring1][C][O][O][Ring1][N][C][N][=C][Branch1][C][N][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2][Ring2][Ring1][#Branch1] |
23,859,441 | COc1ccc(OC)c(N2C(=O)CC(c3c(F)cccc3Cl)C3=C2CCCC3=O)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][#C][C][C][C][C][Ring1][=Branch1][=O][=C][Ring2][Ring1][N] |
24,169,308 | O=C1OCCCC/C=C\[C@H]2S[C@]34C=CCN(c5ccc6ccccc6c5)C(=O)C3N([C@@H](CO)Cc3ccccc3)C(=O)[C@@H]4[C@@H]12 | [O][=C][O][C][C][C][C][/C][=C][\C@H1][S][C@][C][=C][C][N][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][Ring2][Ring1][C][N][Branch1][#C][C@@H1][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][S][C@@H1][Ring2][Ring2][O][Ring2][Ring2][Ring1] |
129,262,411 | NCc1c(-c2ccccc2)c(=O)n2cc(F)ccc2c1C1CC1 | [N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][Ring1][#Branch1][=C][Ring2][Ring1][C][C][C][C][Ring1][Ring1] |
23,973,470 | CCOC(=O)c1sc(NC(=O)CCSc2nc3c(cc2C#N)CC(c2ccccc2)CC3)c(C#N)c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][C][S][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][C][#N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S][=C][Branch1][Ring1][C][#N][C][=Ring2][Ring1][#C][C] |
25,701,277 | COc1ccc(CN(C)Cn2nc3n(-c4ccccc4)c(=O)c4ccccc4n3c2=S)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][N][Branch1][C][C][C][N][N][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][P][C][Ring2][Ring1][Ring2][=S][C][=C][Ring2][Ring1][#C] |
44,411,557 | COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(COc3ccc(OCC(=O)O)c(C)c3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][P][C][=C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][C][Branch2][Ring1][#Branch1][C][O][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring1][N][=N][Ring2][Ring1][N][C][=C][Ring2][Ring2][C] |
115,280,963 | C/C=C/C(=O)NCC1(N(C)C)CCCC1 | [C][/C][=C][/C][=Branch1][C][=O][N][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][C][C][C][Ring1][Branch2] |
63,796,976 | OC(c1cc2c(cc1Cl)OCCCO2)c1sccc1Br | [O][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][O][C][C][C][O][Ring1][#Branch2][C][S][C][=C][C][=Ring1][Branch1][Br] |
91,621,026 | CCCc1c(CC)cnc2nc(N)nc(N)c12 | [C][C][C][C][=C][Branch1][Ring1][C][C][C][=N][C][=N][C][Branch1][C][N][=N][C][Branch1][C][N][=C][Ring1][=C][Ring1][Branch2] |
47,055,221 | Cn1c(=O)c2sccc2n2c(CN3CCCc4cc(F)cc(F)c43)nnc12 | [C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][N][C][Branch2][Ring1][=Branch1][C][N][C][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][Ring1][N][=N][N][=C][Ring2][Ring1][#Branch2][Ring2][Ring1][C] |
43,599,618 | CCOC(=O)c1ccc(NCCCNC2CC2)nc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][N][C][C][C][N][C][C][C][Ring1][Ring1][N][=C][Ring1][=C] |
117,018,442 | CCCN1CC(CC(=O)O)CC1(C)C | [C][C][C][N][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][Ring1][=Branch2][Branch1][C][C][C] |
52,184,512 | Cc1ccc2ncn(CCN3CCC[C@H](C(N)=O)C3)c(=O)c2c1 | [C][C][=C][C][=C][N][=C][N][Branch2][Ring1][C][C][C][N][C][C][C][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][=Branch2][C][=Branch1][C][=O][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] |
123,216,336 | Cc1ccc(OC2CCc3c(B4OC(C)(C)C(C)(C)O4)ccc(F)c32)cc1C | [C][C][=C][C][=C][Branch2][Ring2][=Branch2][O][C][C][C][C][=C][Branch2][Ring1][Ring2][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2][C][=C][C][Branch1][C][F][=C][Ring1][S][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch2][C] |
141,989,317 | COc1cc(NSc2ccc(F)cc2)ccc1CSc1nc(C2=CCC=C(c3cccs3)S2)c(C)c(=O)[nH]1 | [C][O][C][=C][C][Branch1][=C][N][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][#C][C][S][C][=N][C][Branch2][Ring1][C][C][=C][C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][S][Ring1][O][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][Ring2][Ring1][Ring1] |
81,360,709 | CCOC(CN[C@@H](C)c1cccc(C)c1)OCC | [C][C][O][C][Branch2][Ring1][C][C][N][C@@H1][Branch1][C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C] |
107,779,631 | CCOc1ncnc(Sc2ccoc2C)c1N | [C][C][O][C][=N][C][=N][C][Branch1][#Branch2][S][C][C][=C][O][C][=Ring1][Branch1][C][=C][Ring1][=N][N] |
164,099,558 | CCC1(O)CCCC(C#N)C1(OC)c1ccccc1 | [C][C][C][Branch1][C][O][C][C][C][C][Branch1][Ring1][C][#N][C][Ring1][=Branch2][Branch1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
21,521,924 | CCC(C)(OC)C(C)CCC(C)C/C=C/C(C)=C/C(=O)OC(C)C | [C][C][C][Branch1][C][C][Branch1][Ring1][O][C][C][Branch1][C][C][C][C][C][Branch1][C][C][C][/C][=C][/C][Branch1][C][C][=C][/C][=Branch1][C][=O][O][C][Branch1][C][C][C] |
124,091,467 | CC(C)(C)OC(=O)N1CC(CN(C(=O)CO)[C@@H](c2nc(-c3cc(F)ccc3F)cn2Cc2ccccc2)C(C)(C)C)C(NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN2C(=O)C=CC2=O)C1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][Branch2][Branch1][Branch1][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C@@H1][Branch2][Ring1][#C][C][=N][C][Branch1][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][=C][N][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Branch2][Branch1][C][N][C][=Branch1][C][=O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][Ring1][=Branch1][=O][C][Ring2][=Branch1][=N] |
112,954,477 | COc1ccc(CCNc2nncc(Nc3ccc(C)c(C)c3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][C][N][C][=N][N][=C][C][Branch1][S][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch2] |
101,385,961 | CCOC(=O)C(CSCc1ccccc1)N=[N+]=[N-] | [C][C][O][C][=Branch1][C][=O][C][Branch1][N][C][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N+1][=N-1] |
115,379,083 | Cc1ccc(-n2c(C)cc3c2CCCC3N)cc1N(C)C | [C][C][=C][C][=C][Branch2][Ring1][C][N][C][Branch1][C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1][N][C][=C][Ring1][P][N][Branch1][C][C][C] |
65,603,110 | NS(=O)(=O)CCNC(=O)c1cc(F)c(F)cc1C(=O)O | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O] |
138,017,784 | CC(C)c1nccnc1NC(=O)c1noc2c1COCC2 | [C][C][Branch1][C][C][C][=N][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][O][C][C][Ring1][=Branch1] |
94,207,832 | C=CCNC(=O)N[C@@H](CC(=O)OCC)c1ccccc1 | [C][=C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
89,584,796 | CCOC(=O)C1CCC(Oc2ccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)nn3)cn2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][Branch2][Ring2][P][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][NH1][Ring1][=N][N][=N][Ring2][Ring1][Ring1][C][=N][Ring2][Ring1][=Branch2][C][C][Ring2][Ring1][S] |
56,188,063 | O=C(CNC(=O)c1ccccc1)OCc1ccc(OCc2ccccn2)cc1 | [O][=C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=C] |
116,558,111 | CC(C)NCCCC(=O)CC1CCCc2ccccc21 | [C][C][Branch1][C][C][N][C][C][C][C][=Branch1][C][=O][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] |
145,333,360 | CC(C)c1cc2c(oc3ccccc32)c2c1-n1nc(C#N)nc1-c1c(C(C)(C)[C@@H](C)F)ccc3c1C(c1ccccc1C3)C2C.CCCC | [C][C][Branch1][C][C][C][=C][C][=C][Branch1][N][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring1][=N][N][N][=C][Branch1][Ring1][C][#N][N][=C][Ring1][#Branch1][C][=C][Branch1][=N][C][Branch1][C][C][Branch1][C][C][C@@H1][Branch1][C][C][F][C][=C][C][=C][Ring1][N][C][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][Ring2][Ring1][=C][C].[C][C][C][C] |
71,981,381 | CN(Cc1nc2c(s1)CCCC2)c1ccc2nnnn2n1 | [C][N][Branch1][P][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][C][=C][C][=N][N][=N][N][Ring1][Branch1][N][=Ring1][=Branch2] |
137,149,560 | Oc1ccc(C2=[N+]3[B]n4c(-c5ccc(O)cc5)cc(-c5ccccc5)c4N=C3C(c3ccccc3)=C2)cc1 | [O][C][=C][C][=C][Branch2][Branch1][#Branch1][C][=N+1][BH0][N][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][N][=C][Ring2][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][#C][C][=C][Ring2][Ring2][Branch1] |
61,625,318 | Cc1ccc(C(C(C)N)N(C)Cc2ccsc2)s1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][=Branch1][C][Branch1][C][C][N][N][Branch1][C][C][C][C][C][=C][S][C][=Ring1][Branch1][S][Ring1][P] |
9,667,279 | Nc1c(Br)cc(Br)cc1C(=O)N/N=C/c1ccccc1 | [N][C][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][/N][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1] |
161,691,579 | CC(C)(C)c1cc(-n2cc3ccccc3n2)c(O)c(C(C)(C)C)c1.COc1c(-n2cc3ccccc3n2)cc(C(C)(C)C)cc1C(C)(C)C.COc1c(N)cc(C(C)(C)C)cc1C(C)(C)C.COc1c(N=Cc2ccccc2[N+](=O)[O-])cc(C(C)(C)C)cc1C(C)(C)C.COc1c([N+](=O)[O-])cc(C(C)(C)C)cc1C(C)(C)C.COc1ccc(C(C)(C)C)cc1C(C)(C)C | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=C][N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring2].[C][O][C][=C][Branch1][=C][N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1][C][Branch1][C][C][Branch1][C][C][C].[C][O][C][=C][Branch1][C][N][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][O][C][Branch1][C][C][Branch1][C][C][C].[C][O][C][=C][Branch1][S][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C].[C][O][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N][C][Branch1][C][C][Branch1][C][C][C].[C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C] |