ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
6617 | Cc1cccc(C)c1OCC(=O)Nc1c[nH]c(=O)[nH]c1=O | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O] | Cc1cccc(C)c14.c15c[nH]c(=O)[nH]c1=O.C3C2=O.O34.N25 |
6618 | Cc1snnc1C(=O)Oc1ccccc1-c1nnco1 | [C][C][S][N][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][O][Ring1][Branch1] | c13ccccc15.Cc1snnc14.c15nnco1.C24=O.O23 |
6619 | CC(=O)OCCn1c(=O)c2ccccc2c2ccccc2c1=O | [C][C][=Branch1][C][=O][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O] | n15c(=O)c2ccccc2c2ccccc2c1=O.CC3=O.C4C5.O34 |
6620 | CCC(=O)OCCn1c(=O)c2ccccc2c2ccccc2c1=O | [C][C][C][=Branch1][C][=O][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O] | n15c(=O)c2ccccc2c2ccccc2c1=O.CCC3=O.C4C5.O34 |
6621 | O=C(CCc1ccccc1)Nc1c[nH]c(=O)[nH]c1=O | [O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O] | c13c[nH]c(=O)[nH]c1=O.c14ccccc1.O=C2CC4.N23 |
6622 | O=c1c2ccccc2c2ccccc2c(=O)n1Cc1cccnc1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][S][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | O=c1c2ccccc2c2ccccc2c(=O)n13.c14cccnc1.C34 |
6623 | O=c1c2ccccc2c2ccccc2c(=O)n1CC1CCCO1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][S][C][C][C][C][C][O][Ring1][Branch1] | O=c1c2ccccc2c2ccccc2c(=O)n13.C14CCCO1.C34 |
6624 | Nn1cnn2c(SCc3ccccc3Cl)nnc12 | [N][N][C][=N][N][C][Branch1][N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][N][=C][Ring1][P][Ring1][=C] | Nn1cnn2c6nnc12.c15ccccc1Cl.S46.C45 |
6626 | Cc1cccc(C)c1-n1nnnc1S(C)(=O)=O | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][N][=N][N][=C][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O] | n12nnnc1S(C)(=O)=O.Cc1cccc(C)c12 |
6627 | O=C(Cc1cc(F)cc(F)c1)Nc1ccc(F)cc1 | [O][=C][Branch1][S][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14cc(F)cc(F)c1.c13ccc(F)cc1.O=C2C4.N23 |
6628 | COc1ccc(NC(=O)Cc2cc(F)cc(F)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C] | c16cc(F)cc(F)c1.c14ccc5cc1.C3(=O)C6.CO4.N35 |
6629 | CN(C)c1nc(N)nc(Cn2nnc(-c3ccccc3Cl)n2)n1 | [C][N][Branch1][C][C][C][=N][C][Branch1][C][N][=N][C][Branch2][Ring1][Ring2][C][N][N][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring1][N][=N][Ring2][Ring1][Ring2] | c14nc6nc(N)n1.c17ccccc1Cl.n15nnc7n1.CN4C.C56 |
6630 | Cc1cc(NC(=O)Cc2cc(F)cc(F)c2)no1 | [C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=N][O][Ring1][P] | c15cc(F)cc(F)c1.Cc1cc4no1.C3(=O)C5.N34 |
6631 | Cc1nnsc1C(=O)OCc1cc(F)cc(F)c1 | [C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][O][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | c15cc(F)cc(F)c1.Cc1nnsc14.C24=O.O23.C35 |
6632 | Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cccnc1 | [C][N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][N][=C][Ring1][P][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cn1c6nnc17.c15ccccc1F.c17cccnc1.C4C3=O.S46.N35 |
6633 | Cn1nnnc1SCC(=O)Nc1ccc(F)cc1F | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c14ccc(F)cc1F.Cn1nnnc15.C3C2=O.S35.N24 |
6634 | Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cccnc1 | [C][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][N][=C][Ring1][P][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cn1c6nnc17.c15cccc(F)c1.c17cccnc1.C4C3=O.S46.N35 |
6635 | Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc(CC#N)cc1 | [C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring2][C][C][#N][C][=C][Ring1][=Branch2] | Cc1cc5nn14.c13ccc6cc1.C5(F)(F)F.C4C2=O.C6C#N.N23 |
6636 | OC(COc1ccc2ccccc2c1Cl)Cn1ccnc1 | [O][C][Branch2][Ring1][C][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][Cl][C][N][C][=C][N][=C][Ring1][Branch1] | c14ccc2ccccc2c1Cl.OC(C3)C5.n15ccnc1.O34 |
6637 | CCOC(=O)c1c(C)nn(-c2ncccc2N)c1C | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][N][C][=Ring1][=N][C] | c15c(C)nn6c1C.c16ncccc1N.C35=O.CC4.O34 |
6638 | O=S(=O)(Cc1cc(F)cc(F)c1)c1ccc(Cl)cc1 | [O][=S][=Branch1][C][=O][Branch1][S][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=S(=O)(C2)c1ccc(Cl)cc1.c12cc(F)cc(F)c1 |
6639 | CCOC(=O)c1c(C)nn(-c2ncccc2NC(=O)NC(C)C)c1C | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch2][Ring1][Ring2][C][=N][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=Ring2][Ring1][Ring1][C] | c19c(C)nn%10c1C.c1%10ncccc18.C39=O.C45=O.C7(C)C.CC6.O36.N48.N57 |
6640 | CC(C)=CCCC1(C)OC(=O)N(CCCn2ccnc2C)C1(C)O | [C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][C][Ring1][S][Branch1][C][C][O] | C16(C)OC(=O)N5C1(C)O.n14ccnc1C.C=3CC6.C5CC4.CC=3C |
6641 | CC(C)(C)Nc1nc(-n2ccnc2)nc(-n2ccnc2)n1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=N][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=N][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=N][Ring1][S] | c14nc5nc6n1.n15ccnc1.n16ccnc1.CC3(C)C.N34 |
6642 | Cc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][#C][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc5c(C)c1.N15CCN4CC1.c16ccccc1F.C46=O |
6643 | N#Cc1cnn2c(-c3cccc(C(F)(F)F)c3)ccnc12 | [N][#C][C][C][=N][N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][C][=N][C][=Ring2][Ring1][Ring1][Ring1][S] | N#Cc1cnn2c5ccnc12.c15cccc4c1.C4(F)(F)F |
6644 | CCc1ccc(C)nc1NC(=O)c1snnc1C | [C][C][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][N][=N][C][=Ring1][Branch1][C] | c15ccc(C)nc13.c14snnc1C.C24=O.CC5.N23 |
6645 | Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC(C)C | [C][C][O][N][=C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Ring1][=N][C][=Branch1][C][=O][N][C][Branch1][C][C][C] | c16c(Cl)cccc1Cl.Cc1onc6c15.C35=O.C4(C)C.N34 |
6646 | Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccncc1 | [C][C][O][N][=C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1] | c16c(Cl)cccc1Cl.Cc1onc6c15.c14ccncc1.C35=O.N34 |
6647 | COC(=O)c1cc(=O)c2cc(C(F)(F)F)ccc2[nH]1 | [C][O][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][NH1][Ring1][#C] | c14cc(=O)c2cc5ccc2[nH]1.C5(F)(F)F.C34=O.CO3 |
6648 | N#Cc1nnn(-c2nc(N3CCCC3)nc(N3CCCC3)n2)c1N | [N][#C][C][N][=N][N][Branch2][Ring1][O][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring1][S][C][=Ring2][Ring1][Branch1][N] | N#Cc1nnn6c1N.c16nc4nc5n1.N14CCCC1.N15CCCC1 |
6649 | Cc1cc(C)n2nc(S(=O)(=O)N(CC(C)C)CC(C)C)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][C][Branch1][C][C][C][N][=C][Ring1][P][N][=Ring2][Ring1][=Branch1] | Cc1cc(C)n2nc(S5(=O)=O)nc2n1.C3C(C)C.C4C(C)C.N345 |
6651 | Cc1cc(C)n2nc(S(=O)(=O)N(C)CCO)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][O][N][=C][Ring1][=N][N][=Ring2][Ring1][C] | Cc1cc(C)n2nc(S4(=O)=O)nc2n1.N34C.C3CO |
6654 | COC(=O)c1ccccc1-n1cccc1C(=O)OC | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][O][C] | c15ccccc16.n16cccc14.C25=O.C34=O.CO2.O3C |
6655 | CCOC(=O)c1ccc(-n2nc(C)c(C(=O)OCC)c2C)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][N][=C][Branch1][C][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Ring1][O][C][C][=C][Ring2][Ring1][C] | n19nc(C)c8c1C.c17ccc9cc1.C37=O.C48=O.CC5.O35.O46.C6C |
6657 | COc1ccc(NS(=O)(=O)Cc2ccccc2Cl)cn1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=N][Ring2][Ring1][C] | c13ccc5cn1.c16ccccc1Cl.S4(=O)(=O)C6.CO3.N45 |
6658 | O=C1CC(c2ccc(S(=O)(=O)NC3CC3)cc2)CN1 | [O][=C][C][C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][=N][C][N][Ring2][Ring1][C] | c16ccc(S4(=O)=O)cc1.O=C1CC6CN1.C15CC1.N45 |
6659 | O=C1CC(c2ccc(S(=O)(=O)NCc3ccco3)cc2)CN1 | [O][=C][C][C][Branch2][Ring1][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][S][C][N][Ring2][Ring1][Branch1] | c17ccc(S5(=O)=O)cc1.O=C1CC7CN1.c16ccco1.N45.C46 |
6660 | CCOc1ccc(CC(=O)C2C(=N)CC(C)(C)CC2=O)cc1OCC | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][C][C][=Branch1][C][=N][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=Branch2][=O][C][=C][Ring2][Ring1][Ring1][O][C][C] | C17C(=N)CC(C)(C)CC1=O.c15ccc8cc16.C8C7=O.CC3.O35.O46.C4C |
6661 | Cn1nc(CC(=O)Nc2cccc(O)c2)c2ccccc2c1=O | [C][N][N][=C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O] | Cn1nc5c2ccccc2c1=O.c14cccc(O)c1.C5C3=O.N34 |
6663 | Cc1cc(S(=O)(=O)N2CCOCC2)c(C)s1 | [C][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][C][C][S][Ring1][#C] | Cc1cc(S3(=O)=O)c(C)s1.N13CCOCC1 |
6664 | COc1ccccc1-c1nc(CSc2ccccc2N)no1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][N][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][O][Ring1][=C] | c13ccccc17.c16ccccc1N.c17nc5no1.CO3.C45.S46 |
6665 | O=C(c1ccc(-c2ccccc2F)cc1)N1CCOCC1 | [O][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][=N][N][C][C][O][C][C][Ring1][=Branch1] | c14ccc5cc1.c15ccccc1F.N13CCOCC1.O=C34 |
6667 | O=C1NCCN1CCNS(=O)(=O)c1ccc(F)cc1 | [O][=C][N][C][C][N][Ring1][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1ccc(F)cc1.O=C1NCCN14.C4C2.N23 |
6668 | COC(=O)Cc1nc(-c2ccc(F)cc2)sc1C | [C][O][C][=Branch1][C][=O][C][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][C][=Ring1][N][C] | c14nc5sc1C.c15ccc(F)cc1.C3(=O)C4.CO3 |
6669 | COC(=O)Cc1nc(Nc2ccccc2)sc1C | [C][O][C][=Branch1][C][=O][C][C][N][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][N][C] | c16nc4sc1C.c15ccccc1.C3(=O)C6.CO3.N45 |
6670 | COC(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1 | [C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O][C][C][Ring1][P] | N15CCN6CC1.c16nc7cs1.c17ccccc1.C45=O.CO4 |
6671 | COc1cc(NC(=O)c2cccnc2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C] | c14cc7cc5c16.c18cccnc1.C38=O.CO4.N37.O5C.O6C |
6672 | CCn1c(=O)n(CC)c2cc(S(=O)(=O)N3CCOCC3)ccc21 | [C][C][N][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][Branch1] | n15c(=O)n6c2cc(S4(=O)=O)ccc21.N14CCOCC1.CC5.C6C |
6673 | CCn1c(=O)n(CC)c2cc(S(N)(=O)=O)ccc21 | [C][C][N][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][Ring1][S] | n13c(=O)n4c2cc(S(N)(=O)=O)ccc21.CC3.C4C |
6674 | Cc1noc(C)c1C(=O)n1cc2c(n1)-c1cc(F)ccc1SC2 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][S][C][Ring1][N] | C3(=O)n1cc2c(n1)-c1cc(F)ccc1SC2.Cc1noc(C)c13 |
6676 | O=C(NCc1ccccc1)C1CC(=O)N(c2ccccc2)C1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N] | C15CC(=O)N7C1.c16ccccc1.c17ccccc1.O=C35.N34.C46 |
6677 | NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl | [N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c14ccc(Cl)cc1Cl.NC(=O)C3C5.c15ccccc1.C24=O.N23 |
6679 | O=S(=O)(NCc1cccs1)c1c(F)cccc1F | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] | O=S3(=O)c1c(F)cccc1F.c14cccs1.N23.C24 |
6680 | O=S(=O)(c1c(F)cccc1F)N1CCOCC1 | [O][=S][=Branch1][C][=O][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][C][C][O][C][C][Ring1][=Branch1] | O=S2(=O)c1c(F)cccc1F.N12CCOCC1 |
6681 | COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(N)=O | [C][O][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][C][Branch1][C][N][=O] | c12cc4cc5c13.C4(F)(F)F.C5(F)(F)F.C3(N)=O.CO2 |
6682 | CS(=O)(=O)NCc1ccc(C(=O)NC2CCCCC2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | c18ccc7cc1.C16CCCCC1.CS5(=O)=O.C37=O.N45.C48.N36 |
6684 | NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(Cl)c(Cl)c1 | [N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c14ccc(Cl)c(Cl)c1.NC(=O)C3C5.c15ccccc1.C24=O.N23 |
6685 | CCOc1ccc(NC(=O)C(C)Sc2nnc(C)n2C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][C][=C][Ring2][Ring1][Ring1] | c15ccc7cc1.c18nnc(C)n1C.C3(=O)C6C.CC4.O45.N37.S68 |
6686 | COC(=O)C1(C)Nc2ccccc2C(=O)N1c1ccccc1C | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | C14(C)Nc2ccccc2C(=O)N15.c15ccccc1C.C34=O.CO3 |
6687 | COC(=O)C1(C)Nc2ccccc2C(=O)N1c1ccccc1OC | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | C15(C)Nc2ccccc2C(=O)N16.c16ccccc14.C35=O.CO3.O4C |
6688 | COc1cc(NC(=O)OC(C)(C)C)cc(OC)c1OC | [C][O][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][S][O][C] | c15cc8cc6c17.C4(C)(C)C.C23=O.CO5.N38.O24.O6C.O7C |
6689 | O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc2c(c1)OCO2 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.c14ccc6cc1.c17ccncc1.O=C35.N34.C67 |
6690 | Cc1cc(NC(=O)c2cncc(Br)c2)no1 | [C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=N][O][Ring1][#C] | c15cncc(Br)c1.Cc1cc4no1.C35=O.N34 |
6691 | O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCCCC1 | [O][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][N][C][C][C][C][C][Ring1][=Branch1] | c15ccc(S4(=O)=O)cc1.N14CCOCC1.N13CCCCC1.O=C35 |
6692 | CN(C(=O)CSc1nc(N)nn1-c1ccccc1)c1ccccc1 | [C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=N][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nc(N)nn15.c15ccccc1.c14ccccc1.C2(=O)C3.CN24.S36 |
6693 | COc1ccc(NC(=O)c2ccc(OC)c(OC)c2)cn1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=N][Ring2][Ring1][Ring1] | c18ccc5c6c1.c14ccc7cn1.C38=O.CO4.N37.O5C.O6C |
6694 | O=C(Nc1nc(SCc2ccc(F)cc2)ns1)c1ccco1 | [O][=C][Branch2][Ring1][Branch2][N][C][=N][C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][S][Ring1][=C][C][=C][C][=C][O][Ring1][Branch1] | c17ccc(F)cc1.c15nc8ns1.c16ccco1.O=C36.N35.S48.C47 |
6695 | c1ccc(Cn2cc(COc3ccccc3)nn2)cc1 | [C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring2] | c1ccc8cc1.n16cc7nn1.c15ccccc1.C68.C47.O45 |
6696 | CC(C)(O)c1nnn(Cc2ccccc2)c1C(C)(C)O | [C][C][Branch1][C][C][Branch1][C][O][C][N][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][C][Branch1][C][C][Branch1][C][C][O] | c14nnn3c15.c16ccccc1.CC4(C)O.C5(C)(C)O.C36 |
6697 | N#Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)nc1 | [N][#C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][S] | N#Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)nc1 |
6698 | COc1ccccc1N1CCN(C(=O)c2c(C)noc2C)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][C][Ring1][#C] | c14ccccc15.N15CCN3CC1.c16c(C)noc1C.C36=O.CO4 |
6699 | Cc1cc(C)n2nc(S(=O)(=O)NCCc3ccccc3)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][P][N][=Ring2][Ring1][=Branch1] | Cc1cc(C)n2nc(S5(=O)=O)nc2n1.c16ccccc1.C4C6.N45 |
6700 | Cc1cc(C)n2nc(S(=O)(=O)N(C)c3ccccc3)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][S][N][=Ring2][Ring1][Branch1] | Cc1cc(C)n2nc(S4(=O)=O)nc2n1.c15ccccc1.N45C |
6701 | CCCN(CCC)S(=O)(=O)c1nc2nc(C)cc(C)n2n1 | [C][C][C][N][Branch1][Ring2][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][N][=C][N][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring1][Branch2][N][=Ring1][O] | S5(=O)(=O)c1nc2nc(C)cc(C)n2n1.CCC3.N345.C4CC |
6702 | Cc1cc2c(c(SCC(=O)N(C)c3ccccc3)n1)C(=O)OC2 | [C][C][=C][C][=C][Branch2][Ring1][O][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][C][=Branch1][C][=O][O][C][Ring2][Ring1][Ring2] | Cc1cc2c(c7n1)C(=O)OC2.c16ccccc1.C5C4=O.N46C.S57 |
6703 | Cc1cc2c(c(SCC(=O)NCCc3ccccc3)n1)C(=O)OC2 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O][C][Ring2][Ring1][Branch1] | Cc1cc2c(c8n1)C(=O)OC2.c17ccccc1.C6C4=O.C5C7.S68.N45 |
6704 | Cc1nc(S(=O)(=O)N2CCC(C)CC2)c(C#N)c(C)c1Cl | [C][C][=N][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=C][Branch1][Ring1][C][#N][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][Cl] | Cc1nc(S3(=O)=O)c(C#N)c(C)c1Cl.N13CCC(C)CC1 |
6705 | Clc1ccc2nc(N3CCOCC3)sc2c1 | [Cl][C][=C][C][=C][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][S][C][Ring1][O][=C][Ring1][#C] | Clc1ccc2nc4sc2c1.N14CCOCC1 |
6706 | Cc1nc(S(=O)(=O)N2CCOCC2)c(C#N)c(C)c1Cl | [C][C][=N][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][Ring1][C][#N][C][Branch1][C][C][=C][Ring2][Ring1][C][Cl] | Cc1nc(S3(=O)=O)c(C#N)c(C)c1Cl.N13CCOCC1 |
6707 | O=S(=O)(Cc1ccccc1Cl)NCCc1ccccc1 | [O][=S][=Branch1][C][=O][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc1Cl.c15ccccc1.O=S3(=O)C4.C2C5.N23 |
6709 | CN(Cc1ccccc1)S(=O)(=O)Cc1ccccc1Cl | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c15ccccc1Cl.c14ccccc1.S3(=O)(=O)C5.CN23.C24 |
6710 | COc1ccc(-n2nnc3c(sc4nc(C)cc(C)c43)c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][N][N][=N][C][=C][Branch2][Ring1][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][Ring1][O][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch1] | n16nnc2c(sc3nc(C)cc(C)c32)c1=O.c15ccc6cc1.CO5 |
6711 | COc1ccc(NS(=O)(=O)c2c(C)noc2C)c(OC)n1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][Branch1][Ring1][O][C][=N][Ring2][Ring1][Ring1] | S5(=O)(=O)c1c(C)noc1C.c13ccc6c4n1.CO3.N56.O4C |
6712 | CCOC(=O)Cn1nnc(-c2ccc(S(C)(=O)=O)cc2)n1 | [C][C][O][C][=Branch1][C][=O][C][N][N][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=N][Ring1][#C] | c16ccc(S(C)(=O)=O)cc1.n15nnc6n1.C3(=O)C5.CC4.O34 |
6713 | Cc1ccc(-c2nn(CC(=O)N3CCCC3)c(=O)c3ccccc23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][P][C][=N][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2] | c16nn5c(=O)c2ccccc12.Cc1ccc6cc1.N14CCCC1.C5C4=O |
6715 | CCOc1cc(C#N)c(NC(=O)c2cccnc2)cc1OCC | [C][C][O][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][P][O][C][C] | c16cc(C#N)c8cc17.c19cccnc1.C39=O.CC4.O46.N38.O57.C5C |
6716 | O=c1c(Cl)c(N2CCc3ccccc3C2)cnn1-c1ccccc1 | [O][=C][C][Branch1][C][Cl][=C][Branch1][#C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=N][N][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1] | N14CCc2ccccc2C1.O=c1c(Cl)c4cnn15.c15ccccc1 |
6717 | O=c1c(Cl)c(N2CCOCC2)cnn1-c1cnc2ccccc2n1 | [O][=C][C][Branch1][C][Cl][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=N][N][Ring1][=N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2] | c14cnc2ccccc2n1.O=c1c(Cl)c3cnn14.N13CCOCC1 |
6718 | Nn1cnnc1SCC(=O)N1CCCc2ccccc21 | [N][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | N13CCCc2ccccc21.Nn1cnnc15.C4C3=O.S45 |
6719 | O=C(c1ccc(F)cc1F)C1CCN(C(=O)c2cccs2)CC1 | [O][=C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N] | c16ccc(F)cc1F.C15CCN3CC1.c14cccs1.O=C56.C34=O |
6720 | Cc1nnc(SCC(=O)N2CCCc3ccccc32)n1N | [C][C][=N][N][=C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][Ring2][Ring1][Ring1][N] | N14CCCc2ccccc21.Cc1nnc6n1N.C5C4=O.S56 |
6721 | Cc1noc(C)c1C(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][Ring1][S] | c16ccc(F)cc1F.Cc1noc(C)c15.N13CCC4CC1.C35=O.C46=O |
6722 | CCc1nnc(SCC(=O)N2CCCc3ccccc32)n1N | [C][C][C][=N][N][=C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][Ring2][Ring1][Ring1][N] | N14CCCc2ccccc21.c16nnc7n1N.C5C4=O.CC6.S57 |
6723 | CCCc1nnc(SCC(=O)N2CCCc3ccccc32)n1N | [C][C][C][C][=N][N][=C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][Ring2][Ring1][Ring1][N] | N14CCCc2ccccc21.c16nnc7n1N.C5C4=O.CCC6.S57 |
6725 | N#Cc1nc(-c2ccccc2OC(F)(F)F)oc1N | [N][#C][C][N][=C][Branch2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][F][O][C][=Ring1][S][N] | N#Cc1nc4oc1N.c14ccccc13.O3C(F)(F)F |
6726 | CC1CCN(c2cn[nH]c(=O)c2Br)CC1 | [C][C][C][C][N][Branch1][=N][C][C][=N][NH1][C][=Branch1][C][=O][C][=Ring1][#Branch1][Br][C][C][Ring1][=C] | c13cn[nH]c(=O)c1Br.CC1CCN3CC1 |
6727 | N#Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1N | [N][#C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][O][C][=Ring1][#C][N] | N#Cc1nc4oc1N.c14ccc3cc1.C3(F)(F)F |
6728 | Fc1cccc(Cl)c1-c1nnc2ccc(N3CCOCC3)nn12 | [F][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=N][N][=C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][N][Ring1][#C][Ring1][N] | c15nnc2ccc4nn12.Fc1cccc(Cl)c15.N14CCOCC1 |
6729 | COc1ccc2cnn(-c3ccccc3)c(=O)c2c1OC | [C][O][C][=C][C][=C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][=N][=C][Ring1][P][O][C] | c14ccc2cnn6c(=O)c2c15.c16ccccc1.CO4.O5C |
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