CID
int64 8
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large_stringlengths 1
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|---|---|---|
169,598,964 | CC(=O)NC1C(OCC2(C)CC2(C)O)OC(COPC(C)C)C(O)C1O | [C][C][=Branch1][C][=O][N][C][C][Branch1][#C][O][C][C][Branch1][C][C][C][C][Ring1][Ring2][Branch1][C][C][O][O][C][Branch1][=Branch2][C][O][P][C][Branch1][C][C][C][C][Branch1][C][O][C][Ring2][Ring1][Branch1][O] |
126,829,437 | C[C@@H]1CN(Cc2ccc(CN(C)C(=O)c3cocn3)cc2)C[C@H](C)O1 | [C][C@@H1][C][N][Branch2][Ring1][N][C][C][=C][C][=C][Branch1][P][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][O][C][=N][Ring1][Branch1][C][=C][Ring1][S][C][C@H1][Branch1][C][C][O][Ring2][Ring1][Branch2] |
2,904,237 | COc1ccc(C=c2sc3n(c2=O)CN(c2ccc([N+](=O)[O-])cc2)CN=3)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][=C][S][C][N][Branch1][Branch1][C][Ring1][Branch1][=O][C][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][N][=Ring1][P][C][=C][Ring2][Ring1][#Branch2][O][C] |
155,830,637 | O=C(O)C(F)(F)F.c1cc2n(n1)CC(OCC1CCCC1)CN(CC1CCOCC1)C2 | [O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F].[C][C][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C][Branch1][#Branch2][O][C][C][C][C][C][C][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][C][C][O][C][C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1] |
153,598,934 | CCC(C)c1ccc2c(=[V])nc3c(SP(C)c4ccc(C#N)cc4C)n[nH]n3c2c1.[CH3-] | [C][C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][C][=V][N][=C][C][Branch2][Ring1][Ring1][S][P][Branch1][C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=N][NH1][N][Ring1][P][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2].[CH3-1] |
108,354,120 | CNc1cc([N+](=O)[O-])cc(Sc2ccccc2Br)n1 | [C][N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=N][Ring1][P] |
3,912,581 | COc1ccc(C(c2cc(C)cs2)N2CCC(C(=O)O)CC2)cc1F | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][Branch1][O][C][=C][C][Branch1][C][C][=C][S][Ring1][=Branch1][N][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch1][F] |
10,327,343 | CCCN(CCC)C(=O)c1cc(CN(Cc2cccc(C(F)(F)F)c2)C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)cc(-c2ncco2)c1.Cl | [C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][C][=C][C][Branch2][Ring2][P][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][N][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=C][C][Branch1][Branch2][C][=N][C][=C][O][Ring1][Branch1][=C][Ring2][Ring2][=Branch1].[Cl] |
45,248,504 | Cc1nn(C)cc1CN(C)C(=O)CC1C(=O)NCCN1Cc1ccc2ccccc2c1 | [C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][N][Ring1][#Branch1][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
126,057,585 | Cc1ccc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)s1 | [C][C][=C][C][=C][Branch2][Ring1][=N][/C][=C][\S][C][=Branch1][C][=O][N][Branch1][#C][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][S][=O][S][Ring2][Ring1][#Branch1] |
100,336,938 | CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cc(C)c(Cl)c(C)c1 | [C][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][=Branch2] |
55,355,461 | C=CCN1C(=O)C(CC(=O)Nc2cc(C)ccc2C)SC1=Nc1ccc(OC)cc1 | [C][=C][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][S][C][Ring2][Ring1][C][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] |
46,543,504 | O=C(NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)C1Cc2cc(Cl)ccc2O1 | [O][=C][Branch2][Ring1][O][N][C][C][N][C][=Branch1][C][=O][S][/C][=Branch1][O][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring1][=C][=O][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2] |
95,822,686 | c1ccc(Nc2cc(C[C@H]3CCCN(c4ncccn4)C3)ncn2)nc1 | [C][=C][C][=C][Branch2][Ring1][P][N][C][=C][C][Branch2][Ring1][Ring2][C][C@H1][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N][=N][C][=N][Ring2][Ring1][Ring1][N][=C][Ring2][Ring1][#Branch2] |
21,754,834 | CC1=CCCC(=O)CC1(C)C | [C][C][=C][C][C][C][=Branch1][C][=O][C][C][Ring1][Branch2][Branch1][C][C][C] |
134,341,115 | COc1cc(Oc2ccccc2)nc(N2Cc3ccccc3S2=O)n1 | [C][O][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][#C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=O][=N][Ring2][Ring1][#Branch1] |
7,563,678 | O=C(COc1ccccc1)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 | [O][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C@H1][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N] |
8,574,898 | C=CCn1c(SCC(=O)NCC(=O)NCC)nc2sc3c(c2c1=O)CCCC3 | [C][=C][C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=N][C][S][C][=C][Branch1][=Branch2][C][=Ring1][Branch1][C][Ring2][Ring1][Ring2][=O][C][C][C][C][Ring1][=Branch2] |
54,803,688 | CCCCCCCOc1ccc(C(C)NCc2ccccc2C)cc1 | [C][C][C][C][C][C][C][O][C][=C][C][=C][Branch1][S][C][Branch1][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][P] |
140,037,586 | Oc1c(C(F)(F)F)cc(C(O)C(O)c2cc(C(F)(F)F)c(O)c(C(F)(F)F)c2)cc1C(F)(F)F | [O][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Branch2][Ring2][Branch2][C][Branch1][C][O][C][Branch1][C][O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#C][C][=C][Ring2][Ring1][=N][C][Branch1][C][F][Branch1][C][F][F] |
115,887,923 | CCC(C)CNCCc1nc(C)c(C)s1 | [C][C][C][Branch1][C][C][C][N][C][C][C][=N][C][Branch1][C][C][=C][Branch1][C][C][S][Ring1][#Branch1] |
62,442,199 | CCCNCc1ccc(OCCOC2CCC2)cc1 | [C][C][C][N][C][C][=C][C][=C][Branch1][O][O][C][C][O][C][C][C][C][Ring1][Ring2][C][=C][Ring1][=C] |
709,456 | C[C@H]1CCc2c(sc(NC(=O)c3ccccc3)c2C(=O)O)C1 | [C][C@H1][C][C][C][=C][Branch2][Ring1][#Branch2][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][C][=Branch1][C][=O][O][C][Ring2][Ring1][Branch1] |
21,916,964 | CNC(=O)NCCc1csc2ccc(O)cc12 | [C][N][C][=Branch1][C][=O][N][C][C][C][=C][S][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch2][Ring1][#Branch1] |
172,300,068 | O=C1NCCn2cc(-c3ccncc3OCc3cnc4n3CCC4)c(Nc3ccccc3)c21 | [O][=C][N][C][C][N][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][C][=C][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][N][Ring2][Ring1][S] |
7,881,801 | CCOc1ccc(C(=O)[C@@H](C)OC(=O)CNC(=O)c2ccc3ccccc3c2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][O] |
136,813,997 | Clc1cccc(Cl)c1[C@H]1C[C@@H](c2ccc(Br)cc2)Nc2ncnn21 | [Cl][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C@H1][C][C@@H1][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=N][C][=N][N][Ring1][Branch1][Ring1][S] |
113,045,331 | COc1cccc(C(=O)Nc2ccc(N3CCCCCC3)nn2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][N][=N][Ring1][=N][=C][Ring2][Ring1][=Branch1] |
131,759,497 | CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC | [C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C@@H1][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][C][C][C][C] |
142,674,259 | Cc1cc2nn(C)nc2cc1N(S(=O)(=O)c1cccc(Cl)c1C)S(=O)(=O)c1cccc(Cl)c1C | [C][C][=C][C][=N][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C] |
41,670,264 | Cc1ccc(CC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#C][C][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C@][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O][C][=C][Ring2][Ring1][Branch2] |
78,983,277 | O=C1CC(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CN1 | [O][=C][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][N][Ring2][Ring1][Ring1] |
19,064,594 | CC(C)Sc1cccc(NC(=O)Nc2ccc3scc(C4CCN(C(C)C)CC4)c3c2)c1 | [C][C][Branch1][C][C][S][C][=C][C][=C][C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][S][C][=C][Branch1][S][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2][C][Ring1][=C][=C][Ring2][Ring1][C][=C][Ring2][Ring1][N] |
164,334,387 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCC/C=C\C/C=C\CCCC | [C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][Branch1][Ring1][C][O][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][/C][=C][\C][/C][=C][\C][C][C][C] |
5,475,359 | CCNC(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)C(C)(O/C=C/C(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)/C=C/C=C(C)C(=O)N2)O4 | [C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][Branch1][C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=N][Ring1][Branch2][C][=Branch1][C][=O][C][Branch1][C][C][Branch2][Branch1][=Branch2][O][/C][=C][/C][Branch1][Ring1][O][C][C][Branch1][C][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][C][/C][=C][/C][=C][Branch1][C][C][C][=Branch1][C][=O][N][Ring2][Ring2][=C][O][Ring2][Ring2][#Branch1] |
159,677,756 | C=C(C)C(=O)OCCOCCOCCOc1ccccc1.C=C(C)C(=O)OCCOCCOc1ccccc1.C=C(C)C(=O)OCCOc1ccccc1 | [C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][O][C][C][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1].[C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1].[C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
137,159,982 | Oc1c(C=NCCN=Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2O)cc(C(F)(F)F)cc1C(F)(F)F | [O][C][=C][Branch2][Ring2][Ring2][C][=N][C][C][N][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][O][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][#C][C][Branch1][C][F][Branch1][C][F][F] |
111,771,490 | CN=C(NCc1nccn1CC(C)C)NCC1(N2CCOCC2)CCCCC1 | [C][N][=C][Branch1][S][N][C][C][=N][C][=C][N][Ring1][Branch1][C][C][Branch1][C][C][C][N][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][C][Ring1][N] |
89,359,613 | CC/C=C\C(C)[C@H](OC(N)=O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)/C=C\C(O)CC(O)[C@H](C)C(OC)C(C)C(=O)NOC | [C][C][/C][=C][\C][Branch1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][C@H1][Branch1][P][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][C][/C][Branch1][C][C][=C][\C@H1][Branch1][C][C][C@@H1][Branch1][P][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][/C][=C][\C][Branch1][C][O][C][C][Branch1][C][O][C@H1][Branch1][C][C][C][Branch1][Ring1][O][C][C][Branch1][C][C][C][=Branch1][C][=O][N][O][C] |
68,418,053 | CCCc1c(C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)OC)cnn1-c1ccccc1 | [C][C][C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=N][N][Ring2][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
60,708,046 | O=C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CCN1 | [O][=C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][N][Ring1][P] |
46,087,628 | CCCCCN(C)Cc1ccc(C(=O)N2C3CCC2CC(Oc2ccc(C(=O)OCC)cc2)C3)cc1 | [C][C][C][C][C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Branch2][Ring1][Ring1][O][C][=C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][=C][Ring1][O][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][N] |
54,494,560 | O=C(O)C1CNCC1c1cccc2occc12 | [O][=C][Branch1][C][O][C][C][N][C][C][Ring1][Branch1][C][=C][C][=C][C][O][C][=C][C][Ring1][=Branch2][=Ring1][Branch1] |
103,700,919 | COc1ccc(CNC(CCO)C(C)C)cc1 | [C][O][C][=C][C][=C][Branch1][=C][C][N][C][Branch1][Ring2][C][C][O][C][Branch1][C][C][C][C][=C][Ring1][#C] |
143,112,390 | Cc1cc(C)cc(C[C@@H](OC(=O)N2CCC(C)CC2)C(=O)N2CCN(C3CCN(C)CC3)CC2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][=C][C][C@@H1][Branch1][P][O][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][C][Ring1][=N][=C][Ring2][Ring2][C] |
130,425,139 | C=Cc1ccc(C(=C)/C=C(C)\C(F)=C(C)/C=C/C)cc1C | [C][=C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=C][/C][=C][Branch1][C][C][\C][Branch1][C][F][=C][Branch1][C][C][/C][=C][/C][C][=C][Ring2][Ring1][C][C] |
62,313,881 | CCNc1ccc(C(=O)NCc2cccc(C#N)c2)cc1 | [C][C][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C] |
114,921,596 | CCCNc1cc(C(=O)Nc2ncccn2)c(Cl)cn1 | [C][C][C][N][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=N][Ring1][=Branch1][=C][Branch1][C][Cl][C][=N][Ring1][S] |
69,050,488 | CC[C@H](NC(C)=O)c1cc(C)c(Cl)cc1C1CCN(C(=O)[C@H]2CC(N3C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]3C(=O)O)C[C@@H]2c2ccc(F)cc2F)CC1 | [C][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][C][C][N][Branch2][Branch1][#Branch2][C][=Branch1][C][=O][C@H1][C][C][Branch2][Ring1][#C][N][C][C@H1][Branch1][P][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][C@@H1][Ring1][=N][C][=Branch1][C][=O][O][C][C@@H1][Ring2][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][Ring2][Ring2][Branch1] |
156,984,791 | CCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C=C\[C@H](O)CCCCC)COP(=O)(O)OC[C@H](N)C(=O)O | [C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C@H1][Branch2][Ring1][=N][C][O][C][=Branch1][C][=O][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][=C][\C@H1][Branch1][C][O][C][C][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O] |
29,330,344 | O=C(CCc1nc2ccccc2s1)Nc1cnc2ccccc2c1 | [O][=C][Branch1][S][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
80,804,136 | CCNc1ncc(F)c(NC(C)Cc2ccco2)n1 | [C][C][N][C][=N][C][=C][Branch1][C][F][C][Branch1][=C][N][C][Branch1][C][C][C][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][S] |
160,138,711 | C.CC(C)c1cc(-c2nnc(C(=O)NCCCCCSN)n2-c2ccc(CN3CCOCC3)cc2)c(O)cc1O.O.O | [C].[C][C][Branch1][C][C][C][=C][C][Branch2][Ring2][=Branch2][C][=N][N][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][S][N][N][Ring1][#C][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=N][=C][Branch1][C][O][C][=C][Ring2][Ring2][Ring1][O].[O].[O] |
9,659,256 | CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1C | [C][C][O][C][=C][C][Branch2][Ring1][=Branch1][/C][=N][/N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][C][=C][Ring2][Ring1][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C] |
172,274,635 | CC1(NS(=O)(=O)c2cc(N3CCN4C(=O)CCC[C@H]4C3)c3cnc(-c4nnc(C(F)F)s4)n3c2)CC1 | [C][C][Branch2][Branch1][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][Branch2][Ring1][C][N][C][C][N][C][=Branch1][C][=O][C][C][C][C@H1][Ring1][#Branch1][C][Ring1][O][C][=C][N][=C][Branch1][#C][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][F][F][S][Ring1][Branch2][N][Ring1][=N][C][=Ring2][Ring1][N][C][C][Ring2][Ring2][Ring1] |
11,969,195 | CCCCCC1(CCCCC)O[C@@H]2[C@H](O1)[C@H]1ON(Cc3ccccc3C=CC(=O)N(C)C)[C@H]3C(=O)O[C@@H]2C[C@@]13C(=O)N1CCC[C@@H]1C(=O)N[C@H](CO)CCC(=O)OC(C)(C)C | [C][C][C][C][C][C][Branch1][=Branch1][C][C][C][C][C][O][C@@H1][C@H1][Branch1][Ring2][O][Ring1][#Branch2][C@H1][O][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][C@H1][C][=Branch1][C][=O][O][C@@H1][Ring2][Ring1][=Branch2][C][C@@][Ring2][Ring1][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][O][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
113,630,047 | CN(C)c1nc(NN)nc(NCC2(CCO)CC2)n1 | [C][N][Branch1][C][C][C][=N][C][Branch1][Ring1][N][N][=N][C][Branch1][=N][N][C][C][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][S] |
65,330,046 | Cc1sc(N)c(-c2nc(C3CCOC3)no2)c1C | [C][C][S][C][Branch1][C][N][=C][Branch1][P][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=N][O][Ring1][#Branch2][C][=Ring1][S][C] |
166,396,019 | Cc1[nH]nc2ncc(CN[C@@H](C)c3ccc(Br)cc3)cc12.O=C(O)C(F)(F)F | [C][C][NH1][N][=C][N][=C][C][Branch2][Ring1][C][C][N][C@@H1][Branch1][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][C][=Ring2][Ring1][Ring2][Ring1][P].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
91,511,696 | CCCn1c(=O)c2[nH]c(C3CC4CCC(C3)C4NCCNS(=O)(=O)c3cccc4c(N(C)C)cccc34)nc2n(CCC)c1=O | [C][C][C][N][C][=Branch1][C][=O][C][NH1][C][Branch2][Ring2][#C][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][=Branch1][N][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][C][=C][Ring1][=N][Ring1][=Branch2][=N][C][=Ring2][Ring1][P][N][Branch1][Ring2][C][C][C][C][Ring2][Ring2][=Branch2][=O] |
61,664,773 | CC(C)CN(CCC(N)=S)C(=O)c1cc(F)cc(F)c1 | [C][C][Branch1][C][C][C][N][Branch1][Branch2][C][C][C][Branch1][C][N][=S][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] |
106,438,092 | CSC(C)(C)CNCC(C)=CCl | [C][S][C][Branch1][C][C][Branch1][C][C][C][N][C][C][Branch1][C][C][=C][Cl] |
126,672,215 | C[C@@](C#N)(c1cc(-n2ccc(C3CCOCC3)n2)c2c(n1)CNC2=O)C1CC1 | [C][C@@][Branch1][Ring1][C][#N][Branch2][Ring2][Branch1][C][=C][C][Branch2][Ring1][C][N][C][=C][C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][O][=C][C][=Branch1][Ring2][=N][Ring1][P][C][N][C][Ring1][=Branch1][=O][C][C][C][Ring1][Ring1] |
84,426,525 | CC(C)CCNC(=O)CN1C(=O)S/C(=C/c2ccccc2)C1=O | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][S][/C][=Branch1][#Branch2][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O] |
71,512,014 | O=C1C(=O)N(CCCn2ccnc2)C(c2ccc(Br)cc2)/C1=C(\O)c1ccc(I)cc1 | [O][=C][C][=Branch1][C][=O][N][Branch1][O][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][/C][Ring2][Ring1][Branch1][=C][Branch1][C][\O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1] |
129,190,524 | CCCCCCCCCCSC1=C(S(CCCCCCCCCC)(CCCCCCCCCC)(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC)SC(=C2SC(S(#N)=NN=NN=NN=NN=NN=NN=NN=NN=NN=NC)=C(S(#N)=NN=NN=NN=NN=NN=NN=NN=NN=NN=NC)S2)S1 | [C][C][C][C][C][C][C][C][C][C][S][C][=C][Branch2][#Branch1][Ring2][S][Branch1][O][C][C][C][C][C][C][C][C][C][C][Branch1][O][C][C][C][C][C][C][C][C][C][C][Branch1][O][C][C][C][C][C][C][C][C][C][C][Branch1][O][C][C][C][C][C][C][C][C][C][C][C][Branch1][#Branch2][C][C][C][C][C][C][C][C][C][Branch1][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][S][C][=Branch2][Branch1][#C][=C][S][C][Branch2][Ring1][=Branch2][S][#Branch1][C][#N][=N][N][=N][N][=N][N][=N][N][=N][N][=N][N][=N][N][=N][N][=N][N][=N][C][=C][Branch2][Ring1][=Branch2][S][#Branch1][C][#N][=N][N][=N][N][=N][N][=N][N][=N][N][=N][N][=N][N][=N][N][=N][N][=N][C][S][Ring2][Ring2][P][S][Ring2][=Branch2][=N] |
144,234,964 | C=C(O)CCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCC(=O)NC1C(O)CC(OPOC[C@H]2O[C@@H](n3ccc(N)nc3=O)C(O)C2O)(C(=O)O)OC1[C@H](O)C(O)CO)C(=C)O | [C][=C][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch2][=Branch1][O][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][Branch2][Ring1][=C][O][P][O][C][C@H1][O][C@@H1][Branch1][=N][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C][Branch1][C][O][C][Ring1][=C][O][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C][Ring2][Ring1][=N][C@H1][Branch1][C][O][C][Branch1][C][O][C][O][C][=Branch1][C][=C][O] |
139,980,847 | CC(COc1ccc(CN2CCC(C(O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)cc1)OS(C)(=O)=O | [C][C][Branch2][=Branch1][=Branch2][C][O][C][=C][C][=C][Branch2][Branch1][O][C][N][C][C][C][Branch2][Ring2][=C][C][Branch1][C][O][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][C][Ring2][Ring1][=C][C][=C][Ring2][Ring2][Branch1][O][S][Branch1][C][C][=Branch1][C][=O][=O] |
121,935,012 | Cc1nc(N2CCN(C(=O)c3cnc(C(=O)O)cn3)CC2)sc1C | [C][C][N][=C][Branch2][Ring1][#C][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=N][Ring1][=Branch2][C][C][Ring1][P][S][C][=Ring2][Ring1][=Branch1][C] |
1,733,417 | Cc1ccc(C2=N/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)O2)cc1[N+](=O)[O-] | [C][C][=C][C][=C][Branch2][Ring2][Ring2][C][=N][/C][=Branch2][Ring1][=Branch1][=C][\C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=Branch1][C][=O][O][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O][N+1][=Branch1][C][=O][O-1] |
109,710,226 | CCNC(=NCc1ccc(C)cc1OC)NCCn1c(C)nc2ccccc21.I | [C][C][N][C][=Branch1][S][=N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][C][N][C][C][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2].[I] |
23,395,464 | CNC(=O)C(C(C)C)N1CCC(C2C=CC=CC2)CC(NC(=O)C(Br)CCCCN2C(=O)c3ccccc3C2=O)C1=O | [C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][C][C][Branch1][=Branch2][C][C][=C][C][=C][C][Ring1][=Branch1][C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][Branch1][C][Br][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][Ring2][Ring1][P][=O] |
84,273,145 | CCCCOC(=O)c1cccc(NC(=O)C(C)(C)Cc2ccccc2)c1 | [C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] |
87,996,988 | CCCS1=[C-]C([Si](C)(C)C2=C3C=CC=C3S(CCC)=[C-]2)=C2C=CC=C21.Cl.Cl.[Zr].[Zr] | [C][C][C][S][=C-1][C][Branch2][Ring1][=Branch2][Si][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][Branch1][S][Branch1][Ring2][C][C][C][=C-1][Ring1][O][=C][C][=C][C][=C][Ring1][Branch1][Ring2][Ring1][=Branch1].[Cl].[Cl].[Zr].[Zr] |
2,718,956 | CCOc1ccc2nc(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)sc2c1 | [C][C][O][C][=C][C][=C][N][=C][Branch2][Ring1][=N][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][S][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2] |
52,511,315 | N#Cc1cccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCCCC3)C2)c1 | [N][#C][C][=C][C][=C][C][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][#C][=C][Ring2][Ring1][Branch2] |
164,240,153 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCC)OC(=O)CCCCCCCCCC/C=C\C/C=C\C/C=C\CCCCCCC | [C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][Ring1][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][/C][=C][\C][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][C][C][C] |
62,432,287 | CCNCc1cccc(OCCN(C)C(CC)CC)c1 | [C][C][N][C][C][=C][C][=C][C][Branch1][#C][O][C][C][N][Branch1][C][C][C][Branch1][Ring1][C][C][C][C][=C][Ring1][S] |
109,776,114 | CCNC(=NCC1(CCOC)CCCC1)NCCc1ccc(Br)o1 | [C][C][N][C][=Branch1][S][=N][C][C][Branch1][Branch1][C][C][O][C][C][C][C][C][Ring1][=Branch2][N][C][C][C][=C][C][=C][Branch1][C][Br][O][Ring1][=Branch1] |
137,395,742 | CNc1ccc(-n2cnc3cc(OCC4CCCCO4)ccc32)cc1 | [C][N][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=N][C][=C][C][Branch1][O][O][C][C][C][C][C][C][O][Ring1][=Branch1][=C][C][=C][Ring1][=C][Ring1][P][C][=C][Ring2][Ring1][#Branch1] |
103,196,167 | CCNCCN1CCCC(C(=O)NC)C1 | [C][C][N][C][C][N][C][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][Ring1][#Branch2] |
40,067,440 | COCCNC(=O)CN(CC(=O)NCCOC)Cc1ccc(C)cc1 | [C][O][C][C][N][C][=Branch1][C][=O][C][N][Branch1][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] |
111,843,511 | CN=C(NCc1ccc2c(c1)OCO2)NCc1nc(C)no1.I | [C][N][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1].[I] |
58,985,862 | COC(=O)c1cc(Br)c(N)c2c1OCCC2 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][Branch1][C][N][C][=C][Ring1][Branch2][O][C][C][C][Ring1][=Branch1] |
111,058,550 | CCC(C)NC(=O)c1cccc(CN=C(N)NCCCN2CCOCC2)c1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][N][=C][Branch1][C][N][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] |
145,043,286 | CC(=O)Nc1cc(Nc2nc(-c3nn(Cc4c(F)cc(O)cc4F)c4ccccc34)nc3c2CC(C)(C)CC3)ccn1 | [C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Branch1][#Branch2][N][C][=N][C][Branch2][Ring1][P][C][=N][N][Branch1][P][C][C][=C][Branch1][C][F][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][F][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1][=N][C][=C][Ring2][Ring1][=Branch2][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][=C][C][=N][Ring2][Ring2][=Branch1] |
9,015,753 | CC(=O)Nc1ccc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch2] |
71,697,067 | COC(=O)C(c1ccc(Cl)cc1Cl)P(=O)(Oc1ccccc1)Oc1ccccc1 | [C][O][C][=Branch1][C][=O][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][P][=Branch1][C][=O][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
63,211,370 | CN(CCN1CCCC1)C(=O)C1(C#N)CCCC1 | [C][N][Branch1][#Branch2][C][C][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][C][C][Ring1][#Branch1] |
38,014,073 | Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4cc5c(cc4Br)OCCO5)cc3)o2)c1 | [C][C][=C][C][=C][C][Branch2][Ring2][=C][C][=N][N][=C][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Br][O][C][C][O][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2][O][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][#C] |
108,027,366 | CCNCCCNCc1cccc(C)c1I | [C][C][N][C][C][C][N][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][I] |
157,946,143 | C.CC(=O)c1ccc(C)c2c1CCC2.Cc1cc[c-]c2c1C(=O)CC2.Cc1cc[c-]c2c1CCC2.I.I[V]I.[Y].[Y] | [C].[C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][C][Ring1][Branch1].[C][C][=C][C][=C-1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Ring1][=Branch1].[C][C][=C][C][=C-1][C][=C][Ring1][=Branch1][C][C][C][Ring1][Branch1].[I].[I][V][I].[Y].[Y] |
165,833,134 | COC(C(=O)O)C(C)(C)C1CCOCC1 | [C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][O][C][C][Ring1][=Branch1] |
65,862,750 | Cc1nc(CC2(N)CCCOC2)cs1 | [C][C][=N][C][Branch1][=N][C][C][Branch1][C][N][C][C][C][O][C][Ring1][#Branch1][=C][S][Ring1][=N] |
80,529,141 | CNC(c1sccc1Cl)C1CC2CC2C1 | [C][N][C][Branch1][=Branch2][C][S][C][=C][C][=Ring1][Branch1][Cl][C][C][C][C][C][Ring1][Ring1][C][Ring1][=Branch1] |
21,305,937 | C=C(C)OCOCCCCCCOC(=O)c1ccc(O)c(Cl)c1 | [C][=C][Branch1][C][C][O][C][O][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][Branch2] |
100,284,263 | COC(=O)c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)o2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][=Branch2][C@H1][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=Branch1][C][=S][N][Ring1][N][C][C][C][O][O][Ring2][Ring1][Branch1][=C][Ring2][Ring1][O] |
57,861,757 | COCCN1CCN(c2cccc(C(=O)Nc3ccc(-n4nc(C5CCOCC5)cc4C(F)(F)F)cn3)c2)CC1 | [C][O][C][C][N][C][C][N][Branch2][Branch1][#Branch1][C][=C][C][=C][C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch2][N][N][=C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][O][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=C][C][C][Ring2][Ring2][Ring2] |
172,114,491 | [2H]c1cc2cc(CCC(F)(F)F)cc3c2c([n+]1C)C(c1cc(C)cc(C)c1C)=C3CC(C)C | [2H][C][=C][C][=C][C][Branch1][O][C][C][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][N][C][=Branch1][Branch1][=N+1][Ring1][S][C][C][Branch1][S][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][Ring1][S][C][C][Branch1][C][C][C] |
82,359,394 | CCCCNC(=O)Cn1c(NC)nc2ccccc21 | [C][C][C][C][N][C][=Branch1][C][=O][C][N][C][Branch1][Ring1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] |
Subsets and Splits