ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
2562 | O=C(Nc1ccc2c(c1)COC2=O)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccc2c(c1)COC2=O.c15ccc(F)cc1.O=C35.N34 |
2563 | CC(=O)Nc1c(C(=O)C2CC2)oc2ccc(Br)cc12 | [C][C][=Branch1][C][=O][N][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#C][Ring1][#Branch1] | c14c5oc2ccc(Br)cc12.CC3=O.C56=O.C16CC1.N34 |
2564 | CCOC(=O)Cn1c2ccccc2n2nc(C)c(=O)nc12 | [C][C][O][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][Branch1][C][C][C][=Branch1][C][=O][N][=C][Ring1][#C][Ring1][Branch2] | n15c2ccccc2n2nc(C)c(=O)nc12.C3(=O)C5.CC4.O34 |
2565 | CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 | [C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][=N] | c16ccc(F)cc1.c14ncc5s1.CC3=O.N34.C56 |
2567 | Cc1cc(C)c(COC(=O)c2nonc2N)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][#C][C][O][C][=Branch1][C][=O][C][=N][O][N][=C][Ring1][Branch1][N][C][Branch1][C][C][=C][Ring2][Ring1][C] | Cc1cc(C)c6c(C)c1.c15nonc1N.C35=O.C46.O34 |
2568 | CCSc1nc2ccccc2n1CC(=O)N1CCCCC1 | [C][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | c16nc2ccccc2n15.N13CCCCC1.C5C3=O.CC4.S46 |
2569 | Cn1cnnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O] | c15ccc3cc1.Cn1cnnc16.O3C(F)(F)F.C4C2=O.S46.N25 |
2570 | Cc1ccccc1C(=O)N1CCN(c2nc3ccccc3s2)CC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][Ring1][#C] | c15nc2ccccc2s1.Cc1ccccc16.N14CCN5CC1.C46=O |
2571 | C=CCN1C(=O)NC2(O)C(=O)c3ccccc3C12O | [C][=C][C][N][C][=Branch1][C][=O][N][C][Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][Ring1][O][O] | N14C(=O)NC2(O)C(=O)c3ccccc3C12O.C=CC4 |
2572 | Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(C(N)=O)CC1 | [C][C][O][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2] | Cc1onc6c15.c16ccccc1Cl.N13CCC4CC1.C35=O.C4(N)=O |
2573 | COc1ccc(OC)c(S(=O)(=O)n2nc(C)cc2C)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c13ccc4c(S(=O)(=O)n2nc(C)cc2C)c1.CO3.O4C |
2574 | CC(C)CNC(=O)c1cccc(NC(=O)CC(C)C)c1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][N][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][=C][Ring1][=N] | c16cccc5c1.C3(=O)CC(C)C.CC(C)C4.C26=O.N24.N35 |
2575 | Cc1sc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C | [C][C][S][C][NH1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][=C][C][=Ring1][P][C] | Cc1sc2[nH]c(=O)n4c(=O)c2c1C.c14ccccc1 |
2576 | Cn1cnnc1SCC(=O)N1CCCc2ccccc21 | [C][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.Cn1cnnc15.C4C3=O.S45 |
2577 | Cc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | Cc1ccc(S3(=O)=O)cc1.N13CCC4CC1.C4(N)=O |
2578 | O=C(NCc1ccncc1)C(O)(c1ccccc1)c1ccccc1 | [O][=C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C2C56O.c14ccncc1.c15ccccc1.c16ccccc1.N23.C34 |
2580 | Cc1cc(C)c(C#N)c(SCC(=O)c2cccs2)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=C][S][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=N][Ring2][Ring1][C] | Cc1cc(C)c(C#N)c5n1.c14cccs1.C3C4=O.S35 |
2581 | CC(=O)C1C(c2ccc(F)cc2)c2c(noc2C)CC1(C)O | [C][C][=Branch1][C][=O][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=Branch1][#Branch1][=N][O][C][=Ring1][Branch1][C][C][C][Ring1][P][Branch1][C][C][O] | C13C(c2ccc(F)cc2)c2c(noc2C)CC1(C)O.CC3=O |
2583 | NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][#C] | C14CCN3CC1.c15ccc(Cl)cc1.NC4=O.C35=O |
2586 | Cc1cn(C(=O)c2ccc(Cl)cc2Cl)c(C)n1 | [C][C][=C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Branch1][C][C][=N][Ring1][S] | Cc1cn(C3=O)c(C)n1.c13ccc(Cl)cc1Cl |
2587 | Cc1cc(C)n(-c2ccc(F)cc2)c(=O)c1C(N)=O | [C][C][C][=C][Branch1][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][#C][C][Branch1][C][N][=O] | Cc1cc(C)n4c(=O)c13.c14ccc(F)cc1.C3(N)=O |
2588 | O=C(Nc1ccc(F)cc1)Nc1cnc2ccccc2c1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c16cnc2ccccc2c1.c15ccc(F)cc1.O=C34.N35.N46 |
2592 | Cc1cc(C)n(-c2cccc(F)c2)c(=O)c1C(N)=O | [C][C][C][=C][Branch1][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][#C][C][Branch1][C][N][=O] | Cc1cc(C)n4c(=O)c13.c14cccc(F)c1.C3(N)=O |
2593 | Cc1cc(C)n2nc(S(=O)(=O)NC(C)(C(N)=O)C(C)C)nc2n1 | [C][C][C][=C][Branch1][C][C][N][N][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Branch1][C][C][C][N][=C][Ring1][P][N][=Ring2][Ring1][=Branch1] | Cc1cc(C)n2nc(S4(=O)=O)nc2n1.C3(C)(C(N)=O)C(C)C.N34 |
2594 | N#Cc1ccc(-c2cccs2)nc1SCc1ccccn1 | [N][#C][C][=C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][=C][Ring1][O][S][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | N#Cc1ccc6nc15.c14ccccn1.c16cccs1.S35.C34 |
2595 | Cn1c(=O)c2c(nc3n2CC(=O)N3c2ccc(F)cc2)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=Branch2][N][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][Ring2][Ring1][=Branch1][=O] | Cn1c(=O)c2c(nc3n2CC(=O)N3c2ccc(F)cc2)n(C)c1=O |
2596 | CC(=O)Nc1nnc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1 | [C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch2][Ring1][=Branch2][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][S][Ring2][Ring1][Ring1] | n16cnc2c1c(=O)n(C)c(=O)n2C.c15nnc7s1.CC4=O.N45.C67 |
2597 | COc1ccc(N2CC(C(=O)NCC3CCCO3)CC2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1] | c15ccc9cc1.N19CC7CC1=O.C18CCCO1.C47=O.CO5.N46.C68 |
2598 | Cc1ccc2c3c(c(N)c(=O)[nH]c13)-c1ccccc1C2=O | [C][C][=C][C][=C][C][C][=Branch1][#C][=C][Branch1][C][N][C][=Branch1][C][=O][NH1][C][Ring1][N][=Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O] | Cc1ccc2c3c(c(N)c(=O)[nH]c13)-c1ccccc1C2=O |
2599 | CC(=O)Nc1ccc2c3c(cc(=O)n2C)-c2ccccc2C(=O)c13 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][C][=Branch1][#Branch2][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][Ring2][=Ring1][S] | c15ccc2c3c(cc(=O)n2C)-c2ccccc2C(=O)c13.CC4=O.N45 |
2600 | CC(=O)Nc1cc2c(C)cc(=O)oc2c2c1OCC2=O | [C][C][=Branch1][C][=O][N][C][=C][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][Branch2][C][=C][Ring1][N][O][C][C][Ring1][Branch1][=O] | c14cc2c(C)cc(=O)oc2c2c1OCC2=O.CC3=O.N34 |
2601 | COC(=O)c1c(NC(=O)C(C)C)sc(C(N)=O)c1C | [C][O][C][=Branch1][C][=O][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][S][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=C][C] | c16c4sc5c1C.C3(=O)C(C)C.C26=O.C5(N)=O.CO2.N34 |
2602 | Cn1ccnc1SCC(=O)Nc1nccs1 | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1] | Cn1ccnc15.c14nccs1.C3C2=O.S35.N24 |
2603 | CC(=O)n1c(SCC(=O)Nc2ccccc2)nc2ccccc21 | [C][C][=Branch1][C][=O][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | CC(=O)n1c6nc2ccccc21.c15ccccc1.C4C3=O.S46.N35 |
2605 | Cc1ccc(C(O)(C(=O)Nc2ccccn2)c2ccc(C)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#C][C][Branch1][C][O][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2] | Cc1ccc5cc1.c16ccc(C)cc1.C56(O)C3=O.c14ccccn1.N34 |
2606 | Cc1cc(=O)oc2c1ccc1oc(C(C)O)c(C)c12 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch1][C][=C][C][O][C][Branch1][=Branch1][C][Branch1][C][C][O][=C][Branch1][C][C][C][=Ring1][=Branch2][Ring1][=N] | Cc1cc(=O)oc2c1ccc1oc3c(C)c12.C3(C)O |
2608 | COc1ccc(Cl)cc1S(=O)(=O)NCc1ccco1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | c12ccc(Cl)cc1S4(=O)=O.c15ccco1.CO2.N34.C35 |
2609 | COc1ccc2oc(=O)c(C(=O)NCCc3ccccc3)cc2c1 | [C][O][C][=C][C][=C][O][C][=Branch1][C][=O][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c15ccc2oc(=O)c7cc2c1.c18ccccc1.C47=O.C6C8.CO5.N46 |
2610 | Cc1cc(S(=O)(=O)NCc2cccnc2)c(Cl)cc1Cl | [C][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][C][Cl] | Cc1cc(S4(=O)=O)c(Cl)cc1Cl.c15cccnc1.N34.C35 |
2611 | COc1ccc2cc(S(=O)(=O)n3nnc4ccccc43)ccc2c1 | [C][O][C][=C][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c15ccc2cc(S(=O)(=O)n3nnc4ccccc43)ccc2c1.CO5 |
2612 | Cc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1 | [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | Cc1ccc(Cl)cc1S2(=O)=O.N12CCOCC1 |
2613 | Cc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl | [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][Cl] | Cc1cc(S3(=O)=O)ccc1Cl.N13CCOCC1 |
2614 | COc1ccc(C)cc1S(=O)(=O)n1cnc2ccccc21 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | c13ccc(C)cc1S(=O)(=O)n1cnc2ccccc21.CO3 |
2615 | Cc1c(Cl)ccc(S(=O)(=O)NCc2cccnc2)c1Cl | [C][C][=C][Branch1][C][Cl][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][Cl] | Cc1c(Cl)ccc(S4(=O)=O)c1Cl.c15cccnc1.N34.C35 |
2620 | Cc1sc2[nH]c(=O)n(-c3ccc(Cl)cc3)c(=O)c2c1C | [C][C][S][C][NH1][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][#C][C][=Ring2][Ring1][C][C] | Cc1sc2[nH]c(=O)n4c(=O)c2c1C.c14ccc(Cl)cc1 |
2622 | CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(O)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][=Branch2][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | C2(=O)C1=C(C)N(C)C(=O)NC14.c14ccc(O)cc1.CC3.O23 |
2623 | CCOC(=O)C1=C(C)N(C)C(=O)N(C)C1c1ccc(O)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | C2(=O)C1=C(C)N(C)C(=O)N(C)C14.c14ccc(O)cc1.CC3.O23 |
2624 | COc1ccc2c(c1OC)C(=O)OC2NC(N)=O | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][N][C][Branch1][C][N][=O] | c14ccc2c(c15)C(=O)OC2N3.C3(N)=O.CO4.O5C |
2625 | Cn1c(C#N)nc2c1c(=O)n(Cc1ccccc1F)c(=O)n2C | [C][N][C][Branch1][Ring1][C][#N][=N][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][N][Ring1][S][C] | Cn1c(C#N)nc2c1c(=O)n3c(=O)n2C.c14ccccc1F.C34 |
2627 | Cc1cc(C)n(CC(=O)NCc2n[nH]c(=O)c3ccccc23)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][N][=Ring2][Ring1][=Branch1] | c17n[nH]c(=O)c2ccccc12.Cc1cc(C)n6n1.C6C4=O.N45.C57 |
2628 | O=C(Cc1ccccc1)Nc1ccc2oc(-c3ccncc3)nc2c1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][O][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Ring1][O][=C][Ring1][#C] | c15ccc2oc7nc2c1.c16ccccc1.c17ccncc1.O=C4C6.N45 |
2629 | CC(=O)Nc1ccc(NC(=O)c2nn(C)cc2Br)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][Br][C][=C][Ring1][S] | c15ccc6cc1.c17nn(C)cc1Br.CC3=O.C47=O.N35.N46 |
2630 | CNC(=O)c1c(-c2ccccc2)oc2ccc(OC)cc12 | [C][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][P][Ring1][Branch2] | c15c6oc2ccc4cc12.c16ccccc1.C35=O.CN3.O4C |
2631 | CN1C(=O)CNC(=O)c2c1nc(N1CCOCC1)n2C | [C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][Ring1][=Branch2][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][Ring1][O][C] | CN1C(=O)CNC(=O)c2c1nc3n2C.N13CCOCC1 |
2632 | Cc1cccc(=NS(=O)(=O)c2ccc(Cl)cc2)[nH]1 | [C][C][=C][C][=C][C][=Branch2][Ring1][Ring2][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][NH1][Ring1][P] | Cc1cccc(=NS(=O)(=O)c2ccc(Cl)cc2)[nH]1 |
2633 | CCNC(=O)C1OC(n2cnc3c(N)ncnc32)C(O)C1O | [C][C][N][C][=Branch1][C][=O][C][O][C][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][Branch1][C][O][C][Ring1][S][O] | n17cnc2c(N)ncnc21.C16OC7C(O)C1O.C46=O.CC5.N45 |
2634 | COc1ccc(C(=O)CSc2nc(C)cc(C)n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][Ring2][Ring1][C][O][C] | c13ccc6cc14.c17nc(C)cc(C)n1.C6(=O)C5.CO3.S57.O4C |
2635 | COc1ccc(NC(=O)Nc2ccc3c(c2)OCO3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c18ccc2c(c1)OCO2.c16ccc7cc1.C45=O.CO6.N47.N58 |
2636 | Cc1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1] | n16nc(C)c2ccccc2c1=O.Cc1ccc5c(C)c1.C4(=O)C6.N45 |
2637 | Cc1nn(CC(=O)Nc2ccc(O)cc2)c(=O)c2ccccc12 | [C][C][=N][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][=Branch1][Ring1][=Branch1] | Cc1nn5c(=O)c2ccccc12.c14ccc(O)cc1.C5C3=O.N34 |
2639 | COc1ccc(Nc2nc3nonc3n3cnnc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=N][C][=N][O][N][=C][Ring1][Branch1][N][C][=N][N][=C][Ring1][N][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1] | c15nc2nonc2n2cnnc12.c14ccc6cc1.CO4.N56 |
2640 | Cn1cnnc1SCC(=O)c1ccc(F)cc1 | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c13ccc(F)cc1.Cn1cnnc14.C2C3=O.S24 |
2641 | Cn1cnnc1SCC(=O)Nc1nc2ccccc2s1 | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | c15nc2ccccc2s1.Cn1cnnc16.C4C3=O.S46.N35 |
2642 | CC(=O)n1c(=O)n(C(C)=O)c2cc(Br)ccc21 | [C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][=C] | CC(=O)n1c(=O)n(C(C)=O)c2cc(Br)ccc21 |
2644 | Cc1cc(S(=O)(=O)Nc2cccnc2)ccc1Cl | [C][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring1][S][Cl] | Cc1cc(S3(=O)=O)ccc1Cl.c14cccnc1.N34 |
2646 | Cc1cccc(NC(=O)CSc2nnc3n(N)cnn23)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Branch1][C][N][C][=N][N][Ring1][=Branch2][Ring1][=Branch1][=N][Ring2][Ring1][Ring2] | c17nnc2n(N)cnn12.Cc1cccc6n1.C4(=O)C5.N46.S57 |
2647 | CCOc1ccccc1C(=O)n1cc(Cl)cn1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][Cl][C][=N][Ring1][=Branch1] | C4(=O)n1cc(Cl)cn1.c13ccccc14.CC2.O23 |
2648 | COc1ccc(CCNC(=O)c2nonc2N)cc1OC | [C][O][C][=C][C][=C][Branch1][S][C][C][N][C][=Branch1][C][=O][C][=N][O][N][=C][Ring1][Branch1][N][C][=C][Ring1][P][O][C] | c14ccc8cc15.c17nonc1N.C8C6.C37=O.CO4.N36.O5C |
2650 | COC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21 | [C][O][C][=Branch1][C][=O][C][C][C][C][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][Ring1][#Branch1] | C3(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21.CO3 |
2651 | CSc1ccccc1NC(=O)CSc1ncccn1 | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1] | c16ccccc14.c15ncccn1.C2(=O)C3.CS6.N24.S35 |
2652 | Cc1nnc(SCC(=O)Nc2ccc(Br)cn2)s1 | [C][C][=N][N][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][S][Ring1][P] | c15ccc(Br)cn1.Cc1nnc6s1.C4C3=O.S46.N35 |
2654 | Nc1ccc2nc(SCC(=O)N3CCCCC3)sc2c1 | [N][C][=C][C][=C][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][S][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | Nc1ccc2nc6sc2c1.N14CCCCC1.C5C4=O.S56 |
2655 | O=C(NCc1cccnc1)c1ccc(C#Cc2ccccc2)o1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][O][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=N] | c15ccc(C#Cc2ccccc2)o1.c16cccnc1.O=C35.N34.C46 |
2657 | O=C(c1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)cs1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][S][Ring1][=C] | c14cc(S3(=O)=O)cs1.c15ccccc1.N13CCOCC1.O=C45 |
2659 | Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2F)s1 | [C][C][=N][N][=C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][S][Ring2][Ring1][C] | c15ccc(Cl)cc1F.Cc1nnc6s1.C4C3=O.S46.N35 |
2660 | CCOc1cccc(-c2nc3cc(OC)c(OC)cc3c(=O)o2)c1 | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][Ring1][#C][=C][Ring2][Ring1][Branch1] | c18nc2cc6c7cc2c(=O)o1.c15cccc8c1.CC4.O45.O6C.O7C |
2662 | CCOC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 | [C][C][O][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][P] | c15nc7n6n1.c17ccccc1.c16ccccc1.C35=O.CC4.O34 |
2663 | O=S1(=O)N=C(Oc2ccccc2)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | O=S1(=O)N=C(O3)c2ccccc21.c13ccccc1 |
2664 | COC(C(=O)Nc1ccc(Cl)cn1)c1ccccc1 | [C][O][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc(Cl)cn1.c15ccccc1.C35C2=O.CO3.N24 |
2665 | Cc1ccc(C2=Nc3nnnn3C(c3ccccc3)C2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][C][=N][N][=N][N][Ring1][Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(C2=Nc3nnnn3C(c3ccccc3)C2)cc1 |
2666 | Cn1c(=O)oc2cc(S(=O)(=O)N3CCOCC3)ccc21 | [C][N][C][=Branch1][C][=O][O][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][Ring1] | Cn1c(=O)oc2cc(S4(=O)=O)ccc21.N14CCOCC1 |
2667 | O=C(CSc1ccccn1)c1ccc2c(c1)OCO2 | [O][=C][Branch1][O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c14ccc2c(c1)OCO2.c15ccccn1.O=C4C3.S35 |
2668 | COc1cc(-c2nc(-c3nonc3N)no2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=N][O][N][=C][Ring1][Branch1][N][=N][O][Ring1][O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C] | c14cc8cc5c16.c18nc7no1.c17nonc1N.CO4.O5C.O6C |
2669 | Nc1nonc1-c1noc(-c2c(F)cccc2F)n1 | [N][C][=N][O][N][=C][Ring1][Branch1][C][=N][O][C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=N][Ring1][=N] | c14c(F)cccc1F.Nc1nonc13.c13noc4n1 |
2670 | COc1ccc(Cl)cc1-c1nc(-c2nonc2N)no1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=Branch2][C][=N][O][N][=C][Ring1][Branch1][N][=N][O][Ring1][O] | c13ccc(Cl)cc15.c15nc4no1.c14nonc1N.CO3 |
2671 | Nc1c(C(=O)NCc2ccccc2)nnn1Cc1ccccc1 | [N][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][N][Ring1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Nc1c5nnn16.c17ccccc1.c18ccccc1.C35=O.N34.C47.C68 |
2673 | Cc1cc(C)c2c(N)c(S(=O)(=O)c3ccccc3)sc2n1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][N][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][#C][=N][Ring2][Ring1][Ring2] | Cc1cc(C)c2c(N)c(S(=O)(=O)c3ccccc3)sc2n1 |
2674 | Cc1cc2c(Cc3ccco3)n[nH]c(=O)c2c(=O)[nH]1 | [C][C][=C][C][C][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][=N][NH1][C][=Branch1][C][=O][C][=Ring1][=N][C][=Branch1][C][=O][NH1][Ring2][Ring1][C] | Cc1cc2c4n[nH]c(=O)c2c(=O)[nH]1.c15ccco1.C45 |
2675 | CC(C)n1c(Sc2nccn2C)nc2c1c(=O)n(C)c(=O)n2C | [C][C][Branch1][C][C][N][C][Branch1][#Branch2][S][C][=N][C][=C][N][Ring1][Branch1][C][=N][C][=C][Ring1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n13c4nc2c1c(=O)n(C)c(=O)n2C.c15nccn1C.CC3C.S45 |
2678 | O=C(Cn1nnc(-c2ccccc2F)n1)NCCc1ccccc1 | [O][=C][Branch2][Ring1][Ring2][C][N][N][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17ccccc1F.n15nnc7n1.c16ccccc1.O=C3C5.C4C6.N34 |
2679 | CC1(C)CC(=O)c2cc3c(nc2C1)CC(C)(C)CC3=O | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][=C][Ring1][=Branch1][C][Ring1][N][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][O][=O] | CC1(C)CC(=O)c2cc3c(nc2C1)CC(C)(C)CC3=O |
2680 | O=S(=O)(c1ccccc1)N1CCCc2ccccc21 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | N13CCCc2ccccc21.O=S3(=O)c1ccccc1 |
2681 | Cc1ccc(S(=O)(=O)c2cn(C)c(=O)n2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][=C][Ring1][P] | Cc1ccc(S(=O)(=O)c2cn(C)c(=O)n2C)cc1 |
2682 | CCOC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | C18CCN4CC1.c17ccccc1.C38=O.C45=O.CC6.O36.N57 |
2683 | O=C(CSc1nnnn1-c1ccccc1)Nc1ccccc1F | [O][=C][Branch2][Ring1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c14ccccc1F.c16nnnn15.c15ccccc1.O=C2C3.S36.N24 |
2684 | O=C(Nc1ccc(F)cc1)C1COc2ccccc2O1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.c14ccc(F)cc1.O=C35.N34 |
2685 | O=C(Nc1cccc(C(F)(F)F)c1)C1COc2ccccc2O1 | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.c14cccc6c1.C6(F)(F)F.O=C35.N34 |
2686 | CC(=O)c1cccc(NC(=O)CSc2nnc3ccccn23)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | c18nnc2ccccn12.c17cccc6c1.C4(=O)C5.CC7=O.N46.S58 |
2687 | C=C1CSc2nc(=O)c3c(C)c(C)sc3n21 | [C][=C][C][S][C][=N][C][=Branch1][C][=O][C][C][Branch1][C][C][=C][Branch1][C][C][S][C][=Ring1][#Branch1][N][Ring1][N][Ring1][#C] | C=C1CSc2nc(=O)c3c(C)c(C)sc3n21 |
2688 | Cn1c(SCc2nnc3n2CCCCC3)nc2ccccc21 | [C][N][C][Branch1][P][S][C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | Cn1c6nc2ccccc21.c15nnc2n1CCCCC2.S46.C45 |
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