CID
int64 8
172M
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large_stringlengths 1
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stringlengths 3
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|---|---|---|
119,185,125 | CCN(CC)C(=O)CCCNC(=O)c1ccc(C(=O)O)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2] |
134,871,042 | CC1C2CC(c3ccccc3)=NC12C | [C][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring1][N][Ring1][O][C] |
156,263,070 | CCOCCOC(=O)c1ccccc1Sc1cc(C(C)(C)C)cc2cc(C#N)c(C#N)c(C3=CC(C(F)(F)F)=CCC3)c12 | [C][C][O][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][Ring1][C][#N][C][Branch2][Ring1][Ring1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][C][Ring1][#Branch2][=C][Ring2][Ring1][N][Ring2][Ring1][Ring2] |
129,387,577 | COC(=O)[C@H](C)c1ccc(I)c(F)c1 | [C][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][=C][C][=C][Branch1][C][I][C][Branch1][C][F][=C][Ring1][Branch2] |
19,928,610 | O=C(Cc1ccccc1)NCCc1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)OC3CCCCC3)nc2)cc1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][C][=C][Branch2][Ring2][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1][N][=C][Ring1][#C][C][=C][Ring2][Ring1][O] |
118,456,406 | CC(C)CCC(CC(C)C)n1ccc(=O)[nH]c1=O | [C][C][Branch1][C][C][C][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O] |
20,778,258 | Cc1sc2cc(N(c3ccccc3)c3ccccc3)ccc2c1C1=C(c2c(C)sc3cc(N(c4ccccc4)c4ccccc4)ccc23)C(F)(F)C(F)(F)C1(F)F | [C][C][S][C][=C][C][Branch2][Ring1][Ring2][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring1][C][=Ring2][Ring1][=Branch1][C][=C][Branch2][Ring2][=Branch2][C][=C][Branch1][C][C][S][C][=C][C][Branch2][Ring1][Ring2][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Ring2][Ring1][S][Branch1][C][F][F] |
170,836,923 | CCc1ccc(Cl)cc1CC(=O)CCl | [C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][C][Cl] |
156,500,063 | CCCc1ccc(CCc2cc(=O)cc(OCC3Oc4ccccc4O3)[nH]2)cc1 | [C][C][C][C][=C][C][=C][Branch2][Ring1][S][C][C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][S][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][NH1][Ring2][Ring1][C][C][=C][Ring2][Ring1][#Branch2] |
16,340,410 | NC(=O)C1CCN(C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring2][Branch2][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][=C][Ring2][Ring1][C][C][C][Ring2][Ring1][N] |
130,420,553 | NC(=O)c1cc(N)ccc1S | [N][C][=Branch1][C][=O][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][S] |
67,010,417 | CNc1nc(C(F)(F)F)ccc1CO | [C][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][O] |
6,672,289 | C=CCN(C)C[C@H]1C[C@@H](c2ccc(CO)cc2)O[C@@H](c2ccc(CNC(=O)CCCCCCC(=O)Nc3ccccc3N)cc2)O1 | [C][=C][C][N][Branch1][C][C][C][C@H1][C][C@@H1][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][O][C@@H1][Branch2][Ring2][#Branch1][C][=C][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring2][Ring1][#Branch2][O][Ring2][Ring2][Branch2] |
82,096,523 | CCCCOC(=O)c1cccc(NCCCN(C)C)c1 | [C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][N][C][C][C][N][Branch1][C][C][C][=C][Ring1][=N] |
107,513,349 | CCNC(c1cccc(C)n1)c1ccc(C)c(F)c1F | [C][C][N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][C][=C][Branch1][C][C][C][Branch1][C][F][=C][Ring1][Branch2][F] |
166,532,566 | C=C(NC1CCCC(C)C1)NC(C)C1=C(C)c2ccccc2C1.CC | [C][=C][Branch1][=N][N][C][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][N][C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2].[C][C] |
119,995,602 | CCC(=O)Nc1cccc(C(=O)NCC(C)CN)c1.Cl | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][N][=C][Ring1][=C].[Cl] |
153,947,113 | Nc1ncc(C(F)(F)F)c(-c2cccc([N+](=O)[O-])c2)n1 | [N][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][=N][Ring2][Ring1][Ring1] |
50,748,663 | Cc1cccc2cc(-c3noc(-c4ccccc4)n3)c(N3CCOCC3)nc12 | [C][C][=C][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring2][Ring1][O][Ring2][Ring1][#Branch1] |
104,508,928 | Cc1cc(Br)ccc1-n1nc(C(F)(F)F)c(C#N)c1Cl | [C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][Ring1][C][#N][=C][Ring1][O][Cl] |
70,406,711 | CCC(=O)O[C@]1(C(C)=O)C(C)C[C@H]2[C@@H]3CC(C)C4=CC(=O)CC[C@]4(C)[C@@]3(Br)C(O)C[C@@]21C | [C][C][C][=Branch1][C][=O][O][C@][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][C][C][C][C@H1][C@@H1][C][C][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@@][Ring1][=N][Branch1][C][Br][C][Branch1][C][O][C][C@@][Ring2][Ring1][Ring1][Ring2][Ring1][#Branch2][C] |
119,958,136 | COCCNCC(=O)NCc1ccco1.Cl | [C][O][C][C][N][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1].[Cl] |
111,626,676 | CN=C(NCCCCSC)NCc1ccccc1COc1ccccc1 | [C][N][=C][Branch1][Branch2][N][C][C][C][C][S][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
60,017,866 | C(=Nc1ccccc1)C1CCCC1P1N(c2ccccc2)CCN1c1ccccc1 | [C][=Branch1][#Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1][P][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
19,082,414 | CCc1[nH]c2ccc(OC)cc2c1CCNC(C)=O | [C][C][C][NH1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Ring1][O][C][C][N][C][Branch1][C][C][=O] |
145,185,224 | C/C=C(\C=NC)c1ccncc1C(C)Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1.CC | [C][/C][=C][Branch1][Ring2][\C][=N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][C][N][C][=C][C][Branch1][P][C][=C][C][=C][C][=C][N][Branch1][C][C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2].[C][C] |
168,142,493 | C[C@@H]1N=C(c2c(F)cccc2F)c2c(ccc(Cl)c2Cl)-n2nc(C(=O)N3CC(F)C3)nc21 | [C][C@@H1][N][=C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=C][Branch1][O][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][N][N][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][C][Ring1][Branch1][N][=C][Ring1][N][Ring2][Ring1][#C] |
63,652,555 | Nc1ccccc1NC(=O)COc1ccccc1CO | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O] |
53,383,108 | CCCCCNC(=O)C(C1CC1)n1c(=O)c(-c2ccccc2)nc2ccccc21 | [C][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] |
109,642,962 | CN=C(NCCCCc1ccc([N+](=O)[O-])cc1)N1CCN(C(C)C(=O)N2CCCC2)CC1.I | [C][N][=C][Branch2][Ring1][Branch1][N][C][C][C][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][C][C][N][Branch1][S][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][#C].[I] |
97,410,281 | CN(C)C(=O)N1C[C@@H]2C(=O)N(C)C3(CCN(S(C)(=O)=O)CC3)[C@@H]2C1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch2][Ring1][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][C@@H1][Ring1][S][C][Ring2][Ring1][Ring1] |
116,834,090 | O=C(O)CC(c1cc[nH]c1)c1ccc(Br)s1 | [O][=C][Branch1][C][O][C][C][Branch1][Branch2][C][C][=C][NH1][C][=Ring1][Branch1][C][=C][C][=C][Branch1][C][Br][S][Ring1][=Branch1] |
20,389,373 | Nc1nc(N)c2nc(/C=C/c3ccc(C(=O)O)cc3)cnc2n1 | [N][C][=N][C][Branch1][C][N][=C][N][=C][Branch2][Ring1][C][/C][=C][/C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=N][C][Ring1][P][=N][Ring2][Ring1][=Branch1] |
162,858,914 | NCCOc1ccc(/C=C/C(=O)CO[C@@]2(C(=O)O)C[C@@H](O)[C@@H](O)[C@@H]3O[C@H](C(=O)/C=C/c4cc(O)c(O)cc4CO)[C@@H](CO)C[C@H]32)cc1O | [N][C][C][O][C][=C][C][=C][Branch2][=Branch1][Ring1][/C][=C][/C][=Branch1][C][=O][C][O][C@@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][O][C@H1][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][/C][=C][/C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][O][C@@H1][Branch1][Ring1][C][O][C][C@H1][Ring2][Ring1][=Branch1][Ring2][Ring1][#C][C][=C][Ring2][Ring2][O][O] |
7,363,321 | CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccccc1)OCCO3 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][Ring2][C][Ring1][Branch2][N][C][=C][C][=C][Branch1][S][C][=C][Ring1][=Branch1][C@@H1][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][O][Ring1][#C] |
104,387,070 | CCCOc1nc(Cl)nc(NCC(=O)N(CC)CC)n1 | [C][C][C][O][C][=N][C][Branch1][C][Cl][=N][C][Branch1][=C][N][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][=N][Ring1][S] |
15,391,915 | CC(C)CC(c1ccc(C(F)(F)F)cc1)c1c(C2CCCC2)nc2c(c1-c1ccc(F)cc1)C(O)CC(C)C2 | [C][C][Branch1][C][C][C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][N][=C][C][=Branch1][#C][=C][Ring1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][O][C][C][Branch1][C][C][C][Ring1][S] |
166,864,846 | CC(C)(C)C1N=C(C(=O)NCc2ccc(-c3ccnc4nc(-c5ccc(N6CCC(F)CC6)cn5)[nH]c34)cc2F)NO1 | [C][C][Branch1][C][C][Branch1][C][C][C][N][=C][Branch2][Branch1][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch2][Ring2][Branch2][C][=C][C][=N][C][N][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][N][C][C][C][Branch1][C][F][C][C][Ring1][#Branch1][C][=N][Ring1][=N][NH1][C][Ring2][Ring1][=Branch1][=Ring2][Ring1][C][C][=C][Ring2][Ring1][N][F][N][O][Ring2][Ring2][=Branch1] |
122,336,652 | O=C(c1ccc2ccccc2n1)N1CCN(c2ccc(N3CCN(CCO)CC3)nn2)CC1 | [O][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][N][C][C][N][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][N][C][C][N][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2][N][=N][Ring1][#C][C][C][Ring2][Ring1][Branch1] |
104,860,159 | Cc1ccc(C)c(NC2CC(C)C2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch1][O][N][C][C][C][Branch1][C][C][C][Ring1][Branch1][=C][Ring1][=N] |
54,559,155 | Cc1cnc2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)C=Cc4ccc(N5CCCC5=O)cc4)c3Cl)c2n1 | [C][C][=C][N][=C][C][=C][C][=C][Branch2][Branch1][Branch1][O][C][C][=C][Branch1][C][Cl][C][=C][C][Branch2][Ring2][Ring1][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N][=C][Ring2][Ring1][=N][Cl][C][Ring2][Ring2][=Branch1][=N][Ring2][Ring2][#Branch2] |
105,810,622 | COC(=O)c1ccc(N)c(NC(C)C2CCOCC2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][Branch1][=C][N][C][Branch1][C][C][C][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][S] |
54,115,495 | COc1ccc(C=c2c(=O)n(Cc3ccccc3)c(=Cc3c(Cl)cccc3Cl)c(=O)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][N][C][=C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][=C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2][C][C][=C][Ring2][Ring1][S] |
89,134,705 | C=C(N)/C(=C/C)CCC(C)C | [C][=C][Branch1][C][N][/C][=Branch1][Ring1][=C][/C][C][C][C][Branch1][C][C][C] |
134,326,407 | C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cc(OC(=O)C(C)(C)C)cc4ccccc24)C3)CC1CC#N | [C][=C][C][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][N][C][=N][C][Branch1][O][O][C][C@@H1][C][C][C][N][Ring1][Branch1][C][=N][C][=C][Ring1][=C][C][C][N][Branch2][Ring1][=C][C][=C][C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][C][C][Ring2][Ring2][=Branch2][C][C][#N] |
106,526,408 | CC(C#N)Cc1nc(-c2ccncn2)no1 | [C][C][Branch1][Ring1][C][#N][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=N][Ring1][=Branch1][=N][O][Ring1][O] |
116,462,739 | CCCC(N)c1ccc(-c2cc(F)c(Br)cc2C)s1 | [C][C][C][C][Branch1][C][N][C][=C][C][=C][Branch1][S][C][=C][C][Branch1][C][F][=C][Branch1][C][Br][C][=C][Ring1][Branch2][C][S][Ring1][=C] |
8,198,356 | O=C(Cn1cnc2ccccc2c1=O)Oc1ccc(I)cc1 | [O][=C][Branch1][P][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1] |
119,020,036 | Nc1ncc(C(F)F)c(OC(F)(F)F)c1CC(=O)O | [N][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][C][C][=Branch1][C][=O][O] |
171,972,086 | Cc1c(F)cccc1C1=CC2CCCC(C1)N2C(=O)OC(C)(C)C | [C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][=C][C][C][C][C][C][Branch1][Ring2][C][Ring1][Branch2][N][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
43,089,110 | Cn1cc(CNc2cccc(I)c2)cn1 | [C][N][C][=C][Branch1][=C][C][N][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1][C][=N][Ring1][=C] |
107,690,644 | O=C(Nc1cccc(C#CCO)c1)c1c(O)cccc1O | [O][=C][Branch1][S][N][C][=C][C][=C][C][Branch1][Branch1][C][#C][C][O][=C][Ring1][#Branch2][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][O] |
76,348,290 | COCC(C)n1c(C)cc(C=C(C#N)C(=O)NOC2CCCCO2)c1C | [C][O][C][C][Branch1][C][C][N][C][Branch1][C][C][=C][C][Branch2][Ring1][Branch1][C][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][O][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][C] |
801,323 | Cc1cc2nnc(SCCc3ccccc3)n2c2ccccc12 | [C][C][=C][C][=N][N][=C][Branch1][N][S][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=C][C][=C][C][=C][C][=C][Ring2][Ring1][=Branch1][Ring1][=Branch1] |
106,143,411 | Cc1cccc(C(=O)NCC(C)(C)CCBr)n1 | [C][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][C][Br][=N][Ring1][S] |
102,326,983 | [Se-]CC[Se][SeH] | [Se-1][C][C][Se][SeH1] |
93,487,537 | CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCc2ccccc2C1 | [C][C][C@@H1][Branch1][=C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] |
45,922,131 | Cc1ccc(-c2noc(Cn3cc(C#N)c4ccccc43)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=N][O][C][Branch2][Ring1][Ring1][C][N][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=N][Ring1][P][C][=C][Ring2][Ring1][#Branch1] |
82,258,280 | CCN(CC)CCNCC(=O)c1cccc(N)c1 | [C][C][N][Branch1][Ring1][C][C][C][C][N][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1] |
11,529,784 | O=C1COCC(=O)C1C(=O)Nc1ccc(OC(F)(F)F)cc1 | [O][=C][C][O][C][C][=Branch1][C][=O][C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O] |
113,724,179 | O=S(=O)(c1cccs1)N1CC2CCCNC2C1 | [O][=S][=Branch1][C][=O][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][C][C][N][C][Ring1][=Branch1][C][Ring1][=Branch2] |
69,536,815 | NC(N)=NN=Cc1cc(Br)cc(Br)c1 | [N][C][Branch1][C][N][=N][N][=C][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][Branch2] |
62,423,834 | CNCc1nc(CN2CCN(c3nccs3)CC2)cs1 | [C][N][C][C][=N][C][Branch2][Ring1][Ring1][C][N][C][C][N][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][O][=C][S][Ring1][P] |
161,705,560 | Clc1cc2c(cc1Cl)Sc1cc(Cl)c(Cl)cc1N2.Nc1cc(Cl)c(Cl)cc1Sc1cc(Cl)c(Cl)cc1Cl.Nc1cc(Cl)c(Cl)cc1Sc1cc(Cl)c(Cl)cc1Cl.O=[N+]([O-])c1cc(Cl)c(Cl)cc1F.O=[N+]([O-])c1cc(Cl)c(Cl)cc1Sc1cc(Cl)c(Cl)cc1Cl.O=[N+]([O-])c1cc(Cl)c(Cl)cc1Sc1cc(Cl)c(Cl)cc1Cl.Sc1cc(Cl)c(Cl)cc1Cl | [Cl][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][S][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][N][Ring1][#C].[N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][S][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl].[N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][S][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl].[O][=N+1][Branch1][C][O-1][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][F].[O][=N+1][Branch1][C][O-1][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][S][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl].[O][=N+1][Branch1][C][O-1][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][S][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl].[S][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl] |
6,735,519 | Cc1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1[N+](=O)[O-] | [C][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1] |
140,778,688 | CN1CCC2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2NCc1ccccc1 | [C][N][C][C][C][Branch1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][C@@H1][Ring1][=C][C@@H1][Ring1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
12,912,863 | COc1cccc(OC)c1C(=O)NC(=O)Nc1ccc(OCc2ccc(Cl)cc2)nc1 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][#C] |
93,534,835 | C[C@@H](Sc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)c1nc(-c2cccnc2)no1 | [C][C@@H1][Branch2][Ring2][Ring1][S][C][=N][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][N][=C][N][Ring1][S][C][C][C][C][C][Ring1][#Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O] |
166,295,711 | O=C(O)[C@H]1C[C@H](O)CN1S(=O)(=O)N1CCCCCCC1 | [O][=C][Branch1][C][O][C@H1][C][C@H1][Branch1][C][O][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][Branch2] |
57,344,063 | C/C(=N\NC(=S)Nc1cccc(C(=O)O)c1)c1csc(-c2ccc(C(C)(C)C)cc2)c1O.C1CCOC1 | [C][/C][=Branch2][Ring1][#Branch1][=N][\N][C][=Branch1][C][=S][N][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][=C][S][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=C][Ring1][#C][O].[C][C][C][O][C][Ring1][Branch1] |
18,020,261 | CCCCCCCN(C(=O)CNC(=O)OC(C)(C)C)C(C(=O)NC(C)CCC)c1cccc(C)c1 | [C][C][C][C][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] |
46,987,564 | Cc1ccc(CN(Cc2ccncc2)Cc2coc3ccccc3c2=O)s1 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][S][Ring2][Ring1][#Branch2] |
49,788,030 | COc1cc(NC(=O)c2cccc(I)c2C(=O)NC(C)(C)CSC)cc(C(F)(F)F)c1 | [C][O][C][=C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][S][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][=N] |
157,445,693 | CC(C)c1cccc(C(C)C)c1-c1cn(-c2cccc(Oc3cccc(C4(c5ccccn5)c5ccccc5Sc5ccccc54)c3)c2)nn1.C[n+]1ccn(-c2cccc(Oc3cccc(C4(c5ccccn5)c5ccccc5Sc5ccccc54)c3)c2)c1.C[n+]1cn(-c2cccc(Oc3cccc(C4(c5ccccn5)c5ccccc5Sc5ccccc54)c3)c2)c2ccccc21.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5ccccc5Sc5ccccc54)c3)cc(-c3cc(C(C)(C)C)ccn3)c2)c(C)c1.Cc1cc(C)c(-c2cc(Oc3cccc(C4(c5ccccn5)c5ccccc5Sc5ccccc54)c3)cc(-c3nc4ccccc4s3)c2)c(C)c1.Cc1cccc(C)c1-c1cc(Oc2cccc(C3(c4ccccn4)c4ccccc4Sc4ccccc43)c2)cc(-c2cc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)ccn2)c1.Cc1cccc(C)c1-c1cc(Oc2cccc(C3(c4ccccn4)c4ccccc4Sc4ccccc43)c2)cc(-n2cc(-c3c(C(C)C)cccc3C(C)C)nn2)c1.Cc1cccc(C)c1-c1cn(-c2cccc(Oc3cccc(C4(c5ccccn5)c5ccccc5Sc5ccccc54)c3)c2)nn1.[I-].[I-] | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][C][=C][N][Branch2][Branch1][=Branch2][C][=C][C][=C][C][Branch2][Ring2][=N][O][C][=C][C][=C][C][Branch2][Ring1][S][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2][=C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][P][N][=N][Ring2][Ring2][=Branch1].[C][N+1][C][=C][N][Branch2][Branch1][=Branch2][C][=C][C][=C][C][Branch2][Ring2][=N][O][C][=C][C][=C][C][Branch2][Ring1][S][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2][=C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][P][C][=Ring2][Ring2][=Branch1].[C][N+1][=C][N][Branch2][Branch1][=Branch2][C][=C][C][=C][C][Branch2][Ring2][=N][O][C][=C][C][=C][C][Branch2][Ring1][S][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2][=C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][#Branch2].[C][C][=C][C][Branch1][C][C][=C][Branch2][=Branch1][=C][C][=C][C][Branch2][Ring2][=N][O][C][=C][C][=C][C][Branch2][Ring1][S][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2][=C][Ring2][Ring1][#Branch2][=C][C][Branch2][Ring1][Ring1][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=N][Ring1][#Branch2][=C][Ring2][Ring2][O][C][Branch1][C][C][=C][Ring2][Branch1][Ring1].[C][C][=C][C][Branch1][C][C][=C][Branch2][=Branch1][Branch2][C][=C][C][Branch2][Ring2][=N][O][C][=C][C][=C][C][Branch2][Ring1][S][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2][=C][Ring2][Ring1][#Branch2][=C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][Ring2][Ring2][#Branch2][C][Branch1][C][C][=C][Ring2][Branch1][C].[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][C][Branch2][Ring2][=N][O][C][=C][C][=C][C][Branch2][Ring1][S][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2][=C][Ring2][Ring1][#Branch2][=C][C][Branch2][Branch1][Branch1][C][=C][C][Branch2][Ring2][=Branch2][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=C][C][=N][Ring2][Ring1][O][=C][Ring2][Branch1][N].[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][C][Branch2][Ring2][=N][O][C][=C][C][=C][C][Branch2][Ring1][S][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2][=C][Ring2][Ring1][#Branch2][=C][C][Branch2][Ring1][#C][N][C][=C][Branch2][Ring1][Branch1][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][Ring1][=Branch2][C][Branch1][C][C][C][N][=N][Ring1][P][=C][Ring2][Branch1][C].[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][N][Branch2][Branch1][=Branch2][C][=C][C][=C][C][Branch2][Ring2][=N][O][C][=C][C][=C][C][Branch2][Ring1][S][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2][=C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][P][N][=N][Ring2][Ring2][=Branch1].[I-1].[I-1] |
142,676,511 | [2H]NC(=O)N(O)[C@@H](Cc1ccccc1)C(=O)O | [2H][N][C][=Branch1][C][=O][N][Branch1][C][O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
116,630,408 | Cn1ncc(C(=O)O)c1Cn1ccc2ccccc2c1=O | [C][N][N][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][Branch2][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] |
109,699,779 | CN=C(NCc1cc2ccccc2o1)NC1CN(C(C)C)CC1C | [C][N][=C][Branch1][S][N][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][Branch2][C] |
103,695,548 | Cc1ccc(NC2CCCC2CNC(=O)OC(C)(C)C)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][C][C][C][Ring1][Branch1][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch1][Cl] |
59,012,753 | Cc1c(NC(=O)NCC(C)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)cccc1NC(=O)NC(C)(C)C | [C][C][=C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][#Branch2][O][Si][Branch1][C][C][Branch1][C][C][C][O][Si][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][Ring2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C] |
82,041,181 | CC(C)CNC(=O)CCC(=O)NCC(=O)O | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O] |
161,420,157 | N=C(/C=C(\N=Cc1ccccc1)c1ccccc1-c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1C2=O)c1ccccc1.O=C1c2ccccc2C(c2ccccc2)(c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2)c2ccccc21.O=C1c2ccccc2C(c2ccccc2)(c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)c2ccccc21.O=C1c2ccccc2C(c2ccccc2)(c2ccccc2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c2ccccc21 | [N][=C][Branch2][=Branch1][Ring1][/C][=C][Branch1][O][\N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch2][Ring2][#Branch2][C][=C][C][=C][Branch2][Ring1][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][N].[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch2][Ring2][#Branch2][C][=C][C][=C][C][Branch2][Ring1][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][N].[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch2][Ring2][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][N] |
135,361,624 | Cc1noc(C)c1-c1ccc2nc(N3CCN(CCN(C)C)CC3)nc(OC(C)(C)C)c2c1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Branch2][Ring1][C][N][C][C][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][C][Ring1][O][N][=C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2] |
64,636,450 | COCCCS(=O)C(C)C(=O)c1ccc(Cl)cc1 | [C][O][C][C][C][S][=Branch1][C][=O][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
43,879,989 | COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring2][C][C][C][=Branch1][C][=O][N][/N][=C][/C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] |
166,629,292 | COc1ccc2cc3[n+](cc2c1OCC(O)CSc1nccn1C)CCc1cc2c(cc1-3)OCO2.[Br-] | [C][O][C][=C][C][=C][C][=C][N+1][=Branch2][Ring1][Branch2][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C][C][Branch1][C][O][C][S][C][=N][C][=C][N][Ring1][Branch1][C][C][C][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch2][O][C][O][Ring1][#Branch1].[Br-1] |
171,538,404 | COc1ccc(S(=O)(=O)N(CC(=O)O)c2c(OCC(F)(F)F)c(CN(CC(=O)O)S(=O)(=O)c3ccc(-c4ccccc4)cc3)cc3ccccc23)cc1 | [C][O][C][=C][C][=C][Branch2][#Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][C][Branch2][Ring2][Ring2][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][=C][C][=C][C][=C][C][=C][Ring2][Ring2][Branch1][Ring1][=Branch1][C][=C][Ring2][Branch1][Ring1] |
61,813,790 | CC(NC1CC1c1ccccc1)c1ccco1 | [C][C][Branch1][#C][N][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][O][Ring1][Branch1] |
156,763,661 | COC(C)(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1cccc(-c2ccccc2)c1 | [C][O][C][Branch1][C][C][Branch2][Branch1][O][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N] |
68,742,737 | CCCCCCCCCCCCCCCCNC(=O)C1(CCCCCCCCCCCCCCCC)CC1 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][P][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Ring2][Ring1][Ring1] |
90,133,460 | CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc3c(Br)nn(C)c23)cc1 | [C][C][#C][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][=C][C][=C][C][C][Branch1][C][Br][=N][N][Branch1][C][C][C][Ring1][O][=Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] |
106,464,112 | CNC(C)C(=O)c1c(Br)nnn1C | [C][N][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][Br][N][=N][N][Ring1][=Branch1][C] |
125,941,604 | O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1Br | [O][=C][Branch2][Ring1][S][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] |
94,545,320 | O=C(CN1C(=O)S/C(=C\c2cccc(Cl)c2)C1=O)N[C@H]1CSC[C@H]1O | [O][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][S][/C][=Branch1][=N][=C][\C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring1][=C][=O][N][C@H1][C][S][C][C@H1][Ring1][Branch1][O] |
107,558,356 | Cc1ccc(OCc2ccc(CNC(C)(C)C)s2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][=C][C][=C][Branch1][O][C][N][C][Branch1][C][C][Branch1][C][C][C][S][Ring1][O][C][=C][Ring2][Ring1][Ring1] |
139,013,647 | CC1(C)CN(c2nc(C3CCOCC3)no2)[C@@H]2CCC[C@H]2O1 | [C][C][Branch1][C][C][C][N][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][=N][O][Ring1][O][C@@H1][C][C][C][C@H1][Ring1][Branch1][O][Ring2][Ring1][Branch1] |
92,430,993 | CCc1cc(=O)n2[nH]c([C@@H]3CCCCN3C(=O)c3cc(C)c(C)[nH]c3=O)cc2n1 | [C][C][C][=C][C][=Branch1][C][=O][N][NH1][C][Branch2][Ring1][N][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][C][C][NH1][C][Ring1][Branch2][=O][=C][C][Ring2][Ring1][=Branch1][=N][Ring2][Ring1][O] |
20,664,996 | [CH2-]CC[CH2-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y] | [CH2-1][C][C][CH2-1].[CH3-1].[CH3-1].[CH3-1].[Y].[Y].[Y] |
91,155,006 | CN(CC=C(C#C[Si](C)(C)C)c1ccsc1)CC(=O)O | [C][N][Branch2][Ring1][#Branch1][C][C][=C][Branch1][O][C][#C][Si][Branch1][C][C][Branch1][C][C][C][C][C][=C][S][C][=Ring1][Branch1][C][C][=Branch1][C][=O][O] |
109,204,548 | CC1CCN(C(=O)c2cc(N3CCCCC3)ccn2)CC1 | [C][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=N][Ring1][N][C][C][Ring2][Ring1][Ring2] |
20,099,235 | CNCc1noc(CN2CCCCCC2)n1 | [C][N][C][C][=N][O][C][Branch1][O][C][N][C][C][C][C][C][C][Ring1][#Branch1][=N][Ring1][=N] |