CID
int64 8
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large_stringlengths 1
3.78k
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stringlengths 3
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|---|---|---|
114,920,641 | CN(C)c1cccc(Oc2cc(CO)c(Cl)cn2)c1 | [C][N][Branch1][C][C][C][=C][C][=C][C][Branch1][P][O][C][=C][C][Branch1][Ring1][C][O][=C][Branch1][C][Cl][C][=N][Ring1][=Branch2][=C][Ring1][S] |
6,381,892 | CC(=O)OC1CC(C)(C)C(=C=C/C(C)=C/C=C/C=C/C=C(C)/C=C2\C=C(/C=C/C34OC3(C)CC(O)CC4(C)C)C(=O)O2)C(C)(O)C1 | [C][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch2][Branch1][#Branch1][=C][=C][/C][Branch1][C][C][=C][/C][=C][/C][=C][/C][=C][Branch1][C][C][/C][=C][\C][=C][Branch2][Ring1][Branch2][/C][=C][/C][O][C][Ring1][Ring1][Branch1][C][C][C][C][Branch1][C][O][C][C][Ring1][=Branch2][Branch1][C][C][C][C][=Branch1][C][=O][O][Ring2][Ring1][Ring1][C][Branch1][C][C][Branch1][C][O][C][Ring2][Ring2][#Branch2] |
53,318,091 | Cn1cc(-c2cnn3c(NC(C)(C)C)cc(C4CCCNC4)nc23)cn1 | [C][N][C][=C][Branch2][Ring2][Ring2][C][C][=N][N][C][Branch1][#Branch2][N][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=Branch2][C][C][C][C][N][C][Ring1][=Branch1][=N][C][=Ring2][Ring1][Ring2][Ring1][P][C][=N][Ring2][Ring1][=Branch2] |
122,304,961 | O=C(Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1)Nc1cccs1 | [O][=C][Branch2][Ring1][S][N][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][N][=N][Ring1][O][C][=C][Ring2][Ring1][C][N][C][=C][C][=C][S][Ring1][Branch1] |
63,409,439 | O=C(Cc1ccc(Cl)c(Cl)c1)c1cc(F)cc(F)c1 | [O][=C][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] |
119,220,851 | CC(CC(=O)O)NC(=O)COc1ccc(C(F)(F)F)cc1 | [C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] |
64,359,645 | CC(C)C(CCN)CCC(=O)Nc1cccc(C(N)=O)c1 | [C][C][Branch1][C][C][C][Branch1][Ring2][C][C][N][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2] |
8,533,493 | CC[NH+](CC(=O)NC(=O)NCC(C)C)Cc1ccccc1 | [C][C][NH1+1][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
167,161,609 | COC1CC(COc2nc(N3CC4CCC(C3)N4)c3cc(C(F)(F)F)c(-c4ccc(F)c5sc(N)nc45)c(F)c3n2)C1 | [C][O][C][C][C][Branch2][=Branch1][=Branch1][C][O][C][=N][C][Branch1][#C][N][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][C][F][C][S][C][Branch1][C][N][=N][C][Ring1][O][=Ring1][=Branch1][=C][Branch1][C][F][C][Ring2][Ring1][=Branch1][=N][Ring2][Ring2][C][C][Ring2][Ring2][Branch2] |
71,670,920 | COC(=O)C1CCCN1C1=C(C(=O)C(F)(F)F)C2(CCCCC2)C1 | [C][O][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=C][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][Ring1][#C] |
83,168,175 | CNCC(CCCC(C)C)Cc1ccccc1C | [C][N][C][C][Branch1][=Branch2][C][C][C][C][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C] |
123,224,894 | Nc1ccccc1NC(=O)C1=CC2CCCC3C=CC=CC3C2CC1 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][C][C][C][C][C][=C][C][=C][C][Ring1][=Branch1][C][Ring1][O][C][C][Ring1][#C] |
139,007,609 | CS(=O)(=O)C1(CNC(=O)c2ccc3ccc(Cl)cc3n2)CCC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][Ring1][O][C][C][C][Ring2][Ring1][Ring1] |
134,246,653 | C=C(C)C(=O)OCCC(CCO)CC1CCC(c2ccc(CCCCC(F)(F)F)cc2)CC1 | [C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][C][Branch1][Ring2][C][C][O][C][C][C][C][C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][C][C][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=C][C][C][Ring2][Ring1][Ring2] |
62,801,724 | CC(C)c1ccc(C2CCCCC2N)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch1][#Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][C][=C][Ring1][=N] |
125,074,272 | Cc1ccc(CN(C(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 | [C][C][=C][C][=C][Branch2][=Branch1][Ring2][C][N][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][Ring2][Ring2][N] |
83,070,103 | Cc1cscc1CNC(C)c1ccc(Cl)c(F)c1 | [C][C][=C][S][C][=C][Ring1][Branch1][C][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2] |
76,100,701 | CCCCC1(CC)CS(=O)(=O)c2cc(O)ccc2C(c2ccccc2)N1O | [C][C][C][C][C][Branch1][Ring1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][=Branch1][O] |
143,972,878 | COc1cc(F)cc(F)c1.Cc1csc(CN(C)C(=O)c2cccc(C(=O)NCCCNCc3cccc(C(F)(F)F)c3)c2)n1 | [C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2].[C][C][=C][S][C][Branch2][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch2][=N][Ring2][Ring2][C] |
171,606,052 | CS(=O)c1ncc(C#N)c(Nc2cccc(P(C)(C)=O)n2)n1 | [C][S][=Branch1][C][=O][C][=N][C][=C][Branch1][Ring1][C][#N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][P][Branch1][C][C][Branch1][C][C][=O][=N][Ring1][#Branch2][=N][Ring2][Ring1][Ring1] |
67,762,557 | CC(C)=CC[C@@H]1NC(=O)C2CCCN2C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)CCCC[C@@H](C(=O)O)NC(=O)[C@H](CC(C)(C)CN=C(N)N)NC1=O | [C][C][Branch1][C][C][=C][C][C@@H1][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][O][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][C][C][C][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][Branch1][C][C][Branch1][C][C][C][N][=C][Branch1][C][N][N][N][C][Ring2][Branch1][Branch1][=O] |
73,389,411 | Nc1cc(F)ccc1NC(=O)/C=C/c1cc(F)cc(/C=C/C(=O)c2ccc(Cl)cc2)c1 | [N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][Branch1][C][F][=C][C][Branch2][Ring1][C][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][C] |
117,110,312 | COc1ccc(C(=O)O)c2nn(C)c(C)c12 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][=C][Ring1][#Branch1] |
62,115,181 | O=Cc1ccc([N+](=O)[O-])c(OCc2ccc(F)c(Br)c2)c1 | [O][=C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][P][O][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Br][=C][Ring1][Branch2][=C][Ring2][Ring1][Ring1] |
126,158,023 | CCOc1cc(/C=N\NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 | [C][C][O][C][=C][C][Branch2][Ring1][Branch2][/C][=N][\N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] |
110,224,293 | Cc1ccoc1C(=O)NC(C)c1nc2c3c(C)c(C)oc3ncn2n1 | [C][C][C][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][N][=C][C][C][Branch1][C][C][=C][Branch1][C][C][O][C][=Ring1][#Branch1][N][=C][N][Ring1][O][N][=Ring1][=C] |
330,808 | O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1CCCN1CCOCC1 | [O][=C][C][=Branch1][=N][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][C][=Branch1][C][=S][N][Ring1][=C][C][C][C][N][C][C][O][C][C][Ring1][=Branch1] |
65,077,609 | CCN1CCCC(O)(CC(C)C)CC1 | [C][C][N][C][C][C][C][Branch1][C][O][Branch1][#Branch1][C][C][Branch1][C][C][C][C][C][Ring1][N] |
109,464,569 | CCC(CNC(=NC)NCCN1CCN(C(C)=O)CC1)Oc1cccc(C(F)(F)F)c1.I | [C][C][C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][Ring1][=N][C][N][C][C][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2].[I] |
98,102,983 | CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2C(c1ccccc1)c1ccccc1 | [C][C][Branch1][C][C][C@H1][C][C][C@@][Ring1][=Branch1][Branch1][C][C][C][=Branch1][C][=O][C@@H1][Ring1][Branch2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
116,102,228 | CCC(C)(CCSC)CNC | [C][C][C][Branch1][C][C][Branch1][Branch1][C][C][S][C][C][N][C] |
108,441,271 | COc1ccc(Cl)cc1N1C(=O)C(Nc2ccc(C)c(Cl)c2)=C(c2ccccc2)C1=O | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][S][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O] |
17,561,537 | Cc1ccc(-n2c(SCC(=O)N3CCN(c4ccccc4F)CC3)nnc2N2CCCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][N][N][C][Branch2][Ring1][#Branch2][S][C][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N][=N][N][=C][Ring2][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][P] |
68,390,574 | CCCCC(=O)NC1=NN(C(=O)CC)C(CCNS(C)(=O)=O)(c2ccccc2)S1 | [C][C][C][C][C][=Branch1][C][=O][N][C][=N][N][Branch1][#Branch1][C][=Branch1][C][=O][C][C][C][Branch1][N][C][C][N][S][Branch1][C][C][=Branch1][C][=O][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][=Branch1] |
170,743,808 | O=C(c1ccc(F)cc1Cl)N1CC2CCC(C1)N2c1cc(S(=O)(=O)N2CCC(c3ccccc3)CC2)cc(F)c1O | [O][=C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][N][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=C][C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][=C][C][Branch1][C][F][=C][Ring2][Ring1][=Branch1][O] |
129,354,812 | O=C(Nc1cnn(C[C@H]2CCCCO2)c1)c1ccoc1 | [O][=C][Branch2][Ring1][Ring2][N][C][C][=N][N][Branch1][#Branch2][C][C@H1][C][C][C][C][O][Ring1][=Branch1][C][=Ring1][N][C][C][=C][O][C][=Ring1][Branch1] |
69,246,748 | Cc1c(OCCN(C)C)cc(Cl)cc1N1CCN(C(=O)OC(C)(C)C)CC1 | [C][C][=C][Branch1][=Branch2][O][C][C][N][Branch1][C][C][C][C][=C][Branch1][C][Cl][C][=C][Ring1][=N][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N] |
87,974,684 | Cc1cc(C)cc(P(=O)(c2cc(C)cc(C)c2)c2ccc3c(c2-c2c(P(=O)(c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)ccc4c2OCCO4)OCCO3)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][#Branch1][O][P][=Branch1][C][=O][Branch1][#C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][C][=C][C][=Branch2][Branch1][Branch2][=C][Ring1][=Branch1][C][=C][Branch2][Ring2][Ring1][P][=Branch1][C][=O][Branch1][#C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][C][=C][Ring2][Ring1][Branch2][O][C][C][O][Ring1][=Branch1][O][C][C][O][Ring2][Ring2][Ring1][=C][Ring2][Branch1][#Branch1] |
66,618,614 | CCC(Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O.[K] | [C][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C@@H1][Ring1][Branch1][S][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch1][C][=Branch1][C][=O][O].[K] |
132,550,800 | CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cc[n+](CC(=O)N[C@@H](Cc2ccccc2)C(=O)OCC)c1 | [C][C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=C][N+1][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring2][Ring1][=Branch1] |
141,475,861 | CP(=O)(O)CCC(=C=O)C(=O)[O-].[K+] | [C][P][=Branch1][C][=O][Branch1][C][O][C][C][C][=Branch1][Ring1][=C][=O][C][=Branch1][C][=O][O-1].[K+1] |
2,704,584 | O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 | [O][=C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring2][Ring1][Ring1] |
26,686,866 | Cn1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1 | [C][N][C][=C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][#C][=N][Ring2][Ring1][#Branch1] |
103,241,429 | Cc1nc(OCCN2CCCC2)cc(=O)[nH]1 | [C][C][=N][C][Branch1][O][O][C][C][N][C][C][C][C][Ring1][Branch1][=C][C][=Branch1][C][=O][NH1][Ring1][#C] |
168,185,187 | COc1ncnc2[nH]cc(C3CC3C)c12 | [C][O][C][=N][C][=N][C][NH1][C][=C][Branch1][#Branch1][C][C][C][Ring1][Ring1][C][C][Ring1][=N][=Ring1][=Branch2] |
89,459,794 | C=CCCCCOC(COCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN(C)CC | [C][=C][C][C][C][C][O][C][Branch2][Ring1][Ring1][C][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][N][Branch1][C][C][C][C] |
117,106,251 | O=S1(=O)CCCC(Cc2cc(Cl)c(Cl)nn2)C1 | [O][=S][=Branch1][C][=O][C][C][C][C][Branch1][S][C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][N][=N][Ring1][Branch2][C][Ring1][S] |
54,002,106 | CCCNC(=O)C(C)Cc1ccc2[nH]cc(C(CCC)c3ccc(C(=O)O)cc3OC)c2c1 | [C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][C][=C][NH1][C][=C][Branch2][Ring1][Branch2][C][Branch1][Ring2][C][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][O][C][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2] |
134,576,984 | CNCCC(Oc1ccc(O)cc1-n1nc2c(N(C)C)nnc(C)c2c1C)c1ccccc1 | [C][N][C][C][C][Branch2][Ring2][Branch1][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][N][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][N][=C][Branch1][C][C][C][Ring1][#Branch2][=C][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
61,705,946 | COCCN1CCCC(CCC(=O)O)C1 | [C][O][C][C][N][C][C][C][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][Ring1][O] |
56,328,334 | Cc1sc(NC(=O)C2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c(C(N)=O)c1C | [C][C][S][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][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][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Ring2][Ring1][O][C] |
104,523,490 | CC1(C)CC(=O)Nc2cc(Cl)ccc2O1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring1][=C] |
7,931,187 | CC(C)(C(=O)OCC(=O)Nc1ccccc1Br)c1ccccc1 | [C][C][Branch1][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=C][C][=C][C][=C][Ring1][=Branch1] |
53,413,372 | O=C(Nc1cccc(C(F)(F)F)c1)NN1CCN(c2ccccc2F)CC1 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N] |
113,449,178 | CN1CCN(CC(O)C2CCCC2)CC1(C)C | [C][N][C][C][N][Branch1][=N][C][C][Branch1][C][O][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=C][Branch1][C][C][C] |
171,764,505 | Cc1cnc(-c2cc(C)c3ccccc3c2)cc1-c1ccc([Ge](C)(C)C)cc1C(F)(F)F | [C][C][=C][N][=C][Branch2][Ring1][C][C][=C][C][Branch1][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][O][C][=C][Ring1][P][C][=C][C][=C][Branch1][=Branch2][Ge][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F] |
106,232,369 | C#CC(CCC)NC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O | [C][#C][C][Branch1][Ring2][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][O] |
10,753,829 | CS/C(=C/C(=O)c1ccco1)Nc1ccccn1 | [C][S][/C][=Branch1][=N][=C][/C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][N][C][=C][C][=C][C][=N][Ring1][=Branch1] |
45,507,012 | CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3cn4c(n3)SCC4)cc2)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][S][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][Ring2][Ring1][Branch2] |
119,337,398 | CCCC(N)C(=O)N(CC(N)=O)[C@H](C)c1ccccc1 | [C][C][C][C][Branch1][C][N][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
167,319,385 | CCCC[C@H]1C(=O)N(C)[C@@H](CC(C)C)C(=O)NC(C2CCCCC2)C(=O)N[C@@H](CN)C(=O)N[C@@H](COCCCN)C(=O)N[C@H](C)CN1CC1CC1 | [C][C][C][C][C@H1][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][O][C][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][N][Ring2][Ring2][O][C][C][C][C][Ring1][Ring1] |
164,868,660 | CC.[As]C1CCC2(CCCC2)C1 | [C][C].[As][C][C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][Ring1][=Branch2] |
88,128,039 | CC(=O)N1CCN(S(=O)(=O)c2ccc(OCC#Cc3ccccc3)cc2)C(C(=O)NO)C1C | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][O][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][Ring2][Ring1][=N][C] |
58,855,803 | [C-]#[N+]c1cc(Cl)cc(Oc2c(Br)ccc(CC(=O)O)c2F)c1 | [C-1][#N+1][C][=C][C][Branch1][C][Cl][=C][C][Branch2][Ring1][=Branch1][O][C][=C][Branch1][C][Br][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][Ring1][O][F][=C][Ring2][Ring1][Ring2] |
114,355,324 | COCc1nnc2sc(C3(N)CCC3)nn12 | [C][O][C][C][=N][N][=C][S][C][Branch1][#Branch2][C][Branch1][C][N][C][C][C][Ring1][Branch1][=N][N][Ring1][=N][Ring1][#Branch2] |
4,309,383 | CC(=O)c1ccc2c(c1)N(Cc1cccc(C(=O)Nc3ccccc3F)c1)C(=O)CO2 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch2][Ring1][#Branch2][C][C][=C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring1][S][C][=Branch1][C][=O][C][O][Ring2][Ring1][=Branch2] |
69,606,466 | CCN(CC)Cc1ccc(C(=O)C=Cc2ccc(OC)cc2)cc1 | [C][C][N][Branch1][Ring1][C][C][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C] |
14,006,836 | Cc1ccc(N2CC3CC4([N+](=O)[O-])C=CC3(C2)O4)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][C][C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][C][Ring1][=Branch2][Branch1][Ring2][C][Ring1][N][O][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] |
142,641,452 | COC(=O)C(CC(=O)OC(C)(C)C)NC(=O)C(C)CC(=O)NCCc1ccccc1 | [C][O][C][=Branch1][C][=O][C][Branch1][#C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
76,879,577 | CC=CC=CC(=O)NCc1ccc(Oc2ccccc2)cc1 | [C][C][=C][C][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N] |
3,064,044 | Cl.OC1(CC2=NC=CC3c4ccccc4NC23)CCCC1 | [Cl].[O][C][Branch2][Ring1][Branch1][C][C][=N][C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][=N][Ring1][=Branch2][C][C][C][C][Ring2][Ring1][Ring1] |
10,126,235 | COc1cccc2c1C(=C1CCN(C)CC1)c1ccc(N(C)C)cc1S2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][N][=C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][S][Ring2][Ring1][Ring2] |
7,971,767 | Clc1ccc2oc(/C=C/c3cccc(Br)c3)nc2c1 | [Cl][C][=C][C][=C][O][C][Branch1][=C][/C][=C][/C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=N][C][Ring1][=C][=C][Ring2][Ring1][C] |
18,929,214 | O=C(CBr)Nc1ccc(Br)cc1C(=O)O | [O][=C][Branch1][Ring1][C][Br][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O] |
135,643,005 | N/C(=N\[N+](=O)[O-])N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 | [N][/C][=Branch1][#Branch1][=N][\N+1][=Branch1][C][=O][O-1][N][/N][=C][/C][=C][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1] |
69,998,419 | O=S(=O)(c1ccccc1)C1CS(O)(O)c2cccc(CNCCN3CCCCC3)c21 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][S][Branch1][C][O][Branch1][C][O][C][=C][C][=C][C][Branch1][=N][C][N][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][S][Ring2][Ring1][Branch1] |
119,760,449 | COc1ccc2c(c1)CCN2C(=O)CC(C)N.Cl | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Branch1][C][C][N].[Cl] |
143,140,023 | CC.N/C=c1/cccn/c1=C/N | [C][C].[N][/C][=C][/C][=C][C][=N][/C][Ring1][=Branch1][=C][/N] |
79,045,964 | CC(C)(C(O)Cc1cc(F)ccc1Br)N1CCOCC1 | [C][C][Branch1][C][C][Branch2][Ring1][C][C][Branch1][C][O][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Br][N][C][C][O][C][C][Ring1][=Branch1] |
118,349,060 | COc1cc(-c2cnc(C)n2C)ccc1Nc1ncc2cc(C)nc(N3CC(C)(C#N)C3)c2n1 | [C][O][C][=C][C][Branch1][N][C][=C][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][=C][C][=C][Ring1][=N][N][C][=N][C][=C][C][=C][Branch1][C][C][N][=C][Branch1][=C][N][C][C][Branch1][C][C][Branch1][Ring1][C][#N][C][Ring1][#Branch1][C][Ring1][=C][=N][Ring2][Ring1][C] |
160,472,464 | CC(C)(C)c1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)nc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1.CC(C)(C)c1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)nc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)n1.CC(C)(C)c1cccc(-c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)n2)c1.CC(C)(C)c1cccc(-c2nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)n2)c1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][=N][C][Branch2][Ring1][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][=C][Ring2][Ring2][#Branch2].[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][=N][C][Branch2][Ring1][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][=N][Ring2][Ring2][#Branch2].[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][Branch2][=Branch1][#Branch2][C][=C][C][Branch2][Ring1][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][=N][C][Branch2][Ring1][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][=N][Ring2][Ring2][#Branch2][=C][Ring2][Ring2][S].[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][Branch2][=Branch1][#Branch2][C][=N][C][Branch2][Ring1][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][=C][C][Branch2][Ring1][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][=N][Ring2][Ring2][#Branch2][=C][Ring2][Ring2][S] |
165,682,881 | CC(C)(N=C=O)c1cnc2n[nH]nc2c1 | [C][C][Branch1][C][C][Branch1][Ring2][N][=C][=O][C][C][=N][C][=N][NH1][N][=C][Ring1][Branch1][C][=Ring1][=Branch2] |
153,487,984 | CC(C)(C)N1C(=O)C2C3OC(C(OC(=O)C4CC4)C31)C2C(=O)OCC(F)(F)S(=O)(=O)O | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][O][C][Branch2][Ring1][Ring1][C][Branch1][O][O][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][Ring1][O][Ring1][#C][C][Ring1][=N][C][=Branch1][C][=O][O][C][C][Branch1][C][F][Branch1][C][F][S][=Branch1][C][=O][=Branch1][C][=O][O] |
105,800,533 | CC(C)C1(Cn2cncc2-c2cccc3c2NCC3)CC1 | [C][C][Branch1][C][C][C][Branch2][Ring1][=Branch1][C][N][C][=N][C][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Ring1][Branch1][C][C][Ring2][Ring1][C] |
159,189,885 | N=S(=O)(c1ccccc1)c1nc(Nc2c3c(cc4c2CCC4)CCC3)n[nH]1.O=C(N=S(=O)(c1ccccc1)c1nc(Nc2c3c(cc4c2CCC4)CCC3)n[nH]1)OCc1ccccc1 | [N][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Branch1][C][C][C][Ring1][O][=N][NH1][Ring2][Ring1][C].[O][=C][Branch2][Ring2][S][N][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch2][Ring1][=Branch1][N][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Branch1][C][C][C][Ring1][O][=N][NH1][Ring2][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
16,477,927 | CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1ccc(NC(C)=O)cc1 | [C][C][N][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][S][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] |
108,539,214 | COc1cccc(C(=O)NCCNC(=O)COc2cc(C)c(Cl)c(C)c2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][=Branch2] |
89,948,323 | CC(C)(C)c1ccc(-c2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4cccc5ccc2c3c45)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Branch1][N][C][=C][C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][=C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring2][Ring1][P][C][Ring1][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring2][=Branch2] |
110,599,736 | Cc1cc(C)cc(NC2=C(c3ccc(Cl)cc3)C(=O)N(c3ccccc3F)C2=O)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][=Branch1][N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring2][Ring1][Ring2][=O][=C][Ring2][Ring1][=N] |
81,024,762 | CC(C)NCC1CCCCC1CCC1CCCO1 | [C][C][Branch1][C][C][N][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][C][O][Ring1][Branch1] |
140,136,512 | C[S+](C)c1ccccc1OCCCBr.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F | [C][S+1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][Br].[F][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch2][=Branch1][#Branch1][B-1][Branch2][Ring1][=Branch1][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][Branch2][Ring1][=Branch1][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F][C][Branch1][C][F][=C][Ring2][Ring2][O][F] |
17,208,119 | COc1ccccc1CNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
19,074,587 | CCc1ccc(CN(C)C(=O)C(Cc2c[nH]c3ccccc23)NC(=O)CN2CC(=O)NC(Cc3ccccc3)C2=O)cc1CC | [C][C][C][=C][C][=C][Branch2][Branch1][Branch2][C][N][Branch1][C][C][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][N][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=O][C][=C][Ring2][Ring2][=Branch2][C][C] |
82,992,409 | CCc1cccnc1CNc1ccc(C(=O)NC)cc1N | [C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][Ring1][#Branch2][N] |
68,229,681 | Cc1ccc(F)cc1-c1nc([C@@H](N2C[C@@H]3C(NC[C@@H]3F)[C@H](O)C2=O)C(C)(C)C)c(Cc2ccccc2)o1 | [C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][C][Branch2][Ring1][P][C@@H1][Branch2][Ring1][Branch1][N][C][C@@H1][C][Branch1][#Branch1][N][C][C@@H1][Ring1][Branch1][F][C@H1][Branch1][C][O][C][Ring1][O][=O][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][=N] |
18,147,070 | C#Cc1cccc(NS(=O)(=O)c2ccc(OCC)c(OCC)c2)c1 | [C][#C][C][=C][C][=C][C][Branch2][Ring1][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][O][C][C][C][Branch1][Ring2][O][C][C][=C][Ring1][N][=C][Ring2][Ring1][=Branch1] |
9,976,020 | CC(C)OC(=O)Oc1cc2c(OCC(O)CNC(C)(C)C)cccc2[nH]1 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][P][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][Ring1][S][NH1][Ring2][Ring1][Ring1] |
159,568,767 | O=C(CCCCc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1)Cc1c(Cl)cccc1Cl | [O][=C][Branch2][Ring2][=C][C][C][C][C][C][=C][C][=C][Branch2][Ring1][=C][C][N][=C][N][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][=Ring1][S][C][=C][Ring2][Ring1][=Branch1][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl] |
138,584,030 | O=C(O)CCCc1ccc(CNC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)(F)F)c(Cl)c2)cc1 | [O][=C][Branch1][C][O][C][C][C][C][=C][C][=C][Branch2][Ring2][O][C][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][Branch2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=C] |
87,948,826 | CCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=C([O-])c1cccc2n[nH]nc12 | [C][C][C][C][C][C][C][C][P+1][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].[O][=C][Branch1][C][O-1][C][=C][C][=C][C][=N][NH1][N][=C][Ring1][=Branch2][Ring1][Branch1] |