| Internal ID,SMILES,log RLM CLint |
| Mol1,CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(C(=O)N[C@@H]3C[C@@H]3F)cnc12,1.392169149 |
| Mol2,CCOc1cc2nn(CCC(C)(C)O)cc2cc1NC(=O)c1cccc(C(F)F)n1,1.027920136 |
| Mol3,CN(c1ncc(F)cn1)[C@H]1CCCNC1,1.027920136 |
| Mol4,CC(C)(Oc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1)C(=O)O,1.027920136 |
| Mol5,CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(C)(C)O)cc2n1,1.629093448 |
| Mol6,CC#CC(=O)N[C@H]1CCCN(c2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)C1,2.376374361 |
| Mol7,CC(C)NCC(O)COc1cccc2ccccc12,3.318275952 |
| Mol8,COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,2.72806226 |
| Mol9,C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1,3.2433 |
| Mol10,CC(C)NC(=O)COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1,3.192741081 |
| Mol11,CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)cn2)C1,1.28368559 |
| Mol12,COc1ccc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)cc1,2.138776216 |
| Mol13,CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21,2.365560985 |
| Mol14,CC1(C)CC[C@]2(NC(=O)C(C)(F)F)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1,2.160423509 |
| Mol15,Cc1c[nH]c2nccc(Oc3c(F)cc(Nc4cc(Cl)nc(N)n4)cc3F)c12,2.238813599 |
| Mol16,COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2,2.2125152 |
| Mol17,N#Cc1ccc2[nH]c(O)c(-c3ccc(CN4CCOCC4)cn3)c2c1,1.849836922 |
| Mol18,CCCc1cc(N2CCc3c(nc(C4CC4)n3C)C2)n2ncnc2n1,2.25299858 |
| Mol19,Fc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1,2.208589142 |
| Mol20,Nc1c(F)ccc2cnc(-n3ccc4ccncc43)cc12,3.372693144 |
| Mol21,C=CC(=O)N1C[C@H](Nc2ncnc3[nH]ccc23)CC[C@@H]1C,1.435764759 |
| Mol22,Cn1cc(Nc2nccc(N3CC4CCC(C3)N4C(=O)[C@@H]3CC3(F)F)n2)cn1,1.511656132 |
| Mol23,[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC,1.417438476 |
| Mol24,C=CC(=O)N1CCC(CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)CC1,3.161600362 |
| Mol25,Nc1n[nH]cc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl,1.571266162 |
| Mol26,Cc1c(-c2c(F)cc(C(N)=O)c3[nH]c4c(c23)CC[C@H](C(C)(C)O)C4)cccc1-n1c(=O)c2cccc(F)c2n(C)c1=O,1.637629802 |
| Mol27,Cn1cc(-c2cn3nccc3c(-c3cnn([C@]4(CC#N)C[C@@H](C#N)C4)c3)n2)cn1,1.027920136 |
| Mol28,O=C(Nc1cccnc1)c1ccnc(NC(=O)C2CC2)c1,1.436051275 |
| Mol29,O=C(c1ccc(Oc2ccccc2)cc1Cl)c1c[nH]c2ncnc(N[C@@H]3CC[C@@H](CO)OC3)c12,1.027920136 |
| Mol30,N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1,2.607477542 |
| Mol31,CC(C)(C)c1ccc(-c2nc3n(c(=O)c2C#N)CCS3)cc1,2.281224324 |
| Mol32,C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)c1,2.322653372 |
| Mol33,CC#CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1,2.272106283 |
| Mol34,C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1,2.758344821 |
| Mol35,C=CC(=O)N1CCC[C@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1,2.712971095 |
| Mol36,CC(C)(C=C(C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1)N1CCN(C2COC2)CC1,3.056338375 |
| Mol37,CC#CC(=O)N1CC[C@@H](n2cc(-c3ccc(Oc4c(F)cccc4F)cc3)c3c(N)n[nH]c(=O)c32)C1,2.715512815 |
| Mol38,C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)nc3[nH]ccc23)c1,2.53699252 |
| Mol39,C[C@@H]1c2nnn(-c3ncc(F)cn3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl,1.027920136 |
| Mol40,COc1ccccc1-c1cc(NC(=O)c2cccc(N3CCNC3=O)c2)[nH]n1,2.012702277 |
| Mol41,Nc1ncc(-c2cccc(C(F)(F)F)c2)c(C2CCCCN2C(=O)c2ccccc2)n1,3.177817186 |
| Mol42,O=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-n2cnc(C3CC3)c2)ccn1,1.572453363 |
| Mol43,Fc1ccccc1-c1c[nH]nc1C1CCCN1Cc1ccc2ncccc2c1,3.213226004 |
| Mol44,Cc1nccc(-c2cn(Cc3ccccc3)c3cnccc23)n1,3.329049083 |
| Mol45,CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C5CCN(C)CC5)cc(C)c4n3)cc12,1.409628842 |
| Mol46,Cc1c(Cl)ccc2cc3n(c12)[C@@H](C)CNC3=O,1.847547983 |
| Mol47,Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCNC1,2.012651661 |
| Mol48,Cc1nnc(CN(C)CC(C)Oc2ccc(Cl)c(Cl)c2)n1C,3.158486128 |
| Mol49,COc1nn(C)cc1C(=O)Nc1cccc(-c2cnc3n2CCC3)c1,1.848847759 |
| Mol50,COc1cc(F)ccc1-c1ncnc(Nc2cccc(C[S@@](C)(=N)=O)c2)n1,1.027920136 |
| Mol51,Cc1ncc(CN2CC[C@@H](Nc3cncc(Cl)n3)[C@@H](C)C2)s1,2.804398773 |
| Mol52,Cc1ccc(C(=O)N2CCC(Cc3ccccc3-c3ccccc3)(C(=O)N(C)C)CC2)s1,3.182090951 |
| Mol53,CCc1nc2c(C)cc(N3CCN(CC(=O)N4CC(O)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1,2.746011108 |
| Mol54,C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12,2.077589539 |
| Mol55,CN(C)C(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C2CCCO2)CC1,3.377908999 |
| Mol56,CC(=O)Nc1ccc(C(=O)N2CCCCC2c2nc(N)ncc2-c2ccc(Cl)cc2)cc1,2.808125186 |
| Mol57,CC(=O)Nc1ccc(C(=O)N2CCCCC2c2nc(N)ncc2-c2cccc(Cl)c2)cc1,2.813429526 |
| Mol58,O=C1CN(c2ccc(Nc3nccc(C(F)(F)F)n3)cn2)CCN1,1.387407625 |
| Mol59,O=C1NCCN(C(=O)c2ccc3nccn3c2)C1c1ccccc1C(F)(F)F,1.573811169 |
| Mol60,Cc1cc(F)ccc1C1C(=O)NCCN1C(=O)c1ccc2nccn2c1,1.442448411 |
| Mol61,O=C1NCCN(C(=O)c2ccncc2)C1c1ccccc1Cl,1.968889034 |
| Mol62,C[C@H]1CN(C(=O)CC(c2ccccc2)c2ccccc2)C[C@@H](C)O1,3.278679765 |
| Mol63,CN1[C@H]2CC[C@@H]1C[C@@H](OC(c1ccccc1)c1ccccc1)C2,3.037733185 |
| Mol64,CC(C)(C)C(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(=O)N2CCCC2)CC1,3.158208351 |
| Mol65,OC[C@H](Nc1cncc(-c2ccc3[nH]ncc3n2)c1)c1ccccc1,2.518683676 |
| Mol66,Cc1ncsc1C(=O)N1CCCCC1c1nc(N(C)C)ncc1-c1cccc(Cl)c1,3.077711934 |
| Mol67,OCC1CCCCN1Cc1ccc(Cl)c(Cl)c1,2.476100913 |
| Mol68,CC(=O)N1CCN(c2nc(C(F)(F)F)nc3sc(C)c(C)c23)CC1,2.335620355 |
| Mol69,COc1ccccc1C(=O)Nc1ccc2cc[nH]c2c1,2.691249517 |
| Mol70,c1ccc(Oc2cccc(CN(CCN3CCOCC3)Cc3cccnc3)c2)cc1,3.588207258 |
| Mol71,COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(Cc4cccc(F)c4)[C@H]23)cc1,3.293540435 |
| Mol72,Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3ccc(F)cc3OC(C)C)c12,1.719090867 |
| Mol73,OCC1CCCCN1Cc1ccc(-c2ccccc2)cc1,3.346903123 |
| Mol74,Nc1ncc(C(=O)NC2CN(C(=O)C3CC3)C2)c2ccc(-c3cccc(F)c3)nc12,1.470307565 |
| Mol75,CC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1,1.617409267 |
| Mol76,Cc1nnc(-c2ccc3occ(-c4ccc(S(C)=O)cc4)c3c2)o1,1.788882177 |
| Mol77,Cc1ncsc1C(=O)N1CCCCC1c1nc(N)ncc1-c1cccc(C(F)(F)F)c1,2.761852694 |
| Mol78,O=C(Nc1ccc2ccccc2n1)c1ccc(N2CCOC2=O)cc1,1.659098158 |
| Mol79,O=C(CCNC(=O)c1ccc(OC(F)(F)F)cc1)N[C@@H]1CCCc2ccccc21,2.9013079 |
| Mol80,O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,2.014996993 |
| Mol81,C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccoc23)c1,2.516764029 |
| Mol82,CCN1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1,3.159066443 |
| Mol83,O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1,1.28688292 |
| Mol84,CCn1c(CO)nn(-c2cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(F)cccc3Cl)cc2F)c1=O,2.243926822 |
| Mol85,CCN(C/C=C\c1ccc(C2CCCCC2)c(Cl)c1)C1CCCCC1,2.771252261 |
| Mol86,NCCN1CCN(C/C=C/C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C2)CC1,1.697299103 |
| Mol87,Cn1c(C2CC2)nc2c1CCN(c1ncnc3ccsc13)C2,3.038396003 |
| Mol88,CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,2.199853869 |
| Mol89,COc1nn(C)cc1C(=O)Nc1cccc2cnccc12,2.255957185 |
| Mol90,CNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2cccc(F)c2)C1,2.949896713 |
| Mol91,Cc1ncc(CN2CCC(Nc3ccc4nnnn4n3)C(C)C2)s1,2.088001348 |
| Mol92,Cc1nc(Nc2nccs2)cc(C2CN(c3ncccn3)C2)n1,1.870152152 |
| Mol93,COc1ccc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)cc1Cl,2.759158477 |
| Mol94,COc1ccc(CCCN2CCN(c3cnn(C)c3)C(=O)C2)cc1F,1.644537058 |
| Mol95,Cc1noc(C(C)C)c1C(=O)N1CC(C)OC(c2ccccc2)C1,3.206827764 |
| Mol96,CN(Cc1ccccc1)C1(C(=O)N2CCNC(=O)CC2)Cc2ccccc2C1,3.440209084 |
| Mol97,Cc1c(F)cccc1NC(=O)CN1[C@H]2CCCC(=O)N[C@@]2(C)C[C@H]1Cc1ccccc1,3.037958084 |
| Mol98,CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N[C@H]3CC[C@H](C)CC3)cc2)C1=O,2.484587375 |
| Mol99,O=S(=O)(c1cccc2c(O)nccc12)N1CCCNCC1,2.280027186 |
| Mol100,Cc1ccc(NC(=O)CN2[C@H]3CCCC(=O)N[C@@]3(C)C[C@H]2Cc2ccccc2)cc1F,3.521284437 |
| Mol101,CN(C)C(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)C2CC=CCC2)CC1,3.432739262 |
| Mol102,COCC(=O)N1CCC(Cc2ccccc2-c2cccc(F)c2)(C(=O)NC(C)C)CC1,2.757490166 |
| Mol103,COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1,2.746921299 |
| Mol104,C#C[C@@](C)(CC)NC(=O)c1cc(F)cnc1NC1CC(F)(F)C1,2.495928511 |
| Mol105,Cn1cc(Nc2nc(N)nc(-c3cccc(-n4ccc5cc(C6CC6)cc(F)c5c4=O)c3CO)n2)cn1,1.578593372 |
| Mol106,Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1,1.027920136 |
| Mol107,CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccc(F)cc2)C1,2.878798599 |
| Mol108,CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2cccc(F)c2)C1,2.992100431 |
| Mol109,CC(=O)Nc1ncc(CN2CCCC[C@@H]2C)s1,1.150111425 |
| Mol110,O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3ccccc3F)N2C(=O)c2cccc3ncccc23)N1,2.602536368 |
| Mol111,CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O,2.339360001 |
| Mol112,CC(O)(C#Cc1ccc2c(c1)N(c1nc(N)ncc1Cl)CC2)c1nccs1,2.514890272 |
| Mol113,COCCc1noc(CN2CC(c3ccccc3)(c3ccccc3)CCC2=O)n1,3.302756139 |
| Mol114,Cc1[nH]nc2c1C1(CCCCC1)CC(=O)N2,1.659202877 |
| Mol115,Cc1oc2ccccc2c1CNc1nnc(-c2ccncc2)o1,2.149366932 |
| Mol116,O=C(Nc1cccc2ncccc12)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1,2.73638694 |
| Mol117,C[C@@H]1Cc2ccccc2N1C(=O)Cn1nc(-c2cccc3ncccc23)oc1=O,3.033483668 |
| Mol118,Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,3.082243061 |
| Mol119,O=C(Nc1cnccc1-c1ccc(Cl)cc1)c1ccnc(NC(=O)C2CC2)c1,1.880241776 |
| Mol120,CN1C(N)=N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)CS1(=O)=O,1.915521189 |
| Mol121,CC1CN(C(=O)c2cccnc2N2CCOCC2)CC(c2ccccc2)O1,2.743158424 |
| Mol122,CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,1.027920136 |
| Mol123,Cc1cc(Nc2cnccn2)cc(C2CCCN(CC(=O)N3CCCC3)C2)n1,1.994000227 |
| Mol124,Cc1cccnc1Nc1cccc(C2CCCN(CC(=O)Nc3nccs3)C2)n1,2.765263869 |
| Mol125,CN(C)C(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2cnn(C)c2)CC1,3.097606757 |
| Mol126,CC1(C)CC(=O)C2=C(C1)NC(=O)CC2c1ccc(Br)cc1,2.392746182 |
| Mol127,CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)cc2)CC1,2.827400293 |
| Mol128,CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccccc2Cl)C1,2.747637831 |
| Mol129,Cc1cc(N2CCCC2c2cc(CCC(=O)O)cc(C)n2)ncn1,1.027920136 |
| Mol130,CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,1.180527283 |
| Mol131,O=C(CN1CCCC(c2cccc(Cc3cccc(F)c3)n2)C1)N1CCCC1,3.058701926 |
| Mol132,COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC,2.187091855 |
| Mol133,Cc1cc(C)c2c(N)c(C(=O)NCc3ccc(Cl)cc3)sc2n1,3.188084374 |
| Mol134,COCCNC(=O)c1ccnc(C2CCNCC2)c1,1.206123964 |
| Mol135,COc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl,2.123093413 |
| Mol136,CC1(CNC(=O)c2cncc(C3CCNCC3)n2)CCCO1,1.32842038 |
| Mol137,Cc1cc(N2CCCC2)nc(C2CCCN(C)C2)n1,2.519927699 |
| Mol138,O=C1NCCSc2c1sc1ccc(O)cc21,1.978326627 |
| Mol139,CCn1cc(C(=O)O)c(=O)c2c(N)c(F)c(NC3CCCCC3)cc21,2.048927103 |
| Mol140,CC1CCN([C@H](c2ccc(F)cc2)c2ccc([C@@H](C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1,1.247948729 |
| Mol141,Cc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccccc3)cc12,1.027920136 |
| Mol142,CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1c1cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc12,1.958473097 |
| Mol143,O=C1CCC(=O)N1Cc1nc(C23CC4CC(CC(C4)C2)C3)cs1,3.144807014 |
| Mol144,O=C(Nc1nc2c(s1)COc1ccccc1-2)c1cnc(Cl)c(Cl)c1,2.445191505 |
| Mol145,COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO,1.856221212 |
| Mol146,CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1,2.800315583 |
| Mol147,CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1,1.407560849 |
| Mol148,O=C(Nc1nc2cc(C(F)(F)F)cc(NC3CC3)n2n1)c1cccnc1,1.598024072 |
| Mol149,COc1cc(Nc2cc(-c3cccc(C#N)c3)ccn2)ccc1N1CCN(C)CC1,2.296616933 |
| Mol150,COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O,1.027920136 |
| Mol151,CCS(=O)(=O)N1CCN(c2ccc(Nc3ncc(C(N)=O)c(NC4CC4)n3)cc2)CC1,1.559511632 |
| Mol152,O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1,1.027920136 |
| Mol153,CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F,2.338270185 |
| Mol154,C[C@@]1(c2ncncc2F)NC(=O)c2cc(-c3cn[nH]c3)ccc21,1.542707193 |
| Mol155,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1.775967056 |
| Mol156,CC(C)(C)OC(=O)c1ccc(-n2[nH]cc(-n3ccnn3)c2=O)nc1,1.316263972 |
| Mol157,C[C@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1,1.027920136 |
| Mol158,Nc1ncc(-c2cc(C3C4CN(C5COC5)CC43)n(CC3CC3)n2)cc1C(F)(F)F,1.861122024 |
| Mol159,NS(=O)(=O)C#Cc1ccccc1,1.027920136 |
| Mol160,C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1,2.591679978 |
| Mol161,C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3)ncc2F)c1,2.50806218 |
| Mol162,C=CC(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2F)c1C,3.308929409 |
| Mol163,CC#CC(=O)N1CCC[C@@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12,2.439157361 |
| Mol164,N#CN1CCC[C@H](n2nc(-c3ccc(Oc4ccc(F)cc4F)cc3)c(C(N)=O)c2N)C1,1.833892616 |
| Mol165,CC(=O)NCCNc1cc(Cl)nn2c(-c3cccc(S(=O)(=O)N(C)C)c3)c(C)nc12,2.901441974 |
| Mol166,Cc1c[nH]c(=O)n1-c1ccc(C(=O)Nc2ccc3ccccc3n2)cc1,1.693999396 |
| Mol167,CNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1,2.348908172 |
| Mol168,COc1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCN(C(C)=O)CC2)cc1,3.525185185 |
| Mol169,c1ccc(-c2ccc(CN3CCCCCCC3)cc2)cc1,3.184623585 |
| Mol170,CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)COc2ccccc2Cl)CC1,3.553730633 |
| Mol171,CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)COc2ccccc2)CC1,3.264134452 |
| Mol172,Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CN(C)CC(=O)N(C)C)cc1,3.383449292 |
| Mol173,O=C(c1sc(N2CCOCC2)nc1-c1ccccc1)N1CCCCC1,2.926789889 |
| Mol174,Cc1ccccc1-c1nc(Cn2ccnc2C(C)C)c(C)o1,3.43425888 |
| Mol175,CCc1nc2cc(-c3c(OC)cccc3OC)ccc2o1,3.575702918 |
| Mol176,O=C(C1CCC(O)CC1)N1CCCN(c2ccc(F)cc2)CC1,2.313915707 |
| Mol177,CCn1ncnc1-c1[nH]cnc1-c1ccccc1,1.681621079 |
| Mol178,Cc1nnc(NCCc2ccc3c(c2)OCO3)c(C#N)c1C,2.970806966 |
| Mol179,Cc1nc(N2CCn3ccnc3C2)c2cnn(C)c2n1,1.027920136 |
| Mol180,Cc1cc(CN(C)Cc2cscn2)no1,1.397000918 |
| Mol181,Cc1occc1C(=O)NCC(=O)Nc1nc2cc(Cl)ccc2n1C,2.290499837 |
| Mol182,CCNC(=O)c1ccc(CS(C)(=O)=O)cc1,1.314920056 |
| Mol183,c1ccc(-c2noc(NC3CC3)n2)cc1,2.250100263 |
| Mol184,Cc1nn(C)c2sc(C(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)cc12,1.027920136 |
| Mol185,CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(C(=O)NO)cc3)ccc2c1,2.355369136 |
| Mol186,O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1ccccn1,2.652403974 |
| Mol187,COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3cccc(C(=O)O)c3)s2)c1,1.684324614 |
| Mol188,O=C(CSc1nccn1C1CC1)Nc1c(Cl)cc(Cl)cc1C(=O)O,2.309415096 |
| Mol189,CCN1CCC(CNC(=O)c2cc(C)nc3cc(F)ccc23)CC1,1.027920136 |
| Mol190,COc1ccc(CCC(=O)N2CCCNCC2)cc1,1.027920136 |
| Mol191,Cc1cc(-c2cnn(CCNC(=O)c3sc(C)nc3C)c2C2CC2)on1,2.088444417 |
| Mol192,O=C(CSc1nc2nc(O)cc(O)c2s1)c1ccc(-c2ccccc2)cc1,2.105738342 |
| Mol193,C#CCNC(=O)CN1CCCN(C(=O)c2cccc(C)n2)CC1,1.194764024 |
| Mol194,CN(C)c1ccc2c(c1)OCCN2C(=O)NCc1cccnc1,2.872877942 |
| Mol195,O=C(NCc1ccc(CO)c(F)c1)Nc1ccccc1,1.317080886 |
| Mol196,CCCOc1ccccc1C(=O)N1CC(Oc2cccc(OC)c2)C1,3.134906696 |
| Mol197,O=C(c1ccc(-n2cccn2)nc1)N1CCN(c2ccccc2O)CC1,2.10436418 |
| Mol198,COc1ccc(CCNCc2ccc(-c3ccccc3)o2)cc1OC,3.03685317 |
| Mol199,CSCC(=O)N1CCN(C(=O)CSC)C2(CCCCC2)C1,2.938697809 |
| Mol200,CCCCNC(=O)c1cccc2ncccc12,1.446832188 |
| Mol201,COc1cccc(OCCCn2cncc2-c2cc3c(cc2C)n(C)c(=O)n3C)c1,2.546181012 |
| Mol202,Cc1ccc(C(=O)N2CCN(C(=O)NCC(=O)N3CCCC3)CC2)cc1F,1.347583686 |
| Mol203,COC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc(OC)c(F)c2)c1C,2.771466214 |
| Mol204,Cc1cc(OCC(=O)N(C)C2CCCCCCC2)no1,3.345284314 |
| Mol205,CC(C)CNc1nnc(SCc2ccncc2)s1,2.800070653 |
| Mol206,COc1c(C)cccc1CN1CCC(O)(c2ccc(F)cc2)CC1,3.106687484 |
| Mol207,Cc1nn(-c2ccc(C(=O)O)cc2C#Cc2ccccc2)c(C)c1C,2.774355626 |
| Mol208,Cc1cc(C)nc(Nc2ccc(C3CCCN(CC(=O)N4CCCC4)C3)nc2)n1,2.072025522 |
| Mol209,CCc1nc2ccccc2n1CC(=O)N1CCNC(=O)C1,1.027920136 |
| Mol210,O=C1Nc2ccccc2O[C@H]2C[C@@H]1N(CC1CC1)C2,2.575853791 |
| Mol211,CCN(C/C=C/c1ccc(F)cc1)Cc1nc(COC)no1,2.935639247 |
| Mol212,CC(=O)Nc1ccc2nc(C)cc(O)c2c1,1.027920136 |
| Mol213,O=C(NC[C@@H]1CCN(c2ccccc2)C1)N1CCc2ccccc2C1,3.335113337 |
| Mol214,CC1CCN(CCNC(=O)c2ccncc2)CC1,2.690079071 |
| Mol215,CCN1CCC(N(C)c2ncnc3c2cnn3C)CC1,1.567955163 |
| Mol216,CN(CC#N)C(=O)c1cccc(CN2CCCC2)c1,2.508392339 |
| Mol217,Cc1cc2nc(CCC(=O)N3CCC(c4ccc(C(=O)N(C)C)c(N)n4)CC3)[nH]c2cc1C,2.505620661 |
| Mol218,O=C(c1cc2ccccc2[nH]1)N1C[C@@H](O)[C@H](N2CCOCC2)C1,1.246695495 |
| Mol219,CNC(=O)C1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1,1.05095946 |
| Mol220,COc1ccc(C)cc1NC(=O)CN1CCc2ccccc2C1,3.365992559 |
| Mol221,O=C(CCOc1ccccc1)N1CCCC1,1.93230123 |
| Mol222,c1ccc(-c2n[nH]c(C3CCN(c4ccccn4)CC3)n2)cc1,2.64325325 |
| Mol223,COc1ccc(-n2cc3c(c2-c2ccccc2Br)c(=O)n(C)c(=O)n3C)cc1,2.717138541 |
| Mol224,CC(=O)N1CCC[C@H]1C(=O)Nc1cccc(OC(F)F)c1,1.497593031 |
| Mol225,COc1ccc(CN2CCC(c3nc(C(C)C)no3)CC2)c(F)c1,3.233032935 |
| Mol226,Cc1nnc(NCC(=O)N2CCc3sccc3C2)c(C#N)c1C,2.425750988 |
| Mol227,CCNC(=O)C1CN(c2cccc(C#N)n2)C1,1.027920136 |
| Mol228,O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)N(Cc2ccccc2)C1,2.958203016 |
| Mol229,CCCn1cc(C(=O)N2CCC(c3n[nH]cc3C(=O)N(C)Cc3ccccc3)CC2)cn1,2.74931418 |
| Mol230,c1ccc(CO[C@@H]2CCC[C@H]2n2cc(-c3nccs3)nn2)cc1,3.479500594 |
| Mol231,Cc1cc(C(=O)N(C)Cc2ccc(Br)cc2)no1,2.973620083 |
| Mol232,NCc1cccc(C(=O)N2CCCC2)c1,1.027920136 |
| Mol233,Cc1ncsc1CN1CCCN(c2nc3ccccc3[nH]2)CC1,2.714158691 |
| Mol234,Cc1ccccc1CNC(=O)c1ccc(-n2ccnc2)nc1,1.548119052 |
| Mol235,O=C(NCc1cnn(-c2ccccc2)c1)C1CCC1,2.066966643 |
| Mol236,CNC(=O)c1ccc(N2CCCC2)nc1,1.764295715 |
| Mol237,Cc1cc(C)nc(N(C)CC(=O)NC2CC2)n1,1.364006614 |
| Mol238,Cc1cc(C(=O)Nc2cccc3ncccc23)on1,1.044304519 |
| Mol239,CN(c1ncnc2c1cnn2CCO)C1CCCCC1,1.889178401 |
| Mol240,NS(=O)(=O)OC[C@@H]1C[C@@H](n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1O,2.832521686 |
| Mol241,CN1CCN(c2ccc(NC(=O)c3ccccc3Cl)nc2)CC1,2.54333533 |
| Mol242,Cc1cc(OCc2ncc(C(C)(C)C)o2)nn1C,2.816379854 |
| Mol243,Clc1cccc(CNc2nc(C3CC3)no2)c1,2.218144096 |
| Mol244,Cc1ccc(-c2nc(NCc3ccco3)ncc2-c2cc(C)no2)cn1,2.691941269 |
| Mol245,O=C(c1ccccc1F)N1CCC[C@@H]1Cn1nnn(-c2cccs2)c1=O,3.094085578 |
| Mol246,COc1nc(C)nc(N(C)Cc2nccs2)c1C,2.706250814 |
| Mol247,O=C(c1ccc2c(c1)OCO2)N1CCC(c2n[nH]c(C3CC3)n2)CC1,1.649529566 |
| Mol248,CN(Cc1cccc(C#N)c1)Cc1ccccc1C#N,3.625142096 |
| Mol249,CN1CCN(Cc2noc(Cc3ccccc3)n2)c2ccccc21,3.300817574 |
| Mol250,COc1ccc(C2(NCc3ccc(N4CCCC4=O)cc3)CC2)cc1,2.425389105 |
| Mol251,O=C(c1cccnc1)N1CCCC(c2cccc(-c3cccc(Cl)c3)n2)C1,3.102705655 |
| Mol252,CNC(=O)c1ccc(N(C)C2CCC2)nn1,1.605595915 |
| Mol253,CC#CCNc1ccc(-n2cnnn2)c(C)c1,2.116617705 |
| Mol254,Nc1nc2ccccc2nc1N1CCCC1,2.527157978 |
| Mol255,CCn1c(=O)n(CC)c2cc(N)ccc21,1.300921408 |
| Mol256,Cc1cc(N2CCCCC2)nc(CNC(=O)c2ccccc2Cl)n1,3.001873841 |
| Mol257,COc1ccccc1C(=O)NCc1nc(C)cc(N2CCCCC2)n1,3.02141714 |
| Mol258,CCc1nnc(NC(=O)Cc2cccc(F)c2)s1,1.882649742 |
| Mol259,O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1F,3.040661666 |
| Mol260,Cc1cccc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1,2.859452942 |
| Mol261,O=C(CN1CCCN(c2nccs2)CC1)Nc1cccc(Cl)c1,3.290218758 |
| Mol262,COc1ccccc1NC(=O)CN1CCCN(c2nc(C)cs2)CC1,3.290326493 |
| Mol263,CC(C)(C)c1cc(NC(=O)c2cccc3cn[nH]c23)[nH]n1,2.245922093 |
| Mol264,Cc1ccccc1OCCCNc1cc(Cn2c(C)nc3ccccc32)nc(N)n1,3.327467852 |
| Mol265,COc1ccc(-c2cccc(C3CCCN(CC(=O)Nc4ccccn4)C3)n2)cc1,3.345796839 |
| Mol266,O=C1CCCN1CCc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1,1.818911775 |
| Mol267,Cc1noc(C)c1C(=O)N1CCCN(c2ccc(F)cc2)CC1,2.753002846 |
| Mol268,COCC1CCN(c2noc(-c3cccs3)n2)CC1,2.511771098 |
| Mol269,NC(=O)COc1ccccc1-c1ccccc1,1.878757262 |
| Mol270,Cc1nc(C)c(C)c(NCc2cc(-c3ccc(F)cc3)no2)n1,2.384555906 |
| Mol271,Cc1cccn(Cc2cccc(F)c2)c1=O,1.857248042 |
| Mol272,C[C@@H](C(=O)N1CCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.80926672 |
| Mol273,Cn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1,2.487877603 |
| Mol274,Cc1ccc(-c2cn(CC3CCN(Cc4c[nH]c(C)n4)CC3)nn2)cc1,1.510451171 |
| Mol275,Clc1ccc2c(Oc3cccnc3)ncnc2c1,1.671839052 |
| Mol276,CC(C)(C)c1csc(NC(=O)C2CC2)n1,1.949546129 |
| Mol277,Cc1ccc(C(=O)Nc2ncccc2C)s1,1.53879987 |
| Mol278,CC(C)(C)C(=O)N1CCN(C(=O)CCN2CCOC2=O)CC1,1.027920136 |
| Mol279,COc1ccc(Cc2cccc(C3CCN(C(=O)C4CCCC4)CC3)n2)cc1,2.945827395 |
| Mol280,O=C([C@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCc2ccccc2C1,3.584599974 |
| Mol281,O=C(Cn1c(=O)c2cccn2c2ccccc21)NCCCN1CCCC1,2.802245411 |
| Mol282,O=C(CCCc1nnc(-c2ccccc2)o1)Nc1cccc2ccccc12,3.061235655 |
| Mol283,CN(CC(=O)NC1(C#N)CCCCC1)c1cccc(C#N)c1,2.845618261 |
| Mol284,Cc1nc(C2(NCc3cccc(C#N)c3)CCCC2)no1,2.702888717 |
| Mol285,CN(CCC1CCCCC1)C(=O)c1ccon1,2.987719878 |
| Mol286,CN(C)Cc1cccc(N/C(=C2\C(=O)Nc3cc(C(=O)N(C)C)ccc32)c2ccccc2)c1,2.180696337 |
| Mol287,CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12,2.32151351 |
| Mol288,COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)n3cccc(OCCN4CCCCC4)c3n1)C2=O,2.397159315 |
| Mol289,O=C(O)c1ccc(N2CCCC2)c(F)c1,1.159867847 |
| Mol290,Cc1cc(C)cc(Oc2cc(C#N)ccn2)c1,2.330279811 |
| Mol291,Cc1cc(NC(=O)C2CCOCC2)sn1,1.027920136 |
| Mol292,O=C(CC1CCNCC1)NCCc1ccccc1F,1.341157437 |
| Mol293,N#Cc1ccc(-c2csc(CCN3CCCC3=O)n2)cc1,1.828569678 |
| Mol294,N#Cc1cccc(CN2CCC=C(CNC(=O)c3cccs3)C2)c1,2.645033982 |
| Mol295,CON(C)C(=O)c1cc(C)ccc1NS(C)(=O)=O,1.027920136 |
| Mol296,C#CCN1CCC(c2nc(Cc3noc(C)n3)no2)CC1,1.10710817 |
| Mol297,Cc1ccc(Cn2nccc2NC(=O)c2ccncc2)o1,2.330279811 |
| Mol298,NC(=O)Cn1cc(-c2ccc(F)cc2)cn1,1.027920136 |
| Mol299,CCN(C(=O)CN1CCNC(=O)C1)c1ccc(F)cc1,1.027920136 |
| Mol300,Cc1ccc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c(F)c1,2.808265003 |
| Mol301,CN(C)[C@@H]1CN(C(=O)CCn2cnc3ccccc32)C[C@H]1O,1.487166667 |
| Mol302,N#Cc1cc(F)c(C(=O)Nc2ccnc(NC(=O)[C@H]3C[C@H]3F)c2)c(Cl)c1,1.027920136 |
| Mol303,CNC(=O)Cc1csc(-c2ccc(C)cc2)n1,3.002748188 |
| Mol304,COc1ccccc1CNC(=O)C(C)N1CCCN(c2ccccc2C#N)CC1,3.604436451 |
| Mol305,CON(C)C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1,2.537113581 |
| Mol306,CCN(CC)Cc1cccc(/C=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1,2.71229522 |
| Mol307,N#CCCN(c1ncnc2sccc12)C1CC1,2.364156856 |
| Mol308,Cc1ccc2nc3c(c(C(=O)NCc4nnc5n4CCC5)c2c1)CCCC3,1.458954957 |
| Mol309,O=c1n(CCc2ccncc2)nnn1-c1ccccc1,1.814254257 |
| Mol310,CCCCOc1ccc(C(=O)NCc2cc(C)on2)cc1,2.624314074 |
| Mol311,COc1cccc(C(=O)C[n+]2cc(-c3ccc(F)cc3)n(C)c2N)c1,1.655196081 |
| Mol312,COc1ccc(Cc2ncnn2-c2ccc3c(c2)OCO3)c(OC)c1,3.482677107 |
| Mol313,O=c1[nH]nc(CCCN2CCOCC2)n1-c1cccc(Cl)c1,1.449061647 |
| Mol314,Nc1cncc(-c2ccc(CN3CCCCC3)cc2)c1,1.750816843 |
| Mol315,O=C(CN1CCCC(c2ccc3cn[nH]c3n2)C1)N1CCCC1,2.527646654 |
| Mol316,COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3CNCC[C@H]3O[C@@H]21,1.711992713 |
| Mol317,CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCNC[C@@H]3C[C@H]21,2.010800125 |
| Mol318,CC(C)c1nccn1-c1cccc([C@@H]2CCCN2C(=O)CCc2ccccc2)n1,3.02332367 |
| Mol319,CCn1nc(C2CCCC2)nc1-c1ccncc1,2.567680258 |
| Mol320,O=C([C@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCc2ccccc2C1,3.563233491 |
| Mol321,CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(CC(F)F)CC3)nc2O1,2.08385006 |
| Mol322,CC(C)(C)NC(=O)c1cncn1C1CCN(c2ccc(-c3nnc(C(F)(F)F)o3)cn2)CC1,1.402398959 |
| Mol323,COc1ccc(-n2c(Cn3cnc(C#N)n3)nc3ccccc32)cc1,2.821992756 |
| Mol324,CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1,2.04821644 |
| Mol325,Cc1nc(NCc2scnc2C)n(C)n1,1.027920136 |
| Mol326,CCn1cc(C2CCN(Cc3ccc(C#N)cc3)CC2)cn1,2.27343882 |
| Mol327,CCCn1nccc1NC(=O)c1c(C)noc1C,1.027920136 |
| Mol328,CCc1cc2c(N(C)CCO)ncnc2s1,2.142730385 |
| Mol329,c1cnc(N2CCC(Cc3ccncc3)CC2)nc1,2.164120773 |
| Mol330,Cc1cc(C)n(CCNC(=O)NC2CCOCC2)n1,1.027920136 |
| Mol331,CCNC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccn1,1.849259672 |
| Mol332,CC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1,1.364475949 |
| Mol333,Cc1ccc(CNC/C=C/c2ccccc2)cn1,2.61324333 |
| Mol334,CC(C)(C)n1ncc(OCc2ccc(OCCOCCO)nc2)c(Cl)c1=O,1.94509913 |
| Mol335,CC(=O)Nc1ccc(Oc2ncnc3scc(-c4ccccc4)c23)cc1,2.641757598 |
| Mol336,CCCNC(=O)C1(Cc2ccccn2)CCOCC1,1.027920136 |
| Mol337,CC1(c2ccn[nH]2)CCN(Cc2ccco2)CC1,1.883030825 |
| Mol338,CCCn1cc(C(=O)N2CCC(c3n[nH]cc3C(=O)N3CCOCC3)CC2)cn1,1.057932227 |
| Mol339,O=C(c1ccc2[nH]ccc2c1)N1CCCC(c2cccc(-c3ccc(F)cc3)n2)C1,2.756505268 |
| Mol340,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,2.177972019 |
| Mol341,Cc1cc(Nc2ccc3c(c2)oc(=O)n3C)nc(C2CC2)n1,2.201683828 |
| Mol342,O=C(Cc1c(F)cccc1Cl)Nc1cccc2cnccc12,2.458865888 |
| Mol343,CCc1ccc(NC(=O)C2CCN(c3ccc4nncn4n3)CC2)cc1,1.539414867 |
| Mol344,CN(C)CCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccc4c(c3)CC/C4=N\O)[nH]2)cc1,2.232536175 |
| Mol345,O=C(NCc1ccc(-n2cncn2)nc1)c1csc2c1CCCC2,2.293210028 |
| Mol346,Cc1sc2ncnc(OCC(=O)NC3CCCCC3)c2c1C,2.576675294 |
| Mol347,Cc1nc(C(C)C)sc1C(=O)Nc1nc(C(C)(C)C)cs1,2.600216849 |
| Mol348,CCOC(=O)c1c(C)[nH]c(CN(Cc2ccccc2)C(=O)c2ccccc2Cl)c1C,3.172363536 |
| Mol349,Cc1cc(C)n2ncc(C(=O)Nc3cccc(C(=O)O)c3)c2n1,1.027920136 |
| Mol350,Cc1ccc2nc(-c3ccc(N(C)C)cc3)[nH]c2c1,3.402485094 |
| Mol351,Cc1nc(CC2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc(NC2CCCC2)n1,1.958625989 |
| Mol352,CCC(CC)NC(=O)c1ccc2ncsc2c1,1.311287539 |
| Mol353,O=C1CNC(=O)N1CCCN1CCc2sccc2C1,1.456563395 |
| Mol354,CCCc1nc(N2CCc3ccccc3C2)ncc1C(=O)O,1.594237812 |
| Mol355,Cc1nc(CCN2C(=O)NC(C)(C)C2=O)cs1,1.336939794 |
| Mol356,COc1ccc(N2N=C(C)/C(=C(\C)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1,1.593894982 |
| Mol357,c1ccc(OCc2cc(CC3(NCc4cnc5ccccc5c4)COC3)no2)cc1,3.102772502 |
| Mol358,Cc1nn(C)cc1CNc1nc(-c2cnccn2)nc2sc3c(c12)CCCC3,3.382335889 |
| Mol359,CCOc1ccc(-c2csc(N)n2)cc1,2.528736778 |
| Mol360,CN(C)c1cccc(C(=O)N2CCCC(c3cccc(-c4cccs4)n3)C2)c1,3.559495825 |
| Mol361,CNc1ncc(-c2nc(C3(c4ccccc4)CC3)nn2C(C)(C)C)cn1,2.943585026 |
| Mol362,N#Cc1ccc(OCCn2cccn2)cc1,1.027920136 |
| Mol363,OC[C@@H](c1ccccc1)n1cc(CCc2ccccc2)nn1,2.84132818 |
| Mol364,CC(C)CC(=O)Nc1cccnc1N(C)C,1.762746065 |
| Mol365,Cc1nccc(-c2cccc(-n3ccnc3C(C)C)c2)n1,2.698558098 |
| Mol366,CN(Cc1cnn(C)c1)c1ncnc2c1oc1ccccc12,2.703378228 |
| Mol367,Cc1cccc(NC(=O)c2cccnc2N2CCCCC2)n1,3.221679168 |
| Mol368,Clc1snnc1CN1CCCN(c2nc3ccccc3[nH]2)CC1,3.159559373 |
| Mol369,COc1ccc(S(=O)(=O)CCC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cc1,2.037928236 |
| Mol370,CC(C)c1nc2c(n1C)CCN(c1ncnc3ccsc13)C2,2.753205281 |
| Mol371,Cc1ccnc(NC(=O)CN(C)C(=O)c2ccc(Cl)cc2)c1,2.192308137 |
| Mol372,c1ccc(-n2cc(CNc3ncccn3)cn2)cc1,2.258009568 |
| Mol373,Cc1cc(C)c(C#N)c(N2CCN(CC(=O)Nc3ccccc3Cl)CC2)n1,2.90539755 |
| Mol374,O=C(NCCCn1ccnc1)N1CCC12CCC2,1.444591226 |
| Mol375,Cc1nccc(-c2ccc(-c3noc(CN4CCOCC4)n3)cc2)n1,2.025911816 |
| Mol376,COCCc1nc(-c2cnc(C3CC3)nc2)n(Cc2ccc(F)cc2)n1,3.01474183 |
| Mol377,O=C(NCc1nnc2c(O)nccn12)C1CCCC1,1.027920136 |
| Mol378,CN(C)C(=O)COc1ccc(N)c(F)c1,1.027920136 |
| Mol379,COc1ccc(Br)c(-c2nnc(N)o2)c1,1.772439068 |
| Mol380,CCCn1ccnc1CNc1nc2c(s1)c(C)nn2C,2.109912491 |
| Mol381,Cc1nn(C)c2nc(N3CCN(C)C[C@@H]3c3ccccc3)sc12,2.704210593 |
| Mol382,Cc1cn[nH]c1C1(C)CCN(Cc2cnn(C)c2)CC1,1.898319212 |
| Mol383,Cc1nc2ccccn2c1CC(=O)NCCCSc1ccccc1,3.101632301 |
| Mol384,COc1ccccc1CNC(=O)c1cnc(C2CCN(C(=O)C(C)(C)C)CC2)nc1C,3.471998625 |
| Mol385,CCOC(=O)N1CCC(Nc2nc3ccccc3s2)CC1,2.467858104 |
| Mol386,CCOc1ccc(-c2ccccc2NC(=O)COC)cc1,3.62353676 |
| Mol387,Cc1ccc(-n2nc(C(=O)N3CC(O)C3)c3c2CCCC3)cc1,2.259804048 |
| Mol388,CNC(=O)c1cnc(/C=C/c2csc(-c3cccs3)n2)s1,2.335905004 |
| Mol389,Cc1ccc(-c2nc(C(=O)N3CCc4ccccc4C3)cs2)o1,3.5569184 |
| Mol390,FC(F)(F)c1nc(Nc2ccc(-n3cnnn3)cc2)c2ccccc2n1,1.027920136 |
| Mol391,CC(=O)NC1CCN(Cc2cccc(-c3cccnc3)c2)CC1,1.626494345 |
| Mol392,Cc1cc(C)c(NC(=O)c2ccnc(OC3CCC3)c2)c(C)n1,1.735023717 |
| Mol393,Cn1c(-c2ccccc2)cnc1NCc1ccccc1,3.526665909 |
| Mol394,Cc1ccc(-c2cc(NC(=O)CN3CCOCC3)on2)cc1,1.85115435 |
| Mol395,COc1ccc2c(c1)C=C(CN1CCC(c3cc(-c4ccc(N)nc4)cc(C)n3)CC1)CO2,2.227153696 |
| Mol396,CCc1nnnn1Cc1noc2c1CCCC2,1.782852287 |
| Mol397,CSCCc1nc(-c2cc(C)nc3cc(F)ccc23)n(CCO)n1,2.166385705 |
| Mol398,CCOc1ncccc1-c1cc(Cl)ccc1O,2.815365197 |
| Mol399,Cc1nc(NC(c2nccn2C)C2CC2)c2sccc2n1,2.504394735 |
| Mol400,Cc1cc(C(=O)N(C)C2CCC2)n2nccc2n1,1.027920136 |
| Mol401,CCCn1ncc2ccc(C3CCCN(CC(=O)N4CCCC4)C3)nc21,2.461072127 |
| Mol402,CC1CCC(NC(=O)c2oc3ccccc3c2CS(C)=O)CC1,2.188841335 |
| Mol403,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)nc2O)c1C)C1CCOCC1,2.72053057 |
| Mol404,Cn1cc(NC(=O)c2ccccc2C(F)(F)F)cn1,1.027920136 |
| Mol405,CN(Cc1n[nH]c2c1CCCC2)c1nccnc1C#N,3.057485808 |
| Mol406,COc1ccc2c(c1)CN(C(=O)c1cc(C3CC3)[nH]n1)CC2,3.456797077 |
| Mol407,COc1ccc(C(=O)c2ccccc2)c(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1,3.179450387 |
| Mol408,COc1ccc(OC)c(-c2cc(C(=O)N3CCCN(C(C)=O)CC3)no2)c1,2.330373183 |
| Mol409,Cc1cc(C)cc(C(=O)Nc2nn(C(C)(C)C)cc2C#N)c1,2.430890608 |
| Mol410,CC(C)CC(=O)NCC(=O)N1CCCC1,1.027920136 |
| Mol411,Cc1nnc(N2CC[C@H](O)C2)c(C#N)c1C,1.027920136 |
| Mol412,Cc1ccc(Cn2nc(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)cc2-c2ccc(Cl)c(C)c2)cc1,2.830243405 |
| Mol413,Cc1cccc(-c2ncc(CNCc3ccccc3-n3cccn3)cn2)c1,3.537610206 |
| Mol414,COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12,2.034439941 |
| Mol415,Clc1ccc(-c2ccc(CNCC3CCCO3)o2)c(Cl)c1,3.019742553 |
| Mol416,O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ccc3ccccc3c2O)CC1,2.220212725 |
| Mol417,CN(C)C(=O)CN1CCN(C(=O)c2ccc3ccccc3c2O)CC1,1.027920136 |
| Mol418,NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2cccc(Cl)c2)CC1,3.134704191 |
| Mol419,CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cccc(C#N)c1,2.117890801 |
| Mol420,CC(=O)N1CCC(Nc2ncnc3cc(-c4ccc(Br)cc4)sc23)CC1,1.635905772 |
| Mol421,Cc1cc(NC2CCCC2)nc(C2CCNCC2)n1,1.395308916 |
| Mol422,COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCc1ccc(OC)cc1,2.701906309 |
| Mol423,Cc1ccc2nc(C)c(C(=O)N3CCC(C(=O)Nc4ccncc4)CC3)cc2c1,1.844868424 |
| Mol424,Cn1cc(C2CCN(CC(=O)N3CCc4sccc4C3)CC2)cn1,2.09887206 |
| Mol425,O=C(CCN1C(=O)CCC1=O)Nc1cccc2ncccc12,1.027920136 |
| Mol426,CCc1ccccc1NC(=O)Cn1nc(C)cc1C,1.977476673 |
| Mol427,O=C(Cc1ccc(Cl)cc1)NCc1ccncc1,1.555360509 |
| Mol428,CC(C)n1cc(-c2ccc3c(c2)N(C)CC3)c2c(NS(=O)(=O)c3ccn(C)n3)ccnc21,2.061022496 |
| Mol429,O=C(Cc1cccc2ccccc12)NCc1nnc2n1-c1ccccc1CC2,3.238495478 |
| Mol430,Cc1nc(-c2ccccc2)ccc1C(=O)N1CCCS1(=O)=O,1.982488326 |
| Mol431,Cc1cccnc1NC(=O)CCn1cnc2ccccc21,1.027920136 |
| Mol432,CNC(=O)c1ccc(CN(C)c2c(F)cc(C#N)cc2F)cc1,2.375840953 |
| Mol433,CC(C(=O)Nc1ccccc1)N1CCCN(c2nccs2)CC1,3.304632684 |
| Mol434,O=C1CCCN1c1ccc(CN2CCC(c3noc4cc(F)ccc34)CC2)cc1,2.036225549 |
| Mol435,Brc1ccc(-c2nnc(Cn3cnc4ccccc43)o2)o1,1.613704432 |
| Mol436,Cc1cc(NC(=O)CCc2cnn(C)c2)c2ccccc2n1,1.397592434 |
| Mol437,CCc1noc(C2CCC(NCC3CCC(F)(F)CC3)CC2)n1,2.379492251 |
| Mol438,COC(=O)N1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1,3.685872813 |
| Mol439,CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC,2.562956293 |
| Mol440,COc1ccc(F)c(CN2CCC(Cc3noc(C)n3)CC2)c1,2.420097738 |
| Mol441,Cc1ccc(C)c(-n2c(S)nnc2-c2ccc(O)cc2)c1,2.214541855 |
| Mol442,CCN1CCC(Nc2ncnc3c2cnn3C)CC1,1.340265601 |
| Mol443,CN(CC1CCCC1)C(=O)Nc1ccccc1N1CCOC1=O,2.73292906 |
| Mol444,Cc1nccn1CCNC(=O)C(C)(C)C,1.027920136 |
| Mol445,O=C(NCCc1ccc2c(c1)OCCO2)c1ccc2ccccc2n1,3.289148638 |
| Mol446,CC(C)(C)c1csc(CCNC(=O)N2CCSCC2)n1,2.980318405 |
| Mol447,CS(=O)(=O)CCNc1ccc2ccc(F)cc2n1,1.883161567 |
| Mol448,COc1cccc(NC(=O)CNc2cccc(-c3ccnc(C)n3)c2)c1,2.398681151 |
| Mol449,O=S(=O)(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(Cl)cc1,3.468993564 |
| Mol450,Cn1ncc2cc(-c3ccnc4[nH]ccc34)ccc21,2.838213549 |
| Mol451,COc1cc(CNc2nnn[nH]2)cc(Br)c1OCc1ccc(Cl)cc1,1.872097974 |
| Mol452,O=c1c(-c2ccc(F)cc2)c(-c2ccncc2)[nH]n1-c1ccc(Cl)cc1,1.027920136 |
| Mol453,CCNC(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1,1.650822153 |
| Mol454,O=C(CCc1nnc(-c2ccsc2)o1)N1CCCc2cc(F)c(F)cc21,3.295658567 |
| Mol455,Cn1ccnc1CCNC(=O)c1cccc2cccnc12,2.175720503 |
| Mol456,COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2,1.368621544 |
| Mol457,Cc1nn(C)c(C)c1CCC(=O)N1CCCc2ncccc21,2.652671722 |
| Mol458,Nc1nc2ccccc2n1CCCc1ccccc1,2.665882922 |
| Mol459,Cc1ccc2c(CC(=O)NCc3cccs3)coc2c1,3.401049172 |
| Mol460,CC(=O)NC1(C(=O)N2CCCN(C3CC3)CC2)CCC(C)CC1,1.907669281 |
| Mol461,O=C(c1cccc(CNc2ccc3nccnc3n2)c1)N1CCCCC1,2.162877917 |
| Mol462,CC(C)CN(c1ncnc2c1cnn2C)C1CC1,2.538211671 |
| Mol463,O=C(CCc1ccccc1)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1,3.630252291 |
| Mol464,Cc1ccc(-c2ccc(-c3nccn3CCCn3cnnc3)o2)cc1,2.732886485 |
| Mol465,CCc1cc(NCc2cccc(OCCOC)c2)ncn1,2.169906505 |
| Mol466,Cn1ccnc1CN1CCN(Cc2ccc(F)cc2C#N)CC1,2.64966289 |
| Mol467,Cn1c(=O)n(Cc2cccc(OC(F)F)c2)c2cnccc21,2.32059697 |
| Mol468,CC(=O)N1CCN(C(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1,1.027920136 |
| Mol469,CCOC(=O)CNC(=O)c1ccc(O)cc1O,2.05592086 |
| Mol470,N#CC1(C(=O)N2CCN(Cc3ccccn3)CC2)CCCCC1,2.906020253 |
| Mol471,N#Cc1cccnc1NCCc1cn2c(n1)CCCC2,3.387243316 |
| Mol472,CN(Cc1ccccc1)C(=O)c1ccc(-n2cccn2)nc1,3.697944903 |
| Mol473,O=C(CC1CCN(c2ncc(Cl)cn2)CC1)N1CCOCC1,1.671108018 |
| Mol474,Cc1sc2nc(CN3CCC(C)CC3)nc(N3CCN(c4cnccn4)CC3)c2c1C,3.295722319 |
| Mol475,Cc1cc2cc(C(=O)N(C)CCC(=O)O)oc2cc1C,1.027920136 |
| Mol476,Cc1ccncc1-c1ccc(-c2ccn[nH]2)cc1,1.818120277 |
| Mol477,CN(CC1(O)CCCC1)c1ncccn1,2.120001074 |
| Mol478,CCNC(=O)C1CN(c2nc(C3CC3)nc3c2CCC3)C1,1.299572667 |
| Mol479,Cc1cc(-c2nnc3ccc4ccccc4n23)n(C)n1,1.307816827 |
| Mol480,Cc1nn(C)c2ncc(C(=O)Nc3ccc4c(c3)CCO4)cc12,1.683101096 |
| Mol481,CN(C)[C@@H]1CN(C(=O)c2cc3ccc(F)cc3[nH]2)C[C@H]1O,2.081919508 |
| Mol482,Clc1ccc(NCc2ccoc2)nn1,1.027920136 |
| Mol483,CCOCC(=O)NCc1cc(C2CC2)n(C2CCCC2)n1,2.421750312 |
| Mol484,CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3[nH]ccc23)c1,1.17350677 |
| Mol485,CN(C)C1(CNC(=O)N2CCCC(C)(C)CC2)CCOCC1,2.079155911 |
| Mol486,CCc1noc(CN2CCCN(C(C)=O)c3ccccc32)n1,2.931718674 |
| Mol487,Cn1ccc(CN2C(=O)c3ccccc3C2=O)cc1=O,1.082390378 |
| Mol488,Cc1nc(Cn2ncc3ccccc3c2=O)cs1,2.010897548 |
| Mol489,Cc1ncccc1CNc1nnc(C(C)(C)C)s1,1.284566077 |
| Mol490,Cc1ncc2c(n1)CN(CCCc1nc3ccccc3o1)CC2,2.489812285 |
| Mol491,COc1cc(Br)c(Nc2nc(-c3c(C)nc4ncccn34)cs2)c(Br)c1,2.714752111 |
| Mol492,Cc1ccnc(-n2nccc2NC(=O)N2CCCN(C)CC2)c1,2.229090267 |
| Mol493,O=C1Oc2nc3cc4c(cc3cc2CN1CCN1CCOCC1)OCO4,1.459543258 |
| Mol494,Cc1nc2ccc(NC(=O)c3sc(-c4ccccn4)nc3C)cc2s1,1.585065737 |
| Mol495,CCOc1ccc(C(=O)Nc2cnn(C3CCOCC3)c2)cn1,2.025297671 |
| Mol496,Cc1nc(O)cc(C2CCN(c3cnccn3)CC2)n1,1.304081029 |
| Mol497,COc1ccc(-c2c(C)n[nH]c2C)cn1,1.717878449 |
| Mol498,CC(C)c1nc(O)c2nnn(C[C@@H]3CCCN(Cc4cccs4)C3)c2n1,2.99962113 |
| Mol499,O=C(/C=C/c1ccc(Cl)cc1)N1CCC2(CC1)CN(Cc1ccc(Cl)c(Cl)c1)C(=O)O2,2.675676628 |
| Mol500,Cc1cc(N)n(-c2ncnc3sc(C)c(-c4ccc(Cl)cc4)c23)n1,2.826104619 |
| Mol501,CC(C)C[C@@H](C(N)=O)n1ccnc1-c1cccc2ccccc12,3.149882061 |
| Mol502,Cc1nc(Cl)cc(Nc2cnn(C(C)(C)C)c2)n1,1.329967073 |
| Mol503,CCc1ccc2nc(C)cc(C(=O)N3CC(c4cccnc4)C3)c2c1,2.81682505 |
| Mol504,CC(C)(C)CC(=O)N1CCC(OCCCN)CC1,1.027920136 |
| Mol505,CC(C)NC(=O)Cn1nnnc1C(C)(C)C,1.433481808 |
| Mol506,CCn1nc(Cc2ccc(OC)cc2)nc1Cc1sc(C)nc1C,2.366940067 |
| Mol507,CCONC(=O)c1cncn1-c1ccc(F)cc1,1.027920136 |
| Mol508,O=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCN12)N1CCCc2ccccc21,3.223718093 |
| Mol509,Cc1ccccc1OCCn1c(N)nc2ccccc21,3.245500083 |
| Mol510,Cc1cccc(OC2CCN(CC(N)=O)CC2)c1,1.827317568 |
| Mol511,Clc1cccc(-c2nnc(Cn3cnc4ccccc43)o2)c1,2.086188927 |
| Mol512,COc1cc(F)ccc1-c1ncccc1NC(=O)C(C)C,1.410321618 |
| Mol513,CCCN(C(=O)c1c(CC)noc1C)C1Cc2ccccc2C1,3.37586837 |
| Mol514,O=C(c1ccccc1)N1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1,2.647924522 |
| Mol515,O=C(NCCN1C(=O)CSC1=O)c1cc(Cl)c2c(c1)OCO2,1.919015298 |
| Mol516,CCc1ccc(-c2nccn2Cc2c(C)nn(CC)c2C)o1,3.480109321 |
| Mol517,COc1ccc(Nc2ncnc3sccc23)c(OC)c1,2.781696508 |
| Mol518,Cc1cccc(C(=O)NCC#Cc2ccccc2)n1,2.745873128 |
| Mol519,CN(CCc1ccccn1)c1cnc2ccccc2n1,2.935338453 |
| Mol520,Cc1ccc(Cn2nc(C)c(C(N)=O)c2Cl)cc1,2.554136493 |
| Mol521,O=c1cc(CN2CCCCc3ccccc32)[nH]c2ccnn12,2.682066517 |
| Mol522,O=C1CN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CCN1,1.820017453 |
| Mol523,O=C(Nc1ccn(Cc2ccc(O)cc2C(F)(F)F)n1)c1c(F)cccc1F,2.641752644 |
| Mol524,CC(C)CC(=O)N1CCC(Cc2cccc(-c3cncnc3)c2)(C(=O)NC(C)C)CC1,2.841433307 |
| Mol525,Fc1ccc2[nH]c(CO[C@H]3CN(Cc4ccccc4)C[C@H]3F)nc2c1,2.987411064 |
| Mol526,Cc1ccc(CN2CC[C@H](c3nnc(-c4ccccc4F)o3)C2)o1,2.897800774 |
| Mol527,O=C(CSC1CCCC1)N1CCC(Cn2cccn2)CC1,2.873401407 |
| Mol528,CN(C)C(=O)c1sc2nc(C3(C)CCN(c4ncccn4)CC3)ccc2c1N,2.047259287 |
| Mol529,CSc1ccc(NC(=O)Cn2nc(C3CC3)ccc2=O)cc1,2.78597368 |
| Mol530,Cc1ccc([C@@H]2N[C@@H](Cc3ccccc3)C(=O)N2C)o1,2.179913553 |
| Mol531,Cc1nc2cc(NC(=O)CCc3c(C)nc4c(c(C)nn4C)c3C)ccc2o1,3.04518093 |
| Mol532,O=C(NCCc1ccc2c(c1)OCO2)N1CCc2sccc2C1,3.095081786 |
| Mol533,COc1ccc(C(=O)C2CCN(CC(=O)N(Cc3nc4c(c(=O)[nH]3)COCC4)CC3CC3)CC2)cc1,1.658354878 |
| Mol534,N#Cc1cc(-c2n[nH]c(-c3ccncc3)n2)ccn1,2.109244346 |
| Mol535,Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)o1,2.701628419 |
| Mol536,CN(CCN1CCOC1=O)C(=O)c1cc2cc(Br)ccc2o1,2.031275125 |
| Mol537,CC1(C)OCCn2c1nc1c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12,1.41575771 |
| Mol538,CC(=O)N1CCN(c2ncc(-c3cc(C)no3)c([C@H]3CCCO3)n2)CC1,1.35987341 |
| Mol539,CCSCc1nc(N)c2ccccc2n1,2.081602912 |
| Mol540,CNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)COc2ccccc2)CC1,3.027395685 |
| Mol541,O=C(C1CCC1)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1,3.438004091 |
| Mol542,CC(C)C(=O)Nc1ncn(Cc2cccnc2)n1,1.027920136 |
| Mol543,Cc1csc(NC(=O)CCc2ccncc2)n1,1.656059852 |
| Mol544,CSc1cccc(-c2ccccc2-c2nnc(C)o2)c1,3.391068553 |
| Mol545,O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCC(n2cccc2)CC1,2.437874177 |
| Mol546,Nc1ccc2[nH]c(CCc3ccccc3)nc2c1,1.459422646 |
| Mol547,Cc1ccc2c(C(=O)N(C)C)cc(-c3cnc(C(C)C)nc3)nc2c1C,2.921989596 |
| Mol548,COc1ccc2nc(CN3CCC(O)(c4ccc(C)cc4)CC3)ccc2c1,2.800172495 |
| Mol549,Fc1ccccc1CN1CCN(c2ncccn2)CC1,2.902895597 |
| Mol550,CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1ccc(O)nc1,1.027920136 |
| Mol551,O=C(c1noc2c1CCCC2)N1CCN(c2ncccn2)CC1,3.464581643 |
| Mol552,CN(Cc1ccc2c(c1)OCO2)Cc1ccccc1C#N,3.613144912 |
| Mol553,CC1(C)O[C@@](C)([C@H]2CC3(CCNCC3)CO2)CC[C@@H]1O,1.027920136 |
| Mol554,CC1(C)CN(CC(=O)NCC#N)c2cccc(Cl)c21,2.64729395 |
| Mol555,Cc1ccc(C(=O)NC2CCN(CC#N)CC2)cc1Br,1.989467616 |
| Mol556,Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CC(C)(C)O)n1,1.027920136 |
| Mol557,Cc1csc(N(C(=O)c2cc3c(C)nn(C)c3s2)C2CC2)n1,2.407188583 |
| Mol558,CC(=O)Nc1cccc(OC(=O)N2CCOCC2)c1,1.027920136 |
| Mol559,Cc1cccnc1CNc1ccc(C#N)cc1F,2.207171016 |
| Mol560,CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O,2.854780773 |
| Mol561,Cn1cc(NC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1,1.449940989 |
| Mol562,O=C(Nc1ccc(F)cc1F)N1CCn2c1nc1ccccc12,1.954719971 |
| Mol563,O=C(Cn1c(-c2ccc(F)cc2)nc2ccccc21)N1CCOCC1,1.027920136 |
| Mol564,C[C@@H](CO)Nc1nc(C(F)(F)F)nc2[nH]cnc12,1.027920136 |
| Mol565,CC(=O)N1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1,1.300552009 |
| Mol566,COCc1ccccc1CNc1ccc2cc(C#N)ccc2n1,2.632489686 |
| Mol567,Cc1csc(CN(C)c2ccnc(N(C)C)n2)n1,2.737356467 |
| Mol568,Cn1cc(C#N)cc1-c1nc(C2CC2)nn1CCc1ccccc1,3.271445916 |
| Mol569,Nc1nnc(-c2ccc3c(c2)OCCO3)o1,1.788309812 |
| Mol570,N#CCCCN1CCN(c2cc(C#N)ccn2)CC1,2.255197704 |
| Mol571,CCc1ccccc1NC(=O)CCn1ccnc1-c1ccc2c(c1)OCO2,2.949836759 |
| Mol572,CC(C)Cn1cnc2c1c(=O)[nH]c(=O)n2CC(C)C,1.868850077 |
| Mol573,CCn1ccc2cc(C(=O)N3CCN(c4ccc(C)cc4)C(=O)C3)ccc21,2.415362368 |
| Mol574,Cn1cc(-c2nnc(NCc3ccc4ccccc4c3)o2)cn1,1.665796678 |
| Mol575,Cc1nn(C)c(C)c1NC(=O)CN1CCN(c2nccs2)CC1,1.156458285 |
| Mol576,CCc1c(N)cnn1-c1ccccc1C,2.217907504 |
| Mol577,Cn1ccc(C(=O)N2CCCC(c3cccc(-c4cccc(Cl)c4)n3)C2)n1,2.825639642 |
| Mol578,CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NCc1ccccc1F,3.254931209 |
| Mol579,CNC(=O)CN(C)c1cccc(F)c1C#N,1.181957861 |
| Mol580,O=C(Cc1csc(-c2ccccn2)n1)NC1CCCCCC1,3.3586478 |
| Mol581,CN1C(=O)N(CC(=O)Nc2ccccc2-c2ccccc2)C(=O)C1(C)C,2.447496029 |
| Mol582,Cc1nc(Cl)cc(Nc2ccc3c(c2)N(C)C(=O)CO3)n1,1.800428369 |
| Mol583,COc1cc2nc(N)sc2cc1OC,1.098920479 |
| Mol584,CCOC(=O)C1(Cc2cc(-c3ccc(F)cc3)no2)CCN(Cc2ccccc2O)CC1,2.897525378 |
| Mol585,COc1cc(CN2CCC(c3ccnc(C)n3)CC2)ccc1F,1.867007611 |
| Mol586,Oc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1,1.954305236 |
| Mol587,CNC(=O)c1cn(C)nc1CC1CCN(Cc2cnc(-c3ccc(OC)cc3)nc2)CC1,1.37794338 |
| Mol588,Cc1cc(Oc2ncccn2)ccc1NC(=O)c1c(C)oc(C)c1C,2.086619618 |
| Mol589,Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(O)cc1,2.487220417 |
| Mol590,COc1cccc(-c2nc(C(=O)O)cs2)c1OC,1.027920136 |
| Mol591,COc1ccc2c(c1)C=C(CN1CCC(c3cc(-c4cncnc4)cc(C)n3)CC1)CO2,2.302226997 |
| Mol592,Cc1cc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ncn1,2.094792451 |
| Mol593,O=C(C(c1ccccc1)c1ccccc1)N1CCOCC(Cc2ccc3cnccc3c2)C1,2.81471827 |
| Mol594,COc1ccc(OCC(=O)N2CCN(C)CC2)cc1,2.124425967 |
| Mol595,CC(=O)N1CCN(C(=O)CCc2ccc(-c3ccccc3)[nH]2)CC1,1.775544917 |
| Mol596,Cc1cc(NC(=O)c2cccs2)no1,2.899488912 |
| Mol597,Cc1csc(N(C(=O)c2ccc(-n3cncn3)c(F)c2)C2CC2)n1,2.333148909 |
| Mol598,COc1c(C)cnc(CN(C)S(N)(=O)=O)c1C,1.913729104 |
| Mol599,CCc1ccccc1NC(=O)c1cc(C)nc2onc(C)c12,1.724873637 |
| Mol600,Cc1cc(C(=O)N(C)Cc2ccsc2)no1,2.382701283 |
| Mol601,OCCN1CCC(c2ccncn2)CC1,1.546258799 |
| Mol602,CN(c1ncc(Br)cn1)C1CCS(=O)CC1,1.410541048 |
| Mol603,CCc1ncnc(N(C)Cc2ccc(N)nc2)c1F,1.645648201 |
| Mol604,COc1ncnc2c1CN(Cc1c[nH]nc1-c1ccc(F)cc1)CC2,2.322562459 |
| Mol605,O=C(NCc1cc(F)cc(F)c1)c1ccccn1,1.713036691 |
| Mol606,CN1CCC(n2ncc3[nH]c(-c4ccc5ccccc5c4)nc32)CC1,2.967422537 |
| Mol607,O=C(Cc1ccc2c(c1)CCC2)Nc1nc2ccccc2o1,3.188676267 |
| Mol608,Cc1cc(C(=O)Nc2c(C)nn(C(C)C)c2C)c2ccc(F)cc2n1,1.604139618 |
| Mol609,COCc1cc(-c2nc(CCc3ccccc3)n[nH]2)ccc1OC,3.039764983 |
| Mol610,Cc1nc(C)c2c(C)c(C(=O)N(C)CCN3CCCC3)sc2n1,1.891040997 |
| Mol611,COc1ccccc1CNc1n[nH]c2nc([C@H]3CCCN(CC(=O)N4CCCC4)C3)ccc12,2.625246581 |
| Mol612,Cc1ccc2nc3c(c(C(=O)NCc4cnn(C)c4)c2c1)CCCC3,1.869654071 |
| Mol613,Clc1cc2ncc(-n3ccnc3)nc2cc1Cl,2.127700734 |
| Mol614,CN(Cc1ccncc1)Cc1cc2ccccc2nc1O,2.345599152 |
| Mol615,CCC(CC)NC(=O)c1cc(C)nc2onc(C)c12,1.027920136 |
| Mol616,CCCN(C)C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1,1.647901076 |
| Mol617,CN(CC(N)=O)Cc1cc2c(cc1Br)OCO2,2.511115652 |
| Mol618,CC(C)c1nc2c(n1C)CCN(C(=O)c1cccc(C(F)(F)F)c1F)C2,2.37697822 |
| Mol619,COc1cccc(-c2nc(-c3cccnc3)n[nH]2)c1,1.667714385 |
| Mol620,CC(C)(C)c1ccc(CN2CCC(C(N)=O)CC2)cc1,2.159338557 |
| Mol621,N#Cc1ccc(N2CCc3c(ncn3C3CC3)C2)nc1,1.804228055 |
| Mol622,O=S(=O)(Cc1csc(C2CCCC2)n1)C1CCCC1,3.340824501 |
| Mol623,N#Cc1cc(F)c(N2CCN(CCO)CC2)c(F)c1,1.027920136 |
| Mol624,CC(C)c1nnc(CN2CCN(c3nccs3)CC2)o1,2.086754788 |
| Mol625,O=C(NCc1cccnc1)c1cnn(-c2ccccc2)c1,1.419278183 |
| Mol626,CC(=O)NCC1CCN(C(=O)c2ccc(C)nc2)CC1,1.027920136 |
| Mol627,CC1CCN(C(=O)c2n[nH]c3ccccc23)CC1,2.96168017 |
| Mol628,CN(Cc1cccnc1)Cc1ccc(C#N)o1,1.843039577 |
| Mol629,Nc1nc(N)c2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2n1,2.058813073 |
| Mol630,Cc1ccc(CCNC(=O)N2CC(C)(C)OC(C)(C)C2)cn1,1.882877294 |
| Mol631,CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccc(F)cc1,3.0467651 |
| Mol632,Cc1ccc(F)cc1CNc1cc(C(=O)N(C)C)ccn1,2.600480634 |
| Mol633,COCCc1nc(CCCn2cccn2)n(C2Cc3ccccc3C2)n1,2.740063318 |
| Mol634,Cn1nc(-c2cn(Cc3ccc(CO)cc3)nn2)c2c(Cl)cccc21,2.278977548 |
| Mol635,CC(C)c1nnc(CNC(=O)C2(C)CCC2)n1C,1.027920136 |
| Mol636,CSCC[C@@H](CO)n1ccnc1-c1oc2ccccc2c1C,3.301043893 |
| Mol637,Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)O)c12,1.027920136 |
| Mol638,CCc1nc(CC)n(Cc2nc(C)cs2)n1,1.600286626 |
| Mol639,OCc1ccc(Cn2cc(-c3cc(F)ccc3-n3cccn3)nn2)cc1,2.057521569 |
| Mol640,CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCOCC1,1.027920136 |
| Mol641,Cc1nc(CC(=O)NCc2ccccc2)cs1,1.590696972 |
| Mol642,O=C(Nc1ccc2c(c1)OCCCO2)c1cnn(Cc2ccccc2)c1,2.691960689 |
| Mol643,CC(C)C(=O)N1CC(Cc2nccc3ccn(C)c23)C1,1.715351413 |
| Mol644,COc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccccc4)CC3)n2)cc1,2.774065649 |
| Mol645,CCCN(Cc1ccccc1)C(=O)CC1(N)CCC1,2.860404493 |
| Mol646,CN(C)C1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1,1.027920136 |
| Mol647,Cc1ccc(CNC(=O)CN2CCC(n3nnc4cc(C)ccc43)CC2)cc1,3.179797018 |
| Mol648,COC(=O)N1CCCN(C(=O)C(=O)Nc2cccc(C(C)C)c2)CC1,3.0852995 |
| Mol649,O=C(Nc1ccn(Cc2ccccn2)n1)c1c(F)cccc1I,2.120439016 |
| Mol650,CCN1CCC(Nc2nc(C)cc(C)c2C#N)CC1,3.396260039 |
| Mol651,CS(=O)(=O)CCNC(=O)N1CC2(CCCC2)c2ccccc21,2.284187009 |
| Mol652,O=C(COCC1CC1)N1CCCc2ncccc21,1.832681319 |
| Mol653,O=C(NCc1ccc(F)cc1)c1ccc(-n2ccnc2)nc1,1.477323878 |
| Mol654,O=C(NCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccco1,2.663355048 |
| Mol655,O=C(NC1CCCC1)C(=O)c1ccc2c(c1)CCC2,2.957847591 |
| Mol656,COc1cc(CNC(=O)NC2CCCCC2)cc(OC)c1O,1.027920136 |
| Mol657,COCc1ccccc1CNc1ccc2nnc(-c3ccccc3)n2n1,2.619622305 |
| Mol658,CN1C(=O)N(CC(=O)NCc2ccc(Cl)cc2)C(=O)C12CCCCC2,3.323269224 |
| Mol659,Cc1ccccc1OC1CCN(C(=O)Nc2ccc3c(c2)ncn3C)CC1,1.736531949 |
| Mol660,CC(C)c1nnc(CN2CCN(c3ccccc3Cl)CC2)o1,2.938850824 |
| Mol661,O=C(Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1)c1ccco1,2.006974917 |
| Mol662,Cc1ccc2nc(C)c(-c3nc(C)nn3CCO)cc2c1,1.284566077 |
| Mol663,COc1ccc(-c2nnc3ccc(C(F)(F)F)cn23)cc1OC(C)C,2.122215878 |
| Mol664,COCC(=O)Nc1nc(C)c(C)s1,1.852949412 |
| Mol665,Cc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1,3.490840789 |
| Mol666,CC(C)C(=O)N1CCC(Nc2ncnc3ccsc23)CC1,1.283323848 |
| Mol667,Cc1nc(NCc2ccc(F)c(Cl)c2)n(C)n1,1.551913324 |
| Mol668,O=C(NCc1cccc(F)c1)c1[nH]nnc1-c1ccccc1,1.241397042 |
| Mol669,Cn1ccc2c(C(=O)Nc3ncn(Cc4cccnc4)n3)cccc21,1.490295665 |
| Mol670,c1ccc2c(N3CCn4c(nnc4C4CC4)C3)ncnc2c1,1.027920136 |
| Mol671,CCCC(=O)Nc1ccc(-n2cccn2)nc1,1.502577322 |
| Mol672,CCn1cc(CN2CCC(c3nc(N(C)C)ncc3-c3ccc(OC)cc3)CC2)c(C)n1,2.675280542 |
| Mol673,Cc1ccc(C)c(C(=O)Nc2cnc3c(c2)c(C)nn3C)c1,2.110377561 |
| Mol674,CC(=O)N1CCC(c2ccccn2)CC1,1.027920136 |
| Mol675,O=C(c1ccc(Cn2nnc(-c3cccc(F)c3)n2)cc1)N1CCCC1,2.095615626 |
| Mol676,Cc1ccc2nc(C)c(C(=O)NOCc3ccccc3)cc2c1,2.488759353 |
| Mol677,Cc1ccc(C(=O)C(=O)NC2CCCC2)cc1,2.667588357 |
| Mol678,O=C(CN1CCCC(c2cccc(-c3cccc(Cl)c3)n2)C1)N1CCCC1,2.62188429 |
| Mol679,COc1cccc(CNc2ncc(-c3ccccc3)n2C)c1,3.345169574 |
| Mol680,O=C(CN1CCCC(c2cncc(-c3cccc(Cl)c3)n2)C1)N1CCCC1,3.034963171 |
| Mol681,Cc1nc2ccccc2c(N)c1C(=O)/C=C/c1ccccc1,2.9648011 |
| Mol682,O=C(NC[C@H]1COCc2nc3ccccc3n21)c1ccncc1,2.116690743 |
| Mol683,CCc1ccccc1-c1cn(CCc2cnccn2)nn1,2.461999462 |
| Mol684,O=C(NCc1ccc(F)cc1)c1ccccn1,1.3250228 |
| Mol685,CN1CCN(CCOc2ccccc2N)CC1,2.115344196 |
| Mol686,Cc1cc(C)n(-c2ccc(C(=O)NCc3cccnc3)cc2)n1,1.974971994 |
| Mol687,CNC(=O)CC1CCN(c2ncccn2)CC1,1.027920136 |
| Mol688,Cc1ccc(C(=O)C(=O)Nc2c(C)nn(C)c2C)cc1,2.062220862 |
| Mol689,CCCn1ncnc1-c1ccccc1SC,2.883842495 |
| Mol690,O=C(CCc1cccs1)Nc1ccc(N2CCOCC2)cn1,1.691982757 |
| Mol691,Cc1nccc(-c2cccc(NCC(=O)NCC(=O)N3CCCC3)c2)n1,1.209032197 |
| Mol692,CC(C)C(=O)Nc1ccc2cnn(C(C)C)c2c1,1.746696459 |
| Mol693,O=C(c1ccccc1-n1cccn1)N1CCN(Cc2cccnc2)CC1,2.781462396 |
| Mol694,O=C(O)CCn1c2ccccc2c2ccccc21,1.056218581 |
| Mol695,O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1,1.027920136 |
| Mol696,Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12,2.397602865 |
| Mol697,c1ccc2c(c1)CN(c1cnc3ccccc3n1)CCN2,2.797649026 |
| Mol698,N#Cc1cccnc1NCCc1ccc(F)cc1,3.062367604 |
| Mol699,N#CCCCN1CCC(c2c[nH]c3ccccc23)CC1,3.238583242 |
| Mol700,CCn1c(C)nc2cc(NC(=O)c3ccc(=O)n(CC(=O)N4CCCCC4)c3)ccc21,1.739065768 |
| Mol701,Cc1nn(C)c(C)c1C(=O)NCc1ccccc1,1.027920136 |
| Mol702,CC(C)n1ccc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)n1,1.527023786 |
| Mol703,Cc1nc2cc(NC(=O)Cc3c(C)nc4ccccc4c3C)ccc2o1,2.404046486 |
| Mol704,C[C@@H](c1ccc2ccc(O[C@H]3CC[C@@H](C(F)(F)F)CC3)c(C(F)(F)F)c2c1)N1C2CCC1CC(C(=O)O)C2,1.551718299 |
| Mol705,Cc1ccccc1-n1c(CC2CCN(C(=O)C3CC3)CC2)n[nH]c1=O,1.428750149 |
| Mol706,Cn1c(CNC(=O)Cc2cccc3ccccc23)nc2ccccc21,3.20146677 |
| Mol707,CS(=O)(=O)CCc1nc(C2(c3ccccc3)CC2)nn1-c1ccccc1,2.118403625 |
| Mol708,Cc1nc2ncccn2c1C(=O)N(CC#Cc1ccccc1)C1CCCC1,3.667165383 |
| Mol709,CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCN(C)C(=O)C3)c12,1.317290104 |
| Mol710,O=c1[nH]c2ccccc2n1C1CCN(Cc2nnsc2Cl)CC1,2.92712748 |
| Mol711,COc1ccc2nc(C)nc(N3CC(O)(c4ccc(F)cc4)C3)c2c1,2.670159542 |
| Mol712,Fc1ccc(F)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1,2.611558691 |
| Mol713,c1cc(CN2CCC(c3ccn[nH]3)CC2)ccn1,1.506897209 |
| Mol714,Cc1[nH]c2ccc(Cl)cc2c1CC(=O)N1CCC(Cc2ncncc2C(N)=O)CC1,3.067908864 |
| Mol715,O=C(NCCN1CCC(c2ccccc2)CC1)c1ccc2ncsc2c1,2.034443953 |
| Mol716,c1ccc(-c2noc(NCC3CCC3)n2)cc1,2.87011057 |
| Mol717,c1ccc(-c2n[nH]c(C3CCN(c4cnc5ccccc5n4)CC3)n2)cc1,2.056577102 |
| Mol718,CO[C@H]1CC[C@H](C(=O)NC[C@H]2CC[C@H](c3nnc(-c4nccc5ccccc45)o3)CC2)CC1,2.577812232 |
| Mol719,COc1cccc(OCCCn2cncc2-c2cc3c(cc2OC)OCCCO3)c1,2.026757912 |
| Mol720,COc1ccc(-c2nc(CC(N)=O)sc2C)cc1.Cl,2.045510741 |
| Mol721,O=C1NCCCCC1NC(=O)N1CCc2sccc2C1,1.671635597 |
| Mol722,O=C(O)c1ccc(=O)n(CCc2c[nH]c3ccccc23)c1,1.027920136 |
| Mol723,Cn1ccc(CN2CCC(c3cnccn3)CC2)n1,1.428167203 |
| Mol724,Cc1nccn1-c1ccc(F)cc1CNC(=O)C(C)C,1.757069426 |
| Mol725,O=C(CN1CCSC1=O)Nc1ccccc1F,1.027920136 |
| Mol726,COc1ccc(CNCc2cccc3ccccc23)cc1,2.792058836 |
| Mol727,O=C(NCc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1,2.603805599 |
| Mol728,Cc1noc(NCc2cccc(-c3cccnc3)c2)n1,2.194960894 |
| Mol729,CCCn1cnnc1Cn1ccnc1-c1ccc2occc2c1,1.218929185 |
| Mol730,Cc1ccc(NC(=O)CN(C)C(=O)c2ccccc2F)nc1,2.014104526 |
| Mol731,O=C(CCNc1ncccn1)N1CCc2ccccc2C1,2.164453981 |
| Mol732,CN(Cc1cccc(C#N)c1)Cc1cnn(C)c1,1.027920136 |
| Mol733,Nc1cnc(Cc2ccc(F)cc2)nc1,1.188619167 |
| Mol734,Cc1noc([C@@H]2C[C@H](NC(=O)c3ccc(F)cc3)CN2C)n1,1.213358354 |
| Mol735,Cc1ccc(F)cc1NC(=O)c1cnc2onc(C(C)C)c2c1,2.336083316 |
| Mol736,O=C(CCCc1ccc(F)cc1)N1CCN(c2ccccc2)C(=O)C1,2.246656119 |
| Mol737,Cc1ccsc1CN(C)C(=O)[C@@H]1CCCN1C(=O)NC(C)C,2.550428939 |
| Mol738,CC(C)NC(=O)c1cc(-c2ccccc2)n(-c2ccccn2)n1,1.905758114 |
| Mol739,CS(=O)(=O)NC1CCN(C(=O)NCCc2ccc(F)cc2)CC1,1.787956123 |
| Mol740,Cc1cc(C)c2c(N(C)CCC(C)C)ncnc2n1,3.084600226 |
| Mol741,CN(CC(=O)NC1CC1)C(=O)C1C2CC3CC(C2)CC1C3,2.665527522 |
| Mol742,CCc1nnc(NC(=O)Cc2c(C)noc2C)s1,1.027920136 |
| Mol743,CN1CCCN(c2nc(C(F)(F)F)nc3cc4c(cc23)OCO4)CC1,2.319788729 |
| Mol744,CCn1nccc1CNc1nnc(-c2ccc(OC)cc2)o1,1.881755446 |
| Mol745,Fc1cncc(-c2cnc(NCc3ccc(Cl)c(F)c3)nc2)c1,2.016092742 |
| Mol746,O=C1CCC(=O)N1CCN1CCCCc2ccccc21,3.167644557 |
| Mol747,O=C1CC2(CCN(C(=O)NCc3ccccc3)CC2)Oc2ccccc21,2.79148152 |
| Mol748,O=C(NC1CCCC1)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1,2.666326999 |
| Mol749,O=C(Cc1ccccc1F)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1,2.894272853 |
| Mol750,CO[C@@H](C(=O)Nc1cc2c(C)cc(=O)oc2cc1C)c1ccccc1,2.408757078 |
| Mol751,CCC(=O)NCc1cc(C2CC2)n(C2CCCC2)n1,2.338910472 |
| Mol752,O=C(Nc1nccs1)c1c2c(nc3ccccc13)CCC2,2.678676772 |
| Mol753,CC(C)(C)c1ccc(C2=NC3(CCNCC3)NC2=O)cc1,1.775457526 |
| Mol754,O=C(CSc1ncn[nH]1)N(C1CCCCC1)C1CCCCC1,3.149464835 |
| Mol755,O=C(CCCc1cc(Cl)sc1Cl)N1CCC(O)CC1,2.869850442 |
| Mol756,Cc1cc(C)n(-c2ccc(CNC(=O)C3CCC3)cn2)n1,2.756963037 |
| Mol757,CN1CCC(NS(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)CC1,1.027920136 |
| Mol758,O=C(NCc1ccc2c(c1)OCCO2)c1sccc1C1CC1,3.36540093 |
| Mol759,NC(=O)CN1CCC(Oc2cccc(F)c2)CC1,1.854700676 |
| Mol760,O=S(=O)(N1CCOCC1)N1CCN(Cc2ccccc2F)CC1,2.830240837 |
| Mol761,COc1ccc(-c2nc(C3CCN(C(=O)c4sc(C)nc4C)CC3)[nH]c2C(N)=O)cc1,1.59601398 |
| Mol762,CCn1c(SC)nnc1C1CCN(C)CC1,1.027920136 |
| Mol763,CC(=O)N1CCN(CCNC(=O)N2CCc3sccc3C2)CC1,1.870163865 |
| Mol764,CC(C)NC(=O)N1CC[C@H](NC2=Nc3cc(F)ccc3N(CC(F)F)c3ccc(Cl)cc32)C1,2.89352708 |
| Mol765,Cc1ccccc1CC(=O)N1CCN(C(=O)c2ccccc2)CC1,2.324414164 |
| Mol766,O=C(Nc1ccccc1-n1ccnc1)c1cccs1,1.593784333 |
| Mol767,Cc1nc2c(c(N(C)Cc3ccccc3)n1)CCN(Cc1ccccc1)C2,3.619866751 |
| Mol768,CSc1ccc(-c2ccc3n(c2=O)C[C@@H]2CNC[C@H]3C2)cc1,1.284769013 |
| Mol769,Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCC(S(=O)(=O)C(C)C)CC1,1.153387979 |
| Mol770,COc1ccc(CN2CCN(c3cc(C)nc(N)n3)CC2)cc1OC,1.027920136 |
| Mol771,CCN(C(C)=O)c1ccc(C)cc1C(=O)O,1.027920136 |
| Mol772,CCc1ncc2c(n1)CN(c1ccnc(-c3ccccc3)n1)CC2,2.413735517 |
| Mol773,CON(C)C(=O)c1cccc2c(C)c(C)[nH]c12,2.291526465 |
| Mol774,CC(C)c1nnc(-c2ccc(-c3ccccc3)nc2)n1-c1cccc2nonc12,2.714295384 |
| Mol775,O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4occc4c3)cc2)C1,2.003908383 |
| Mol776,N#Cc1ccccc1-c1ccc(-c2nccn2-c2cccnc2)o1,2.856567586 |
| Mol777,Cc1cc(CNc2ncc(C(F)(F)F)cc2Cl)no1,2.108632666 |
| Mol778,COCCNC(=O)CN1CCN(c2nccn2-c2cccc(Cl)c2)CC1,2.547935844 |
| Mol779,Cc1cc(NC(=O)CCc2c(C)nn(C)c2C)no1,1.652922888 |
| Mol780,CCCn1ncc2[nH]c(-c3cc(Cn4cncn4)c(C)cc3C)nc21,2.298595479 |
| Mol781,CCc1nnsc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1,2.1507902 |
| Mol782,OC1CCN(c2ncc(-c3cnccn3)c(-c3cccs3)n2)CC1,1.027920136 |
| Mol783,CN(CC(=O)Nc1cc(F)cc(F)c1)c1ccnc(C(N)=O)c1,1.629715333 |
| Mol784,CSc1ncccc1C(=O)Nc1ccc(N2CCCCC2=O)cc1,1.251516552 |
| Mol785,CCC1(CC)NC(=O)N(CC(=O)N2CCOCC3(CCCC3)C2)C1=O,2.336153418 |
| Mol786,O=C(Cc1ccc(Cl)c(Cl)c1)N1CC(n2ccnn2)C1,1.714052997 |
| Mol787,Cc1oc(C)c(C(=O)Nc2ccn(C)n2)c1C,1.971651518 |
| Mol788,CN(C)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cn1,2.565557405 |
| Mol789,Cc1nc(C)c2c(C)c(C(=O)N(C)Cc3ccc(C)o3)sc2n1,3.460262467 |
| Mol790,Cc1cccn(Cc2cccc(C#N)c2)c1=O,1.459844642 |
| Mol791,Cc1cnc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-c2cscn2)cc1,1.541416977 |
| Mol792,Cc1nc(N2CCN(C)CC2)nc(C)c1NC(=O)C1CCCCC1,1.027920136 |
| Mol793,CC(C)(O)C(=O)N1CCC(c2ccc3c(NCc4ccccc4F)n[nH]c3n2)CC1,1.843743412 |
| Mol794,CCCc1cc(N2CCc3c(nc(C(C)C)n3C)C2)n2ncnc2n1,2.261824114 |
| Mol795,CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(-n2ccnc2)nc1,3.220411988 |
| Mol796,Cc1sc(NC(=O)CN2CCOC(C3CCCO3)C2)c(C)c1C,2.267669121 |
| Mol797,Cn1ccnc1CNc1cc(Br)ccc1-n1cccn1,2.463495823 |
| Mol798,O[C@@H]1CO[C@H]2C[C@@H]1Nc1c(-c3ccccc3)cccc12,2.564489707 |
| Mol799,O=C(NCCNc1ncccc1C(F)(F)F)c1cnc2ccccn2c1=O,2.767166259 |
| Mol800,O=C(Nc1nncs1)c1cccnc1,1.027920136 |
| Mol801,CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CC[C@H](N)C3)c12,1.027920136 |
| Mol802,Cc1ccc(NC(=O)OC(C)(C)C)c2c1N(C(=O)[C@H]1CCCO1)CCC2,2.575941431 |
| Mol803,Fc1ccc(F)c(-c2nc(C3CCOCC3)nn2-c2cccnc2)c1,1.862375899 |
| Mol804,Cc1nc([C@H]2CC[C@H](CNC(=O)CN3CCC(c4ccccc4)CC3)CC2)ccc1C(N)=O,2.590620063 |
| Mol805,O=C(NC1(c2ccccc2)CCC1)c1cc(C2CC2)on1,2.283452753 |
| Mol806,CN(Cc1nnc(C2CC2)n1C)C(=O)C1C2CC3CC(C2)CC1C3,2.97812891 |
| Mol807,CN(Cc1nc(N)c2ccccc2n1)Cc1ccc(F)cc1F,3.294209101 |
| Mol808,CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12,2.26011911 |
| Mol809,COc1ccc(CCn2c(C3CC3)n[nH]c2=O)cc1,2.563022817 |
| Mol810,Cn1c(=O)n(C)c2cc(CN3CCC(c4ccc(Cc5ccccc5F)cn4)CC3)ccc21,2.033885953 |
| Mol811,O=C(NC1CC1)c1cccnc1Oc1ccccc1,1.06807449 |
| Mol812,N#Cc1ccc(CN2CC(n3cccn3)C2)cc1,1.316138156 |
| Mol813,NC(=O)Cn1ccc(-c2ccccc2)n1,1.027920136 |
| Mol814,COc1ccc(C(=O)Cn2c(=O)n(-c3ccccc3F)c3nc(C)nc(C(N)=O)c32)cc1,1.880859305 |
| Mol815,Cc1cccc(NC(=O)c2cccc3ncccc23)c1,2.189032477 |
| Mol816,CCN(Cc1ccncc1)[C@@H]1CN(C(=O)c2ccccc2)C[C@H]1O,2.557970122 |
| Mol817,O=C(O)CNc1nc(-c2ccccc2)nc2ccccc12,1.467815215 |
| Mol818,COCCS(=O)(=O)N1CCC2(Cc3ccccc3C2)C1,2.950686561 |
| Mol819,Cc1cnn(Cc2nnc(-c3ccccc3)s2)c1,2.652164117 |
| Mol820,Cc1cc(N(C)Cc2ccc(N)nc2)nc(-c2ccncc2)n1,2.516203412 |
| Mol821,O=C(NCC1CCC1)c1ccc(-n2ccnc2)nn1,1.701403906 |
| Mol822,CC1(c2nnc(-c3cc(-c4ccccc4)n[nH]3)o2)CCOCC1,2.252770531 |
| Mol823,COc1ccc2nc(C)c(C(=O)Nc3ccccc3N3CCCC3)cc2c1,2.993340984 |
| Mol824,Cc1nnsc1CN(C)c1ccc2cc[nH]c2n1,2.533792388 |
| Mol825,Cn1cnnc1CNc1ccccc1C#N,1.027920136 |
| Mol826,O=C(c1ccc(O)nc1)N1CCN(c2ncccn2)CC1,1.027920136 |
| Mol827,COc1ccc(NC(=O)c2snnc2C)c(OC)c1,2.259519818 |
| Mol828,Cc1ccc(F)c(N(C#N)Cc2nccn2C(F)F)c1,2.351605005 |
| Mol829,CC(=O)N1CCCN(C(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)CC1,2.965628728 |
| Mol830,O=S(=O)(c1cn[nH]c1)N1CCCC(c2cccc(-c3cccc(Cl)c3)n2)C1,2.59522167 |
| Mol831,CN(C)c1ncn(-c2cccc(N)c2)n1,1.404611383 |
| Mol832,Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1,2.847664567 |
| Mol833,c1ccc(-c2cc3c(N4CCC(c5ncc[nH]5)CC4)ncnc3s2)cc1,3.190827911 |
| Mol834,C=CCNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)c2cccnc2)CC1,2.746224617 |
| Mol835,Cc1ccc(-c2nc(CN3CCOCC3)n(Cc3ccc(F)cc3)n2)o1,3.144640514 |
| Mol836,COCC(=O)N1CC[C@H](c2nnc(-c3ccc(C)cc3)o2)C1,1.027920136 |
| Mol837,CCC1(O)CN(c2ncnc3c2c(Br)nn3C)C1,1.546530325 |
| Mol838,Cc1cccc(NC(=O)c2ccc3ccccc3c2)n1,2.320545072 |
| Mol839,c1ccc(-c2c(-c3ccc(OCCN4CCCC4)cc3)[nH]c3ncnc(NCC4SCCS4)c23)cc1,2.218149352 |
| Mol840,O=C(Nc1cccc(-c2cnco2)c1)C1(c2cccc(F)c2)CCOCC1,2.409268499 |
| Mol841,CC(=O)NCC1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1,1.467030635 |
| Mol842,Cn1cc(CCNC(=O)N2CCc3sccc3C2)cn1,1.834827466 |
| Mol843,Cc1cc(CCCC(=O)NC[C@H]2CC[C@H](c3ccc(C(N)=O)c(C)n3)CC2)ccc1F,2.90742426 |
| Mol844,COC1CCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1,2.19830236 |
| Mol845,Cc1cccc(Oc2cc(CN)ccn2)c1C,2.721654835 |
| Mol846,CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12,2.150962029 |
| Mol847,Cc1ccc2c(CC(=O)N(C)Cc3nnc4n3CCC4)coc2c1C,2.813301376 |
| Mol848,CC(C)(C)c1nnnn1CC(=O)NC12CC3CC(CC(C3)C1)C2,2.714415269 |
| Mol849,O=C(O)c1ccccc1-n1cnc(CN2CCCC2)c1,1.027920136 |
| Mol850,COc1cccc(CC(=O)Nc2ccc3nc(C)sc3c2)c1,2.533486077 |
| Mol851,Cc1cc(C)c(CC(=O)N2CC(CO)C2)c(C)c1,1.192316505 |
| Mol852,CC(C)C[C@@H](CO)n1cc(-c2ccccc2Cn2cccn2)nn1,2.709698107 |
| Mol853,Cc1sc2nc(CN3CCCC3)nc(N)c2c1C,3.440757997 |
| Mol854,CC(C)c1nc2c(n1C)CCN(c1ncnc3ccccc13)C2,2.6042509 |
| Mol855,Cc1nn(CCC#N)c(C)c1Oc1ccccc1O,2.048748576 |
| Mol856,OC1(Cn2nnc(-c3cccnc3)n2)CCCCC1,2.151700732 |
| Mol857,Cc1cc(C(=O)NCCc2ccccn2)c(C)s1,2.365796748 |
| Mol858,Nc1ccc(Oc2ccccc2F)nc1,1.417604535 |
| Mol859,Cn1c(-c2ccc(F)cc2)cnc1NC(=O)CCC(=O)N1CC(=O)Nc2ccccc21,2.508423321 |
| Mol860,Cc1nc(CN2C(=O)CN(C3CCCC3)C2=O)nc2ccccc12,2.91532859 |
| Mol861,CCOC(=O)c1cccnc1-c1cccc2ccnn12,1.903442708 |
| Mol862,COc1cc2c(cc1OC)CN(C(=O)C1CCCN(C(=O)Nc3ccccc3)C1)CC2,1.813761073 |
| Mol863,NC(=O)c1ccccc1NC(=O)CN1CCCC(c2nc3ccccc3o2)C1,2.917721815 |
| Mol864,COc1cc2c(cc1OC)CN(C(=O)C1CCCN(S(=O)(=O)c3ccc(F)cc3)C1)CC2,3.085767077 |
| Mol865,O=C(c1cccc2ccccc12)N1CCCC(C(=O)N2CCc3ccccc3C2)C1,3.650157389 |
| Mol866,CCCS(=O)(=O)N1CCCC(C(=O)N2CCc3ccccc3C2)C1,3.004767908 |
| Mol867,O=C(CN1CCCC(c2nc3ccccc3o2)C1)Nc1ccc(OC(F)(F)F)cc1,2.695767901 |
| Mol868,CC(C(=O)Nc1ccc(C(N)=O)cc1)N1CCCC(c2nc3ccccc3o2)C1,3.338218563 |
| Mol869,Cc1ccc(NC(=O)CN2CCCC(c3nc4ccccc4o3)C2)cc1C,3.41640083 |
| Mol870,Cc1nc(O)cc(C2CN(C3CCCCC3)C2)n1,1.027920136 |
| Mol871,CN(C(=O)C1CCN(c2ncccn2)CC1)C1CCCCCCC1,3.589768031 |
| Mol872,CCS(=O)(=O)N1CCC(C(=O)N(C)C2CCCCCCC2)CC1,2.932890102 |
| Mol873,O=C(CCCc1cc(Cl)sc1Cl)N1CC[C@H](O)C1,2.703739201 |
| Mol874,COc1ccnc(N2CC(n3nc(C)cc3C)C2)n1,1.645540161 |
| Mol875,Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)COc3ccccc3F)C2)n1,2.705097036 |
| Mol876,COCCOCc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1,2.131021661 |
| Mol877,Cc1cc(C(=O)N2CCOC(C)(C)C2)cc(C)c1OCc1cccnc1,3.337597415 |
| Mol878,COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1,3.450356591 |
| Mol879,Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCOCC3)C2)cc1,2.764442906 |
| Mol880,COc1ccc(CNC(=O)CCCOc2ccc(C(C)=O)cc2)cc1,2.80904836 |
| Mol881,CCc1ccc(-c2nccn2CC(=O)Nc2ccc(C)cc2F)nc1,2.795620753 |
| Mol882,Cc1cc(NC(=O)C2CCN(c3ccncc3Cl)CC2)no1,2.268631787 |
| Mol883,Fc1cccc(CN2CCN(c3ncccn3)CC2)c1,3.048810681 |
| Mol884,CCN(Cc1ccccc1)C(=O)c1ccc(O)cc1O,2.860846881 |
| Mol885,CCN(Cc1ccccc1)C(=O)c1cccnc1N,2.23981482 |
| Mol886,Cc1nc(-c2cc(C)on2)n(CCc2ccccc2)n1,3.597022606 |
| Mol887,CCCNC(=O)c1ccnc(N(C)C)c1,1.92171248 |
| Mol888,O=C(NCC(=O)N1CCN(C2CC2)CC1)c1ccccc1,1.027920136 |
| Mol889,CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O,1.249442961 |
| Mol890,CCN(C(=O)c1cc(NC(C)=O)ccc1F)C1CCCC1,3.34388635 |
| Mol891,Cc1ccccc1C(=O)Nc1nc(C)c(C)s1,2.447708306 |
| Mol892,CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O,1.702215059 |
| Mol893,COc1ccccc1C(=O)Nc1cccc(C#N)c1,1.908168566 |
| Mol894,CO[C@H]1COCCN(C(=O)c2cccnc2)C1,1.027920136 |
| Mol895,CC(=O)Nc1ccc(C(=O)N2CCc3ncncc3C2)cc1,1.027920136 |
| Mol896,Cn1ccc(NC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)n1,2.188430657 |
| Mol897,CC(C)c1nnc(NCc2ccn(C)c2)o1,1.799926107 |
| Mol898,COc1cc(/C=C2\CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1,1.919411166 |
| Mol899,CC(C)N1CCC(O)(c2ccccc2F)CC1,2.558468563 |
| Mol900,CN(Cc1cnn(C)c1)C(=O)c1ccccc1-c1ccccc1C#N,1.027920136 |
| Mol901,O=C(CN1CCc2ccccc21)N1CCC(c2nc3ccccc3[nH]2)CC1,3.070491144 |
| Mol902,O=c1[nH]c2ccccc2n1C1CCN(CCc2ccccn2)CC1,2.080686 |
| Mol903,CC1Cc2ccccc2N1C(=O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1,3.013243501 |
| Mol904,Cc1ccc(NC(=O)C(C)(C)c2ccccc2)nc1,2.796398776 |
| Mol905,O=C(NCc1ccc(F)cc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1,2.123668742 |
| Mol906,COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc32)ncc1C#N,1.379740501 |
| Mol907,CC(C)(C(=O)NCc1ccccn1)c1ccccc1,2.139107371 |
| Mol908,O=C(Nc1ccccc1-n1ccnc1)c1ccc(F)cc1,1.605778955 |
| Mol909,O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(NC(=O)c2cccs2)cc1,1.027920136 |
| Mol910,CC(C(=O)N1CCc2sccc2C1)N1CCCN(c2ccccc2C#N)CC1,3.626562181 |
| Mol911,COc1ccc(C(=O)N(C)Cc2nccn2C)c(F)c1,1.730426945 |
| Mol912,CC(C)CN1C(=O)C(=O)N(Cc2ccccn2)C1=O,1.453944862 |
| Mol913,CON(C)C(=O)CCc1c(C)nn(C)c1C,1.451279719 |
| Mol914,CN1CCN(c2ncncc2-c2nc(-c3ccccc3)no2)CC1,2.684593146 |
| Mol915,O=C(CNc1ccc(C(=O)N2CCCC2)cc1)N1CCCCC1,1.966859486 |
| Mol916,COc1ccc(C)cc1-c1cccnc1O,1.423180315 |
| Mol917,N#Cc1cccc(-c2ccc3[nH]ccc3c2)n1,2.817485378 |
| Mol918,Cc1ccc(-c2noc3nc(C)cc(C(=O)O)c23)cc1,1.027920136 |
| Mol919,O=C(O)c1nc(-c2ccccc2)oc1-c1ccccc1,1.027920136 |
| Mol920,O=C(c1cccs1)N1C[C@@H]2CCCN(C(=O)c3cccs3)[C@@H]2C1,2.177813437 |
| Mol921,COc1ccc(C)cc1-n1ccc(C(=O)NC(C)C)n1,2.524216914 |
| Mol922,CC(C)c1csc(NC(=O)C2CCN(c3ncccn3)CC2)n1,2.427534794 |
| Mol923,CN1CCN(C(=O)C2(NC(=O)c3ccc(C(F)(F)F)cc3)CCCC2)CC1,1.027920136 |
| Mol924,CN(CCc1ccccn1)C(=O)Nc1nncs1,1.027920136 |
| Mol925,CC1CCN(Cc2ccc(NC(=O)c3ccccn3)cc2)CC1,1.208763733 |
| Mol926,COc1ccc(CNc2ncc(-c3ccc4c(c3)OCO4)n2C)c(OC)c1,3.202609543 |
| Mol927,O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1,2.008417048 |
| Mol928,CN(C)C(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1,1.839905218 |
| Mol929,Cc1cccc(NC(=O)CN(C)c2ncccc2F)n1,2.606319011 |
| Mol930,CCN(CC)C(=O)c1ccc(NC(C)=O)cc1,1.409070438 |
| Mol931,C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,1.764766252 |
| Mol932,Cc1ccc(C)c(S(=O)(=O)N2CCCN(CCn3cccn3)CC2)c1,3.304158864 |
| Mol933,CCOCC(=O)N1CCC2(CCc3ccccc3O2)CC1,2.912676313 |
| Mol934,CCNC(=O)N1CCC2(CCc3ccccc3O2)CC1,2.946536266 |
| Mol935,CCOc1ccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)cc1,2.654183283 |
| Mol936,CCc1ccc(S(=O)(=O)NCc2ccnc(N3CCCC3)n2)cc1,3.31341266 |
| Mol937,Cc1noc(C2CCN(C(=O)C3(c4cccc(F)c4)CCC3)CC2)n1,3.388510958 |
| Mol938,Fc1ccc(NCc2cccc(OCCN3CCOCC3)c2)nc1,2.447650986 |
| Mol939,Cc1ccccc1-n1nc(C(C)(C)C)cc1N,1.027920136 |
| Mol940,COc1cccc(CN2CCC(Cc3ccc(-c4cccnc4)cc3)(C(N)=O)CC2)c1,2.799777382 |
| Mol941,Cc1cccn(Cc2cccnc2)c1=O,1.027920136 |
| Mol942,c1nc(NC2CCN(C3CC3)CC2)c2sccc2n1,1.906157193 |
| Mol943,Cc1cnn(CC2CC2)c1NC(=O)/C=C/c1ccccc1,2.502889848 |
| Mol944,O=C(NCc1nncn1-c1ccccc1)C1CCCC1,1.087568476 |
| Mol945,Cc1nccn1CCCN1C(=O)SC(C)(C)C1=O,1.919046696 |
| Mol946,Cc1ccc(-c2ccccc2-c2nc3c(cnn3C3CCN(C)CC3)[nH]2)o1,1.999973942 |
| Mol947,Cc1ccc(C)c2c(O)cc(CN3CC(c4ccccn4)C3)nc12,3.021670479 |
| Mol948,COCc1nc(-c2cc(F)ccc2F)c(C)s1,2.628320459 |
| Mol949,Cn1ncc2c(Oc3cccc(C(C)(C)C)c3)ncnc21,2.667123137 |
| Mol950,COc1ccc(-c2noc([C@@H]3CCCN3Cc3cccnc3)n2)cn1,3.09247396 |
| Mol951,N#Cc1ccccc1Cn1nnc(-c2ccccc2)n1,2.324819331 |
| Mol952,Cc1cccn(Cc2ccccc2F)c1=O,1.783167226 |
| Mol953,N#CCCN(C(=O)c1sccc1C#N)C12CC3CC(CC(C3)C1)C2,3.203705577 |
| Mol954,CN(Cc1ccccn1)c1nc2ccccc2o1,2.557217174 |
| Mol955,O=C(NCC#CCN1CCc2ccccc2C1)NCc1ccc(F)cc1,2.736404471 |
| Mol956,Cc1ccc(C(=O)NCC#Cc2ccccc2)cn1,1.274134748 |
| Mol957,COc1ccc(CNc2c(-c3ccc(OC)c(OC)c3)nc3cnccn23)cc1,3.289164929 |
| Mol958,Cc1cc(C)nc(NC(=O)N(C)C2CCC2)c1,2.247907013 |
| Mol959,CCCCN(C)C(=O)Nc1cc(C)ccn1,2.353716244 |
| Mol960,Cn1cncc1CCNC(=O)[C@H]1CC1(C)C,1.027920136 |
| Mol961,CC(C)(C)C(=O)N1CCC(NS(C)(=O)=O)CC1,1.027920136 |
| Mol962,CC1(C)Cc2cc(CN3CCC4(CC3)NC(=O)N(Cc3ccccc3)C4=O)ccc2O1,2.468611667 |
| Mol963,Cc1oc(C)c(C(=O)N(C)Cc2ccccc2N2CCOCC2)c1C,3.763435781 |
| Mol964,c1ccc(CCc2n[nH]c(-c3cccc4cnccc34)n2)cc1,2.646264494 |
| Mol965,COc1cc2cc(N)c(C3CCN(C(=O)C(C)(C)C)CC3)nc2cc1OC,1.63856912 |
| Mol966,Nc1nncc(-c2ccccc2OC(F)F)n1,1.027920136 |
| Mol967,Cc1cccc(C(=O)N(C)CCc2cnccn2)c1,2.150455552 |
| Mol968,O=C(C1CCCN(Cc2cc3c(cc2O)OCO3)C1)N1CCOCC1,1.720804062 |
| Mol969,O=C(NCc1ncc(-c2ccccc2)o1)C1CCCCC1,2.824888272 |
| Mol970,CC1CCN(CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)CC1,2.498096801 |
| Mol971,CNC(=O)Cn1ccc2cc(OC)ccc21,1.999652425 |
| Mol972,C#CCNC(=O)c1cc(C(C)C)nn1CC,1.094610863 |
| Mol973,CCOC(=O)N1CCN(C(=O)Nc2cccc3c2CCCC3)CC1,2.595324234 |
| Mol974,Cc1cccc2sc(NC(=O)C(C)(C)C)nc12,2.31700345 |
| Mol975,Cc1cccc(NC(=O)c2ccccc2-c2ccccc2)n1,2.836297525 |
| Mol976,Cc1nc(N2CCc3c(ncn3C)C2)c2c(C)c(C)sc2n1,2.816373226 |
| Mol977,Cc1sc(-c2ccccn2)nc1-c1ccc(NC(=O)C(C)C)cc1,1.688019161 |
| Mol978,Cc1c(C(=O)NC2CCN(CC3CCCCC3)CC2)cnn1C,1.027920136 |
| Mol979,COc1cc(F)c(NCC(=O)Nc2ccc(C)cc2)cc1OC,2.42911571 |
| Mol980,CC(=O)N1CCC(C(=O)Nc2nccs2)(c2ccccc2)CC1,2.372663501 |
| Mol981,O=C(NC[C@H]1CCN(c2ccccc2)C1)N1CCc2sccc2C1,3.399066496 |
| Mol982,O=C(NCC1=CCCN(Cc2cc(F)ccc2Cl)C1)c1ccco1,3.214697381 |
| Mol983,c1ccc(Cc2nnc(NC3CCOCC3)s2)cc1,1.313846138 |
| Mol984,Cc1ccc(CCNC(=O)c2ccncc2)o1,1.718402031 |
| Mol985,CC(C)(O)CNc1ncc(-c2ccnc(Nc3ccnc(Cl)c3)n2)c(CC2CC2)n1,2.172588338 |
| Mol986,NC(=O)C1CCN(C(=O)CCc2ccc(Cl)cc2)CC1,2.131159751 |
| Mol987,O=C(CCc1cc2ccccc2o1)N1CCN(c2cnccn2)CC1,2.696762531 |
| Mol988,COc1cccc(N(C)CCC(=O)N2CCC(c3ccc(-c4ccc(N)nc4)cn3)CC2)c1,3.247109216 |
| Mol989,CC1(C)COCCN1Cc1cnn(-c2ccccc2)n1,3.02917754 |
| Mol990,CN(CC(=O)Nc1ccncc1)C1CCCC1,2.594630077 |
| Mol991,CCn1cc(NC(=O)c2ccccc2C)cn1,1.027920136 |
| Mol992,CC(C)[C@H](Nc1ncc(Cl)cn1)C(=O)N1CCCC1,2.256563816 |
| Mol993,Cc1sc2nc(CN3CCOCC3)nc(N3CCN(c4ccncc4)CC3)c2c1C,2.448822219 |
| Mol994,COc1ccccc1-c1nn(-c2ccccc2)cc1CO,2.57334512 |
| Mol995,CCc1nc(CN2C(=O)COc3ccc(F)cc32)cs1,3.096984358 |
| Mol996,CCCCn1nc(-c2ccc(C)o2)nc1CNC,2.37857776 |
| Mol997,CC(=O)NCCCOc1ccc(CN2C[C@H](O)[C@@H](Oc3cccc(C)c3)C2)cc1,2.742940262 |
| Mol998,NCc1cccnc1OCc1ccccc1,2.873106018 |
| Mol999,Fc1ccc(-n2nc(C3CCOCC3)nc2-c2cn[nH]c2)c(F)c1,1.79698346 |
| Mol1000,CC(C)(C)c1nc(Cn2nnc3ccccc3c2=O)no1,2.076582194 |
| Mol1001,O=C(CN1CCOC(c2ccc(F)cc2)C1)Nc1ccccc1OC(F)F,2.753110976 |
| Mol1002,COc1ccc(NC(=O)C(C)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1,3.286232753 |
| Mol1003,Cc1ccc(C(=O)N(C)C)cc1NS(C)(=O)=O,1.027920136 |
| Mol1004,CS(=O)(=O)N1CC(c2n[nH]c3ncccc23)C1,1.027920136 |
| Mol1005,CN1C(=O)COc2ccc(NC(=O)CCN3C(=O)COc4ccc(Cl)cc43)cc21,3.066508924 |
| Mol1006,N=C(N)N/N=C/c1c(Cl)cccc1Cl,1.886518925 |
| Mol1007,CCOC(=O)Cc1c(C)[nH]c2c(-c3ccccc3)cnn2c1=O,1.95240494 |
| Mol1008,Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2Cc1cn[nH]c1,2.020609853 |
| Mol1009,O=C1N=C2C=CC=CN2C12Cc1ccccc1C2,1.027920136 |
| Mol1010,c1cc2cc[nH]c2c(CC2CN(C3CCCC3)C2)n1,1.905558437 |
| Mol1011,COc1ccc(-c2csc3ncnc(Oc4ccc(C)nc4)c23)cc1,2.504792896 |
| Mol1012,Cc1n[nH]c(C)c1Cc1ccc(NCCC(C)C)cc1,2.684802289 |
| Mol1013,N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc2nccnc2c1,1.746688677 |
| Mol1014,O=C1Oc2nc3cc4c(cc3cc2CN1CCN1CCOCC1)OCCO4,1.027920136 |
| Mol1015,CC(C)(C)c1ccc(=O)n(CC2CN(CC3(O)CCCC3)C2)n1,2.039992793 |
| Mol1016,O=c1ccc(C2CC2)nn1CC1CN(CC2(O)CCCC2)C1,1.924418858 |
| Mol1017,Cc1nnc(NCc2cccnc2)c2ccccc12,1.711326287 |
| Mol1018,Cc1c(C)n(Cc2ccccc2)c2ncnc(N)c12,2.712478812 |
| Mol1019,CCCCc1c(C)[nH]c2nc(N(Cc3cccs3)C(C)=O)nn2c1=O,1.908216853 |
| Mol1020,O=c1c2c(nc3ccccn13)CCN(S(=O)(=O)C1CCCCC1)C2,3.041562816 |
| Mol1021,CN1CCC(NC(=O)COc2ccc(C#N)cc2)CC1,1.027920136 |
| Mol1022,CC(C)c1nc(O)c2nnn(C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)c2n1,2.448144929 |
| Mol1023,O=C(NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)N1CCC1,1.422409257 |
| Mol1024,CNC(=O)c1cccc(Cn2nnc(-c3ccccc3Cl)n2)c1,2.889505633 |
| Mol1025,CN(C(=O)c1cncc(F)c1)c1cccc2ncccc12,2.128321709 |
| Mol1026,Cc1ccc(NS(C)(=O)=O)c(C(=O)N(C)c2ccc3ccccc3c2)c1,3.042626302 |
| Mol1027,COc1ccc(-c2cn3c4ccccc4nc3n2CCO)cc1,3.07726468 |
| Mol1028,Cc1ccc(C(=O)NCCc2csc(C)n2)cn1,1.051846838 |
| Mol1029,O=C(NCCc1ccccc1)c1cnccn1,1.463071381 |
| Mol1030,CN(C)C(=O)OCCN1CCC(c2c[nH]c3ncccc23)CC1,2.006089348 |
| Mol1031,CN(Cc1ccc(Br)o1)C(=O)CN1CCCC1=O,1.222560409 |
| Mol1032,Cc1nc(CC2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc(NC2CCCC2)n1,3.38371001 |
| Mol1033,N#Cc1cccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(Cc4cccs4)C2)C3)c1,3.301600935 |
| Mol1034,CN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(Cn2ccnc2)c1,3.180541325 |
| Mol1035,Cc1cnc(NCc2ccccc2-n2ccnc2)nc1N(C)C,2.686881049 |
| Mol1036,COc1ccc2ccccc2c1CNC(=O)c1cnc(C2CC2)nc1,2.645033982 |
| Mol1037,CSc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)c3ccncc3)C2)cc1,2.553197076 |
| Mol1038,COc1ccc(-c2ccc(CN(CCN3CCOCC3)Cc3cccnc3)cc2)cc1,3.199491614 |
| Mol1039,COc1ccc(C2(NCc3cccc4ncccc34)CC2)cc1,3.12682501 |
| Mol1040,CC(=O)c1ccc(OCCCCN2CCCC2)cc1,2.656148052 |
| Mol1041,O=C(O)c1cc(/C=C/c2csnn2)nc2ccccc12,1.027920136 |
| Mol1042,CSCc1csc(NC(C)=O)n1,2.394859516 |
| Mol1043,CN(C)c1cc(CNc2ccc(C#N)cn2)ccn1,1.975257136 |
| Mol1044,CC(C)(C)n1ncc(C(=O)N2CCCn3ncnc32)c1C(F)(F)F,2.574546325 |
| Mol1045,c1cnc(-n2cccn2)c(CNC2CCCC2)c1,1.605434345 |
| Mol1046,CCc1nnc(Oc2cccnc2)c(C#N)c1CC,1.333507729 |
| Mol1047,O=C(CSc1nnc(-c2cccs2)[nH]1)N1CCCCCC1,2.567835354 |
| Mol1048,Cc1nc(N(C)C)nc(C)c1NC(=O)C1CCCCC1,1.877163941 |
| Mol1049,COc1ccccc1-c1nnc([C@H]2CCN(Cc3ccccc3C)C2)o1,3.503921088 |
| Mol1050,Cc1ccc2oc([C@H]3CCN(Cc4cccs4)C3)nc2c1,3.301915487 |
| Mol1051,CCc1cnc(C)nc1-c1ccc(-c2ccn[nH]2)cc1,1.875188638 |
| Mol1052,O=C(Nc1ccc(N2CCOCC2)nc1)N1CCc2sccc2C1,2.037753092 |
| Mol1053,Cc1cn(CCN2CCN(c3ccccc3-c3cc(C#N)cc(C(=O)NCCCN4CCCC4)c3)CC2)c2ccccc12,2.279532347 |
| Mol1054,CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1.CS(=O)(=O)O,2.028742009 |
| Mol1055,CC(C)(C)C[C@@H]1COCc2nc(OCc3ccccn3)cc(=O)n21,2.433891387 |
| Mol1056,O=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2nc(Cl)ccc2Cl)CC1,1.367616792 |
| Mol1057,COc1ccc(F)cc1CN1CCC(n2c(=O)[nH]c3ccccc32)CC1,3.172893239 |
| Mol1058,O=c1[nH]c2ccccc2n1C1CCN(CCOc2ccccc2)CC1,2.552304327 |
| Mol1059,CC(=O)Nc1cc(CCC2CCNCC2)ccn1,1.027920136 |
| Mol1060,CC(C)Cc1sc(N)nc1-c1ccc(P(=O)(O)O)o1,1.027920136 |
| Mol1061,O=c1c(-n2ccnn2)c[nH]n1-c1cc(N2CCOCC2)ncn1,1.660476525 |
| Mol1062,CC(C)(C)NC(=O)Cn1nc(C(c2ccccc2)c2ccccc2)oc1=O,2.873526944 |
| Mol1063,Cc1ccccc1CSc1ccc(-c2ccccn2)nn1,2.729890168 |
| Mol1064,CC(C)c1noc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)n1,2.274859546 |
| Mol1065,O=C(c1ccccc1)N1CCN2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1,1.896779666 |
| Mol1066,CCc1cc(N(C)Cc2ccc(N)nc2)nc(C)n1,1.027920136 |
| Mol1067,CCC1(O)CN(c2ncccc2C#N)C1,1.397783635 |
| Mol1068,Cc1ccc(C(=O)O)cc1NS(=O)(=O)c1csc(C(=O)Nc2ccccc2)c1,1.027920136 |
| Mol1069,O=C1CC[C@H](O)[C@@H](c2cccc(Cl)c2)N1Cc1ccccc1,2.653160395 |
| Mol1070,CC(C)(C)C(=O)Nc1nnc(Cc2ccccc2)s1,2.818199492 |
| Mol1071,CC(C)(CO)NCCCCn1c2ccccc2c2ccccc21,2.212283512 |
| Mol1072,Cn1c(=O)n(C2CCCC2)c(=O)c2c(F)cccc21,2.618293953 |
| Mol1073,Cc1noc2ncc(C(=O)Nc3nc(C4CC4)cs3)cc12,2.575872243 |
| Mol1074,Cc1noc(C)c1CS(=O)(=O)Cc1cccc2c1OCCO2,3.358958802 |
| Mol1075,Cc1ccc(CNC(=O)c2cccnc2)n1C,1.027920136 |
| Mol1076,CN1CCc2nc(NC(=O)c3cncn3-c3ccccc3)sc2C1,1.803368336 |
| Mol1077,Cc1ccc2cccc(OCC(=O)N(C)c3ccccc3)c2n1,2.683415402 |
| Mol1078,C=CCn1cnc2c(Cl)cc(-c3ccc(C(=O)NC4CC4)o3)cc21,2.059729985 |
| Mol1079,CCN1C(=O)CC[C@H](C(=O)N2CCc3cc(F)cc(C)c3C2)[C@H]1c1ccncc1,2.675200731 |
| Mol1080,FC(F)(F)COc1ccc(CN2CCc3c(cnn3-c3ccccc3)C2)nn1,1.899004751 |
| Mol1081,COc1ccccc1CC(=O)NC1CCN(C)CC1,1.736850481 |
| Mol1082,CC(=O)N(c1ccc(C)cc1)c1nc(Cn2ccnc2)cs1,2.322802099 |
| Mol1083,Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2,2.432674319 |
| Mol1084,Fc1ccccc1CNc1nc(-c2ccccc2)no1,2.118519341 |
| Mol1085,CC(=O)NC1(C(=O)N2CCCN(c3cccnn3)CC2)CCCCC1,1.320997417 |
| Mol1086,CNC(=O)c1cccc(Oc2ncnc3c2CN(C)CC3)c1,1.027920136 |
| Mol1087,C#CCN1CCC[C@H]1C(=O)Nc1cnn(-c2ncccn2)c1,1.921166051 |
| Mol1088,N#Cc1ccccc1N1CCC(N)CC1,3.345034986 |
| Mol1089,N#Cc1ccc(Cn2cncn2)c(F)c1,1.027920136 |
| Mol1090,Fc1cccc(Cl)c1CNCCc1c[nH]c2ccccc12,3.332564892 |
| Mol1091,CN(C)S(=O)(=O)Nc1ccc(-n2ncc3ccccc32)cc1,2.981805021 |
| Mol1092,Cn1cnnc1CCn1ccnc1-c1cc2ccccc2s1,1.403240665 |
| Mol1093,CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C#N)c3)C3CCN(CCC4CCCC4)CC3)cc21,2.500914016 |
| Mol1094,Cc1ccc(C(=O)Nc2cccc(C(=O)N(C)C)c2)cn1,1.027920136 |
| Mol1095,CC(C)c1noc(-c2ccc(N(C)Cc3cccnc3)nc2)n1,2.662133321 |
| Mol1096,COc1ccc(-c2nc(CN3CCC[C@H](O)C3)no2)cc1,1.681195996 |
| Mol1097,CCc1nc(NC(=O)c2ccccc2F)sc1C,2.164834477 |
| Mol1098,Cc1ccc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1,2.779713345 |
| Mol1099,O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1cccc(F)c1,2.985315978 |
| Mol1100,O=C(O)c1ccccc1-c1ccc(CN2CCCCC2)cc1,1.734535813 |
| Mol1101,CN1CC(=O)N(CCCC(=O)Nc2cccc(C#Cc3cccs3)c2)C1=O,2.86787684 |
| Mol1102,O=C(CCc1ccco1)Nc1ccccc1OC(F)F,2.919639696 |
| Mol1103,Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c(-c2cccnc2)n1,2.618166334 |
| Mol1104,Cc1noc(C)c1CCC(=O)Nc1cccnc1,1.50711343 |
| Mol1105,CCCN1CCCN(c2ncccc2C#N)CC1,3.224870371 |
| Mol1106,CSCc1c(C(=O)NC(C)C)oc2ccccc12,2.564701564 |
| Mol1107,Fc1ccc(F)c2c(NCc3ccc(N4CCOCC4)nc3)ccnc12,2.178559709 |
| Mol1108,CCOc1ccccc1CNCCc1c[nH]c2ccccc12,3.335979142 |
| Mol1109,COc1cc(CNCCN2CCOCC2)cc(Cl)c1OCc1ccccc1,2.519061069 |
| Mol1110,COc1ccncc1NCc1ccc2c(c1)OCCO2,2.75575979 |
| Mol1111,O=c1c2cccn2c2ccccc2n1CCCN1CCC(c2ccc(Cl)cc2)CC1,3.122454593 |
| Mol1112,Cn1cc(CCNC(=O)N2CCCc3c(F)cccc32)cn1,2.360875405 |
| Mol1113,Cc1ccc(-n2ccnc2-c2ccoc2)c2cccnc12,2.762359664 |
| Mol1114,O=C(c1cnc(-c2ccccc2)s1)N1CCOC2(CCCC2)C1,2.888995627 |
| Mol1115,Clc1ccccc1CNCc1ccc2c(c1)OCCO2,3.337312075 |
| Mol1116,Cc1cccc(-c2nc(CN(Cc3cnn(C)c3)C(C)C)c(C)o2)c1,3.65905931 |
| Mol1117,O=C(Cc1ccc2ccccc2c1)NCCc1nc2ccccc2[nH]1,2.942157425 |
| Mol1118,COc1ccc(NC(=O)CN2CCC(c3cc(-c4cnc(N)nc4)cc(C)n3)CC2)cc1,2.389036663 |
| Mol1119,Cc1ccc(C(=O)Nc2ccccc2C(C)(C)C)cn1,1.482702118 |
| Mol1120,c1ccc(-c2nsc(N3CCCN(c4nccs4)CC3)n2)cc1,3.16770153 |
| Mol1121,Cc1nc(N)c2c(C(F)(F)F)cc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)nc2n1,2.941471678 |
| Mol1122,CCCC(=O)Nc1cnc(N2CCN(C)CC2)nc1,1.536810866 |
| Mol1123,Cc1nc2cc(NC(=O)CCc3c(C)noc3C)ccc2o1,1.894609555 |
| Mol1124,CN(CC(=O)N(C)C)Cc1cc(C#N)ccc1F,1.58043455 |
| Mol1125,O=C(CCc1ccc2c(c1)OCO2)Nc1cccc2cnccc12,2.477014116 |
| Mol1126,O[C@@H]1CO[C@H]2C[C@@H]1Nc1c(Cc3ccccc3)cccc12,2.549043745 |
| Mol1127,Cc1cc(C)c(S(=O)(=O)Nc2ccc(N(C)C)cc2)c(C)c1-n1cnnn1,1.950321033 |
| Mol1128,Cc1cc(F)ccc1CC(=O)N[C@@H]1CCOC[C@H]1OCCO,1.027920136 |
| Mol1129,COc1ccc(CCC(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1,2.938167844 |
| Mol1130,Cc1ccc(-n2c(S)nnc2-c2ccc(O)cc2)c(C)c1,2.111060782 |
| Mol1131,Cc1nccn1-c1cncc(N2CCN(CC3CCCC3)C(=O)C2)n1,2.732459703 |
| Mol1132,N#Cc1c(O)nc2scc(-c3ccc(-c4ccccc4O)cc3)c2c1O,1.027920136 |
| Mol1133,O=C1CN(C(=O)c2ccc(F)cc2)CCN1,1.027920136 |
| Mol1134,CN(CC(=O)NC1(C#N)CCCC1)c1ccccc1,2.697531848 |
| Mol1135,CCOc1ccc(CC(=O)NCCn2cccnc2=O)cc1,1.04351946 |
| Mol1136,Cc1ccc(C)c(S(=O)(=O)N2CCCN(C3CCC3)CC2)c1,3.331775402 |
| Mol1137,COc1c(N)ncnc1N1CCCC(C)(C)CC1,3.082971969 |
| Mol1138,COc1ccc(-c2nnc(-c3ccccc3)o2)cc1OC,1.70588081 |
| Mol1139,Cc1nccc(C2(C)CCN(CC(N)=O)CC2)n1,1.027920136 |
| Mol1140,Cc1cc2ncn(CC(=O)NC(C)(C)C)c2cc1C,1.845470133 |
| Mol1141,O=C1CCCN1c1ccc(NCc2ccccn2)nc1,1.027920136 |
| Mol1142,Cc1csc(N2CCN(Cc3ccc(OCC(F)(F)F)nc3)CC2)n1,2.025907724 |
| Mol1143,CNc1nc(-c2cc(OC)cc(OC)c2)ncc1F,2.07021155 |
| Mol1144,COc1ccccc1-c1nc(C(=O)O)cs1,1.027920136 |
| Mol1145,Cc1ccc(CC(=O)Nc2nc(C)no2)cn1,1.027920136 |
| Mol1146,CCCn1c(=O)n(Cc2ccc(C#N)cc2F)c2ccccc21,2.800934171 |
| Mol1147,OCCCCCn1cc(-c2ccccc2-c2ccco2)nn1,2.370720288 |
| Mol1148,Cc1ccc(C2=NC3(CCN(Cc4ccc(F)cc4)CC3)NC2=O)cc1,2.825713605 |
| Mol1149,O=C(NCc1ccccn1)c1ccc(F)cc1Cl,1.027920136 |
| Mol1150,Nc1ccc(CC(=O)Nc2ccccc2F)cc1,1.027920136 |
| Mol1151,COc1ccc(CN(C)C(=O)Nc2ccccc2)cc1F,2.808804935 |
| Mol1152,Cc1ccc(-n2cc(C(=O)NCCN(C)C)nn2)cc1C,2.276638703 |
| Mol1153,CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)NCCN(C)C)ccn3n2)cc1,2.153458139 |
| Mol1154,CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN(CC)CC)c1ccccc1CC2,2.556304914 |
| Mol1155,COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O,1.312748421 |
| Mol1156,Cc1nccc(-c2cccc(NCc3cc(C)on3)c2)n1,2.543854567 |
| Mol1157,O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1Cl,3.218672284 |
| Mol1158,Cc1ccc(C)c(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1,3.288203602 |
| Mol1159,C/C=C/CC(=O)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1,2.887008186 |
| Mol1160,O=C(NC1=NS(=O)(=O)c2ccccc21)c1cc(-c2ccc(F)cc2)no1,1.027920136 |
| Mol1161,Cc1cc(CN2CCN(c3ncccn3)CC2)on1,1.961392615 |
| Mol1162,CCc1nnc2n1CCN(C(=O)c1ccccc1Oc1cccnc1)C2,1.873518228 |
| Mol1163,CNC(=O)c1cc(C2CCN(C)CC2)ncn1,1.027920136 |
| Mol1164,CN1CCc2ncnc(N3CCCN(c4nccs4)CC3)c2C1,2.117619255 |
| Mol1165,Cc1cc(N(C)C)nc(N(C)Cc2csc(C)n2)n1,2.833233197 |
| Mol1166,Cc1cccc(N2CCN(C(=O)c3cncnc3C(C)C)CC2)c1,3.174717296 |
| Mol1167,CCc1cnc(CN2C(=O)NC3(CCC3)C2=O)o1,1.715351413 |
| Mol1168,Cc1cnn(C2CN(CC3(O)CCCCC3)C2)c1,3.277879333 |
| Mol1169,CC1(C)CCN(C(=O)NCCOc2cccnc2)C1,1.680553059 |
| Mol1170,CN(Cc1cscn1)c1nc2c(cc1C#N)CCC2,3.073361239 |
| Mol1171,N#CCSCC(=O)NC1CCCCCC1,1.582370217 |
| Mol1172,Cc1cc(CNc2cc(C(=O)N(C)C)ccn2)sc1Br,2.902705466 |
| Mol1173,CCC(Nc1cnn(C)c1)c1ccc2c(c1)OCCO2,2.521183865 |
| Mol1174,CC(C)c1cccc(CN2C(=O)N(C)C3(CCCCC3)C2=O)n1,3.623332729 |
| Mol1175,Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccn3)ccc21,1.027920136 |
| Mol1176,Brc1cc2c(cc1Cn1cncn1)OCCCO2,2.357932942 |
| Mol1177,COCCNc1ncnc2ccsc12,1.36078269 |
| Mol1178,O=C(c1ccccn1)N1CCCC(c2cccc(-c3cccc(Cl)c3)n2)C1,3.113778957 |
| Mol1179,CN1CCN(c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)cc2)CC1,2.861773297 |
| Mol1180,Cc1cnn(Cc2nc(Cn3cccn3)no2)c1,1.027920136 |
| Mol1181,COc1ccccc1CC(=O)Nc1ncc(C)s1,2.417446781 |
| Mol1182,CCCN(CC)c1ccc(C(=O)N2CCCN(C(C)=O)CC2)cc1,2.488679012 |
| Mol1183,Cc1c(Cl)cccc1NC(=O)C(C)N1CCCN(c2nccs2)CC1,3.642941685 |
| Mol1184,Cc1nc(N2CCOc3ccccc3C2)c2cnn(C)c2n1,2.434540163 |
| Mol1185,COCC(=O)Nc1cccc(-n2cccc2)c1,2.111430552 |
| Mol1186,CO[C@H]1CC[C@@H](C(=O)c2ccc3nc4c(cc3c2)CCCO4)CC1,2.742175043 |
| Mol1187,Cc1cnc(-c2nc(NCc3ccccn3)ncc2-c2onc(C)c2C)cn1,3.015880513 |
| Mol1188,CC(/C=C/C(=O)NO)=C\[C@@H](C)C(=O)c1ccc(N(C)C)cc1,2.180916867 |
| Mol1189,CCNC(=O)c1ccc(-c2cc(C)cc(OC)c2OC)nc1,1.969075613 |
| Mol1190,Cc1ccc(C)c(OCCN(C)C(=O)c2ccc3c(c2)nnn3C)c1,3.011708702 |
| Mol1191,CC(C)c1nc(NCc2cccnc2)n(C)n1,1.027920136 |
| Mol1192,COc1ccc(N2CCCN(CC3CCN(C(=O)C4CC4)CC3)CC2)cc1,1.706922509 |
| Mol1193,CCc1nc2ccccc2n1CC(=O)Nc1ncc(C)s1,2.541104755 |
| Mol1194,O=C(CSC1CCCC1)NCCn1nc2c(cc1=O)CCCC2,3.073010809 |
| Mol1195,O=c1ccc(-c2ccc(F)cc2)nn1Cc1ccncc1,1.751710104 |
| Mol1196,COc1ccc(-c2noc([C@@H]3CCCN3Cc3ccccc3)n2)cn1,3.061012684 |
| Mol1197,Cc1cc(C)c2c(c1)CCCN2C(=O)c1ccc(-c2nnc(C)o2)cc1,3.320933329 |
| Mol1198,CCC(=O)N(C)c1ccccc1C(=O)O,3.052677785 |
| Mol1199,CCc1cnc(CNC(=O)N2CCC(n3cncn3)CC2)s1,1.027920136 |
| Mol1200,C#CCOc1ccc(C(=O)NN2CCCC2=O)cc1,1.027920136 |
| Mol1201,COC(=O)c1ccc(NC(=O)N(C)Cc2ccccc2CN2CCCC2)cc1,2.442799493 |
| Mol1202,Cc1ccccc1N(CC(=O)N(C)C)S(C)(=O)=O,2.742340143 |
| Mol1203,Cc1ncsc1C(=O)N1C[C@@H]2CCCN(C(=O)c3scnc3C)[C@@H]2C1,1.040444098 |
| Mol1204,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,2.226256974 |
| Mol1205,COc1ccc(C(=O)Nc2ccc3oc(C)nc3c2)c(OC)c1,2.280808203 |
| Mol1206,O=C(NCC1CC1)c1ccc(-n2ccnc2)nc1,1.365600288 |
| Mol1207,Fc1cccc(OC2CCN(Cc3nc4ccccc4[nH]3)CC2)c1,3.293056783 |
| Mol1208,O=C1NCC2(C/C=C/CCOc3ccccc31)CCN(C(=O)c1ccc3[nH]nnc3c1)CC2,2.217328623 |
| Mol1209,Cc1ccc(CN(C)c2ncnc3c2cnn3C)o1,2.348384704 |
| Mol1210,O=C(CN1CCC(c2ccccc2)CC1)N1CCNC1=O,1.813927752 |
| Mol1211,N#CC1(NC(=O)CN2CCOCC2)CCCCCC1,1.816638945 |
| Mol1212,O=C(CCCc1nc2ccccc2[nH]1)N1CCCC1,1.929541533 |
| Mol1213,C=CCN(Cc1cccnc1)c1nc(C)nc2sccc12,3.170271986 |
| Mol1214,CN(C)C(C)(C)CNc1ncnc2ccccc12,2.466869103 |
| Mol1215,OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F,1.027920136 |
| Mol1216,COc1cccc(CN2CCN(C(=O)Cc3ccc(C)cc3)[C@@H](C)C2)c1,2.994858913 |
| Mol1217,Cc1nc(N(C)C)cc(C2(C)CCNCC2)n1,1.264132797 |
| Mol1218,O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl,1.956370158 |
| Mol1219,Cc1ccc(CN(C)C(=O)c2cn(Cc3ccccc3F)nn2)cc1,3.038174513 |
| Mol1220,Cc1nnc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)s1,1.451187525 |
| Mol1221,N#CCCN(C(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2,3.364089817 |
| Mol1222,CON(C)C(=O)Cc1c(C)[nH]c2ccccc12,1.847554152 |
| Mol1223,Cc1cccc(Oc2ncccc2N)c1C,2.488247451 |
| Mol1224,CC(C)c1cnc(COc2ccc(Br)nc2)o1,2.99235908 |
| Mol1225,CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1,2.374445884 |
| Mol1226,CN1CCCN(C(=O)NCCOc2ccc3c(c2)OCO3)CC1,1.307709923 |
| Mol1227,N#Cc1ccc(CCC(=O)Nc2ccncc2)cc1,1.780230877 |
| Mol1228,Cn1c(=O)c2c(nc3n2CCN3Cc2c(F)cccc2Cl)n(C)c1=O,2.163510221 |
| Mol1229,C#CCNC(=O)Cc1coc2cc(OC)ccc12,2.263446689 |
| Mol1230,COc1ccc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)c(C)c1C,1.713498943 |
| Mol1231,CN(C)c1nc(N)nc(Sc2ccccc2)n1,2.807417983 |
| Mol1232,Cc1c(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)oc2c(F)cccc12,2.736383752 |
| Mol1233,O=C(NCC1CC1)c1cncn1-c1ccc(F)cc1,1.027920136 |
| Mol1234,CCc1cc(CN(C)c2nccc(-c3ccc(C)nc3C)n2)on1,3.227190505 |
| Mol1235,Cc1cc(C(=O)NCCC2=CSC3=NCCCN23)c2cccc(C)c2n1,2.463613817 |
| Mol1236,c1ccc(COc2ccc(CNCC3CCNCC3)cc2)cc1,1.32362331 |
| Mol1237,CN(C)c1cnn(CCC(C#N)(c2ccccc2)c2ccccc2)c(=O)c1,3.101228979 |
| Mol1238,Nc1nc(-c2ccccc2)nc2nc(C3CCCN(CC(=O)N4CCCC4)C3)ccc12,2.270546082 |
| Mol1239,COc1cc(C(=O)O)c(N)c(OC)c1OC,1.027920136 |
| Mol1240,CC(C)(C)N1CCCN(C(=O)CNc2ccc(C#N)cc2)CC1,1.815119306 |
| Mol1241,O=C(NCCc1ccc2c(c1)OCO2)Nc1ccncc1,1.43611492 |
| Mol1242,COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2nccs2)nc1OC,2.098307926 |
| Mol1243,Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1,1.494405076 |
| Mol1244,COc1cccc(CN2Cc3ccccc3OC3(CCOCC3)C2)c1,3.197581289 |
| Mol1245,NC(=O)COc1ncnc2ccccc12,1.027920136 |
| Mol1246,O[C@@H]1CCCC[C@H]1N1CCC(c2ccccc2)CC1,3.142284948 |
| Mol1247,CN(C)CCN(Cc1ccccc1)Cc1ccccc1O,3.140291785 |
| Mol1248,Cc1n[nH]c(C)c1CCC(=O)N1CCOCC1,1.027920136 |
| Mol1249,CN(CCOCCOc1ccccc1-c1ccccc1)Cc1ccccc1.O=C(O)C(=O)O,3.182121219 |
| Mol1250,Cn1nccc1CC1CCN(C2CCCC2)CC1,2.410927313 |
| Mol1251,C=C(C)COc1cccc(C(=O)NCc2nncn2C2CCCCC2)c1,3.319202281 |
| Mol1252,Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)C(F)F)cc2)C(=O)c2ccc(O)cc2O)cc1,1.927252276 |
| Mol1253,CC(=O)Nc1cnn(CC2CCN(C)CC2)c1,1.027920136 |
| Mol1254,Cc1cc(=O)n(C)c2cc(N3C(=O)CC[C@H](NS(=O)(=O)CC(C)C)[C@H]3c3ccc(Cl)cc3)ccc12,2.97487261 |
| Mol1255,CC(=O)Nc1cccc(CN2CCCN(C(C)=O)c3ccccc32)c1,2.96343978 |
| Mol1256,Cc1ccccc1C(=O)N1CCC[C@@H]1Cn1nnn(-c2cccs2)c1=O,2.967809036 |
| Mol1257,Cc1nc2ccccc2n1Cc1ccc(C(=O)O)cc1,1.027920136 |
| Mol1258,Cc1cccnc1NC(=O)Cc1coc2c(C)c(C)ccc12,3.634550721 |
| Mol1259,Cn1cc(CN2CCN(c3ccccc3O)CC2)c(-c2ccncc2)n1,2.572999317 |
| Mol1260,Cc1cccc(C)c1OCC(=O)N(C)C1(C#N)CCC1,2.674191278 |
| Mol1261,CS(=O)(=O)Cc1ccn(-c2ccccc2)n1,1.027920136 |
| Mol1262,CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(S(N)(=O)=O)cc1,1.027920136 |
| Mol1263,CN1CCC(OC(=O)Nc2ccc(Cl)c(Cl)c2)CC1,2.320391417 |
| Mol1264,CCc1nc(C)c(Cn2ccnc2-c2cnc(N3CCCC3)nc2)s1,2.738503885 |
| Mol1265,COc1ccc(-c2nc3cc(C)ccc3cc2CN(C)Cc2nccn2C)cc1,3.397295037 |
| Mol1266,Cc1ccc2c(c1)cc(CNCCc1ccccc1)c1nnnn12,3.249146973 |
| Mol1267,O=C(CCn1cncn1)N(CC#Cc1ccccc1)C1CCCC1,3.130409361 |
| Mol1268,C[C@@H](/C=C\C(F)(F)F)Oc1cc(-c2cc(-c3cc(CN(C)C)cs3)cnc2N)ccc1C(N)=O,2.195542665 |
| Mol1269,CC(=O)Nc1ccnn1C1CCN(Cc2ccccc2C#Cc2ccccc2)CC1,2.705213494 |
| Mol1270,Cc1nnc(-c2ccccc2-c2ccc(O)cc2)s1,2.599016893 |
| Mol1271,CCc1cnc(NCc2ccc(CN3CCCC3)cc2)nc1,2.464419494 |
| Mol1272,CCCNC(=O)c1c(C)nn(-c2ccccc2)c1C,3.313825265 |
| Mol1273,CN1CCN(C(=O)c2cc(Br)cnc2Cl)c2cnccc21,1.958238877 |
| Mol1274,Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCC(C)CC1,3.399959639 |
| Mol1275,CN(C)c1cc(CNC(=O)C2CCOCC2)ccn1,1.027920136 |
| Mol1276,O=C(NCCN1CCC(O)(c2cccc(F)c2)CC1)c1cccc(F)c1,2.389748889 |
| Mol1277,COC(=O)c1cc(F)c(C)c(NC(=O)CCCc2ccccn2)c1,3.224233848 |
| Mol1278,COc1ccc(C)cc1-n1ccc(C(=O)Nc2c3c(nn2C)CCC3)n1,2.406255667 |
| Mol1279,CN(c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)c1ccnc(Nc2cccc(S(N)(=O)=O)c2)n1,1.027920136 |
| Mol1280,NC(=O)c1cnc(NC2CC2)nc1CCNC(=O)C1(c2cccc(F)c2)CCOCC1,1.947340579 |
| Mol1281,CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)COc2ccc(C(C)C)cc2)CC1,3.298423152 |
| Mol1282,O[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)N(CCCc2ccccc2)C1,3.279585506 |
| Mol1283,Cn1nc(C2CC2)c2[nH]c(-c3cccc(CN4CCOCC4)c3)nc21,2.38811364 |
| Mol1284,COC(=O)[C@@H]1Cc2ncn(Cc3ccccc3)c2CN1C(C)=O,1.988170861 |
| Mol1285,Fc1cccc(CCNCc2cc(-c3ccccc3)cn3nnnc23)c1,3.236257298 |
| Mol1286,COc1ccc(OC)c(S(=O)(=O)Nc2cccc(CCc3ccccn3)c2)c1,3.497596207 |
| Mol1287,O=C(O)c1cccc(N2CCC(Oc3ccc(Cl)cc3)CC2)n1,1.027920136 |
| Mol1288,c1ccc(C(c2ccccc2)c2noc(Cn3cnc(C4CC4)n3)n2)cc1,3.178832542 |
| Mol1289,Nc1nc(CN2CCN(c3ccc(F)cc3)CC2)cs1,1.696504915 |
| Mol1290,COC(=O)Nc1ccc(Oc2nc3ccccc3o2)cc1,1.463878065 |
| Mol1291,CC1(C)CN(C(=O)c2cncc(Br)c2)CCO1,1.027920136 |
| Mol1292,CN1CCc2nc(NC(=O)c3ccc(Cl)s3)sc2C1,2.678538409 |
| Mol1293,O=C(Nn1cnc2ccccc21)c1c2c(nc3ccccc13)CCC2,1.027920136 |
| Mol1294,Cc1cccc(N(C)C(=O)COC2CCCC2)n1,2.300606352 |
| Mol1295,Cc1cc(C(=O)Nc2cccc(-c3cnco3)c2)c2c(C)nn(C)c2n1,1.875477986 |
| Mol1296,CCN(CC)CCCNc1ncc(-c2cc(C)no2)c(-c2ccco2)n1,2.493877504 |
| Mol1297,Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1,1.027920136 |
| Mol1298,OCCn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncc2)n1,2.091336276 |
| Mol1299,Fc1ccc(CNc2nnc(-c3ccc4c(c3)OCO4)o2)cc1,3.652460244 |
| Mol1300,Cc1oc(C)c(C(=O)NCC#Cc2ccccc2)c1C,3.121231127 |
| Mol1301,CNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)CCc2ccccc2)CC1,3.164344229 |
| Mol1302,Cc1cc(NCc2ccnc(N3CCCC3)c2)c2ccccc2n1,3.737787441 |
| Mol1303,Cc1ccc(C)c(OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1,3.143961093 |
| Mol1304,Cc1nccc(-c2cccc(NCC(=O)N3CCCCCCC3)c2)n1,3.311706192 |
| Mol1305,Cc1ccc(-c2cnc(N)cn2)c2cccnc12,1.877192753 |
| Mol1306,COc1ccc(CNC(=O)c2nnn(-c3ccc(OC)cc3)c2N)cc1,1.90538567 |
| Mol1307,O=C(NC1CCCCC1)C1CCN(c2ccncc2Cl)CC1,2.41001085 |
| Mol1308,c1ccc(C2(c3ccccc3)CCCN(Cc3nnc(C4CC4)o3)C2)cc1,3.079395445 |
| Mol1309,Cc1nn(C)c2ncnc(N(C)Cc3cccc(Cl)c3)c12,2.814166324 |
| Mol1310,CN(C)C1CN(c2nc(-c3cnccn3)nc3sc4c(c23)CCCC4)C1,3.434142543 |
| Mol1311,CC(C)c1nc(CCn2ccnc2-c2ccoc2)cs1,3.333990256 |
| Mol1312,Cc1cc2occ(CC(=O)NC3CCN(C)CC3)c2cc1C(C)C,2.609339306 |
| Mol1313,CCOC1CCN(C(=O)Cn2c(=O)[nH]c3ccccc32)CC1,1.305566314 |
| Mol1314,Nc1ccccc1OCCn1ccnc1,1.485352261 |
| Mol1315,CCCCCCNc1ncnc2[nH]ccc12,2.758597028 |
| Mol1316,Cc1cc2cc(C(=O)N(Cc3ccc4c(c3)OCO4)C3CC3)ccc2o1,3.237082055 |
| Mol1317,CCOc1ccccc1C(=O)N1CCC(c2nc(-c3ccc(OC)cc3)c(C(N)=O)[nH]2)CC1,2.375154963 |
| Mol1318,O=C1N[C@@H]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccc(F)cc1,1.472917269 |
| Mol1319,CC(C)(C)C(=O)N1CCC(CN2CCCC[C@@H]2CO)CC1,1.469011559 |
| Mol1320,COc1cccc(-n2nc(C(=O)O)cc2-c2ccc(C3CCCCC3)c(Cl)c2)c1,1.511789811 |
| Mol1321,CCN1CCc2ncnc(N3CCNc4ccccc4C3)c2C1,2.022622173 |
| Mol1322,Cn1cc(NC(=O)c2cn(Cc3ccccc3)nn2)cn1,1.027920136 |
| Mol1323,CCc1noc(-c2ccc(CCN)cc2)n1,1.736579744 |
| Mol1324,O=C(O)CCC(=O)Nc1ccccc1-c1nc2ccccc2[nH]c1=O,1.027920136 |
| Mol1325,O=C(NCCc1cn2c(n1)CCCC2)c1ccccn1,1.426202103 |
| Mol1326,Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(F)c(F)c3)c2)n1,2.548213699 |
| Mol1327,O=C(CN1CCc2ccccc21)N1CCNC1=O,1.210586025 |
| Mol1328,O=C(O)c1c2ccccc2nn1Cc1ccccc1,1.027920136 |
| Mol1329,Cc1nc2cc(-c3nccn3C)nn2c(NCc2cccnc2)c1C,2.578647231 |
| Mol1330,COc1cc(OC)c(OC)cc1CNc1ccc(N2CCOCC2)c(C(=O)O)c1,1.027920136 |
| Mol1331,CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(C(C)=O)CC2)cc1,2.646919084 |
| Mol1332,Cc1cccc(NCCc2cn3c(n2)CCCC3)n1,2.987222361 |
| Mol1333,COc1cccc(-c2ccc(C(=O)N(C)Cc3c(C)nn(C(C)C)c3C)o2)c1,3.293288066 |
| Mol1334,Cc1cc(N(C)C)nc(-n2ccnc2)n1,1.919475578 |
| Mol1335,CCCC(=O)NCC(=O)Nc1cnc(N2CCN(C)CC2)nc1,1.027920136 |
| Mol1336,COc1cc2c(cc1NC(C)=O)oc1ccccc12,1.804391618 |
| Mol1337,Cn1cncc1-c1ncccc1C(=O)N1CCCC1,1.027920136 |
| Mol1338,Cc1noc(C(C)C)c1C(=O)Nc1ccccn1,2.70725669 |
| Mol1339,Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nnc2cc1C1CCC1,1.610351364 |
| Mol1340,CNC(=O)CCc1nc(-c2ccccn2)no1,1.027920136 |
| Mol1341,O=C(CN1CCCc2ccc(F)cc21)N1CCNC1=O,1.787375449 |
| Mol1342,Cc1cc(N(C)C)nc(-n2cnc(C#N)n2)n1,1.898648406 |
| Mol1343,N#CC1(CN2CCc3cc(-c4ccccc4)oc3C2)CC1,2.701927877 |
| Mol1344,CCOC(=S)SCC(=O)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1,3.144022817 |
| Mol1345,Nc1nc(N)c2c(Cl)c(Br)ccc2n1,1.927796235 |
| Mol1346,c1ccc(Cc2n[nH]c(CSc3ccccc3)n2)cc1,3.120964292 |
| Mol1347,Cc1cc(-c2ccc(N)nc2)cc(C2CCN(C(=O)CCCc3ccc(F)c(C)c3)CC2)n1,3.281457223 |
| Mol1348,Cc1ccc(-c2ccc(=O)n(Cc3ccncc3)n2)cc1,3.380312565 |
| Mol1349,Cc1ccnc(Oc2cc(N)ccc2C)c1,2.362325995 |
| Mol1350,CCOC(=O)c1cc2ccccc2n1CC(=O)c1ccc(F)cc1,3.277170803 |
| Mol1351,Cn1cc(C(=O)N2CCC(c3cc(C(F)(F)F)c4c(n3)CCNC4=O)CC2)ccc1=O,1.027920136 |
| Mol1352,CC(C)c1ccc2c(c1)[C@H](NC(=O)Cn1ccnn1)CCC2,2.473101408 |
| Mol1353,Cc1ccccc1COC1CN(C(=O)Cn2c(=O)[nH]c3ccccc32)C1,2.575491514 |
| Mol1354,COc1cc(CNc2nc3ccccc3nc2C)ccn1,2.093680784 |
| Mol1355,CCN1CCc2nc(NC(=O)Cc3ccc(Cl)cc3)sc2C1,1.027920136 |
| Mol1356,Cc1ccc(-c2ccnc(N3C[C@@H](C)NC[C@@H]3C)n2)c(C)n1,1.895974732 |
| Mol1357,Cn1ccnc1CN(C(=O)c1[nH]c2ccccc2c1Cl)C1CC1,3.352950636 |
| Mol1358,Clc1ccc(Cc2nc(-c3cccnc3)no2)cc1,2.340313212 |
| Mol1359,CCC(=O)N(C)CC(=O)Nc1cccc(F)c1,1.084719232 |
| Mol1360,O=C1CCCc2c1[nH]c1cc(-n3ccnc3-c3ccncc3)ccc21,2.272414868 |
| Mol1361,O=C(NCCc1csc(N2CCCC2)n1)N1CCSCC1,2.945556715 |
| Mol1362,Cc1ccccc1-n1cc[nH]c(=O)c1=O,1.027920136 |
| Mol1363,CCN(CC)C(=O)N1CCCN(C(=O)N(CC)CC)CC1,2.843747147 |
| Mol1364,c1ccc(-n2ncc3c(-n4ccnc4)ncnc32)cc1,2.575138175 |
| Mol1365,CCOC(=O)c1ccc(NC(=O)Cn2cnc3ccccc32)cc1,2.716877733 |
| Mol1366,COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(C)Cc2cccs2)c1C,2.68463624 |
| Mol1367,CC(=O)N1CCC(CCNc2ccc3ccc(F)cc3n2)CC1,2.421768401 |
| Mol1368,O=C(CSC1CCCC1)N1CCC(n2ccnn2)CC1,2.139529622 |
| Mol1369,Cc1ccc(C(=O)NC[C@H]2Cn3ccnc3CO2)cc1,1.027920136 |
| Mol1370,CC(C)(C)C(=O)N1CCC(CN2C(=O)C(=O)N(C3CCCC3)C2=O)CC1,2.45996062 |
| Mol1371,CC(=O)N1CCCN(Cc2c(C)nn(C)c2Cl)CC1,1.640908565 |
| Mol1372,NC(=O)CC1CCN(c2ncccn2)CC1,1.027920136 |
| Mol1373,COc1ccc2nc(C)nc(N3CC(CO)C3)c2c1,1.132771829 |
| Mol1374,Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1,1.027920136 |
| Mol1375,O=C(CCc1ccc2c(c1)OCO2)Nc1nc2c(s1)CCC2,2.773161606 |
| Mol1376,Cc1nccc(C2CCN(Cc3ncc[nH]3)CC2)n1,1.461183271 |
| Mol1377,CCCC(=O)Nc1ccc(C)c2ncccc12,1.449200609 |
| Mol1378,CC(C)Cn1c(=O)[nH]c(=O)c2c1nc1n2CCCCC1,1.449786847 |
| Mol1379,O=C1CCCN1C(=O)COc1cccc(-c2nnco2)c1,1.43858981 |
| Mol1380,CCn1nccc1-c1cc(CC2CCNCC2)ncn1,1.027920136 |
| Mol1381,Cc1ccc(C(=O)N(C)Cc2c(C)noc2C)cn1,1.027920136 |
| Mol1382,O=C(CCn1nnc2ccccc2c1=O)Nc1ccncc1,1.928226813 |
| Mol1383,O=c1[nH]c2cnccc2n1Cc1ccccc1,1.680553059 |
| Mol1384,Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)O,1.027920136 |
| Mol1385,Clc1ccc(Cc2nc(-c3ccccc3)n[nH]2)cn1,1.824529338 |
| Mol1386,CCCn1ncc2[nH]c(C3CCCCC3)nc21,1.922611292 |
| Mol1387,Cc1ccc(-c2noc(CCC(=O)N3CCCC3(C)C)n2)cc1F,3.529047483 |
| Mol1388,CCC(=O)N1CCCc2cc(C(O)CN3CCN(c4ccc(OC)cc4)CC3)ccc21,2.451837075 |
| Mol1389,O=C(Nc1nc2ccccc2[nH]1)C1CCCCC1,2.277306592 |
| Mol1390,O=C(Nc1nc2ccccc2[nH]1)c1ccncc1,2.036972044 |
| Mol1391,O=C(Cc1ccc2c(c1)OCCO2)NC1CCCCCC1,2.967200121 |
| Mol1392,CNC(=O)CN1CCCN(C(=O)c2c(C)nn(-c3ccccc3)c2Cl)CC1,1.943123377 |
| Mol1393,CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,2.98227259 |
| Mol1394,CC(C)(C)n1cc(CNc2cccnc2)cn1,1.61992771 |
| Mol1395,Cc1nccc(-c2cccc(NCC(=O)N(C)c3ccccc3)c2)n1,2.602668663 |
| Mol1396,Cc1cc(C)n2ncc(C(=O)NC3CCCCC3)c2n1,2.220152562 |
| Mol1397,Cc1ccc(N2CCN(C(=O)c3c(C)nc4sccn34)CC2=O)cc1,1.50861051 |
| Mol1398,Cn1c(CNC(=O)Cc2ccccc2)nc2ccccc21,1.952506693 |
| Mol1399,Cc1ccnc(NC(=O)CN2CCCC2=O)c1,1.027920136 |
| Mol1400,CC(=O)N1CCC(Cn2ccnc2-c2cc3ccccc3s2)CC1,2.552634152 |
| Mol1401,Cc1nc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)co1,2.311897896 |
| Mol1402,CC(C)c1cc(N2CCc3[nH]nc(C4CC4)c3C2)n2nccc2n1,2.580433409 |
| Mol1403,Fc1ccccc1-c1noc(-c2ccc(NCCc3cnccn3)nc2)n1,2.87459487 |
| Mol1404,COc1ccccc1OC1CCN(Cc2ccccc2C#N)CC1,3.177943478 |
| Mol1405,O=C(NCC1(c2ccccc2)CC1)c1cccnc1,2.363504803 |
| Mol1406,C#CCNC(=O)CCc1c(C)nn(C)c1C,1.027920136 |
| Mol1407,COc1cc2c(cc1OC)CN(C(=O)C1CCCN(S(=O)(=O)c3cccs3)C1)CC2,2.849634972 |
| Mol1408,COc1cc2c(cc1OC)CN(C(=O)C1CCCN(C(C)=O)C1)CC2,1.298044843 |
| Mol1409,COc1cc2c(cc1OC)CN(C(=O)C1CCCN(C(=O)OC(C)(C)C)C1)CC2,2.808478357 |
| Mol1410,Cn1ncc2c1CCc1sc(NC(=O)c3cccnc3)nc1-2,1.950165189 |
| Mol1411,COc1ccc2nc(NCc3cnn(C)c3)ccc2c1,1.947551348 |
| Mol1412,O=C(c1cccc(N2CCNC2=O)c1)N1CCc2ccccc2C1,2.50742136 |
| Mol1413,Cc1nnc(N2CCCSCC2)c(C#N)c1C,3.1844268 |
| Mol1414,CN(C)CCN(Cc1ccccc1)C(=O)CCC(=O)Nc1ncc(-c2ccccc2)n1C,2.445604203 |
| Mol1415,CC1(C)CN(C(=O)C2(C(=O)N3CC(C)(C)C3(C)C)CCC2)C1(C)C,3.082351577 |
| Mol1416,Cc1cccc(O[C@H]2CN(Cc3ccc(OCCCO)cc3)C[C@@H]2O)c1,2.846643238 |
| Mol1417,c1csc(-c2csc3nc(CN4CCOCC4)nc(N4CCc5[nH]ncc5C4)c23)c1,3.118970006 |
| Mol1418,CC(C)n1nnnc1-c1ccc(N)cc1F,1.604085587 |
| Mol1419,Cc1nn(C)c(C)c1CCC(=O)N1CCN(C)Cc2ccccc21,2.44494058 |
| Mol1420,O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(F)cc1Cl,2.103919973 |
| Mol1421,Cc1n[nH]c(-c2c(C)c3cc(F)ccc3n2C)n1,2.499054421 |
| Mol1422,CCN1CCc2ncnc(N(C)Cc3ccc4c(c3)OCCO4)c2C1,2.65121112 |
| Mol1423,Cc1nc(NCC(C)(C)c2ccccc2)n(C)n1,2.370975449 |
| Mol1424,CCCc1nnc(NCc2cn3ccc(C)cc3n2)o1,1.53149169 |
| Mol1425,CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,1.978150832 |
| Mol1426,COc1ccc(C(=O)N2CCCC2)cc1NC(C)C,1.938339566 |
| Mol1427,O=C(OCc1cc(Cl)ccn1)c1ccc2[nH]c(C(F)F)nc2c1,3.182590104 |
| Mol1428,Cc1nc(-c2cnn(C)c2-c2ccc(C(F)(F)F)cn2)c2c(N3CCC3)ncnn12,2.469036632 |
| Mol1429,N#CCN(C(=O)c1cn(-c2ccc(Br)cc2)cn1)C1CC1,1.758025755 |
| Mol1430,CN(C)c1cccc(Cn2ccnc2-c2ccc(O)cc2)c1,3.015474183 |
| Mol1431,CC(C)(C)OC(=O)NCc1ccc(C(=N)NC(=O)OCc2ccccc2)cc1,3.115318554 |
| Mol1432,N#Cc1cccc(CN2CCOC[C@H](Oc3ccccc3)C2)c1,3.304961189 |
| Mol1433,Cc1noc(OCC(=O)N2CCCCCC2)n1,1.027920136 |
| Mol1434,Cc1csc(NC(=O)c2ccc(-c3ccncc3)cc2)n1,2.484480639 |
| Mol1435,CCN(C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1)C(C)C,1.737653736 |
| Mol1436,Cc1cccc(-n2cnnc2CCCN2CCOCC2)c1,1.992668372 |
| Mol1437,Cc1ccnc(C2CCN(C3CCCC3)CC2)n1,2.92820222 |
| Mol1438,Cc1ccc2[nH]c(C3CCN(C)CC3)nc2c1,2.835418497 |
| Mol1439,CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@@H]1CO,2.152526835 |
| Mol1440,O=c1[nH]c2ccccc2n1C1CCN(Cc2nc(-c3ccsc3)no2)CC1,2.419407167 |
| Mol1441,CC(c1nnc(-c2cccs2)o1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,2.435559307 |
| Mol1442,O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCc2ccccc21,2.594451115 |
| Mol1443,CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(-n2ccnc2)nc1,1.66669578 |
| Mol1444,N#Cc1ccccc1OCc1csc(-c2ncccn2)n1,2.07612685 |
| Mol1445,Nc1ccc2c(c1)ncn2CCc1ccccc1,1.449046204 |
| Mol1446,COc1cccc(CN(C)c2ncnc3c2CN(C)CC3)c1,2.261343771 |
| Mol1447,CCONC(=O)c1sc(C)nc1C,1.027920136 |
| Mol1448,Cc1ccc(-c2nnc([C@H]3CCN(Cc4cc5ccccc5o4)C3)o2)cc1,2.821762374 |
| Mol1449,CC(C)CN1CC[C@H](c2nc3ccc(C#N)cc3[nH]2)C1,1.882735088 |
| Mol1450,O=C(O)c1ccc(CN2CC[C@H](c3nc4cc(Cl)ccc4o3)C2)cc1,1.249736305 |
| Mol1451,N#Cc1ccc2nc([C@H]3CCN(C4CCC4)C3)[nH]c2c1,1.835290964 |
| Mol1452,O=C(O)c1cnc(/C=C/c2csc(-c3ccsc3)n2)s1,1.772820272 |
| Mol1453,FC(F)(F)c1nccc(NCCSc2nc3ccccc3o2)n1,2.873189771 |
| Mol1454,O=C(Cc1cccc(I)c1)N1CC(CO)C1,1.027920136 |
| Mol1455,Cc1nc(NC2(c3cccc(Cl)c3)CC2)c2c(C)noc2n1,2.405223381 |
| Mol1456,CCc1oc2c(-n3cnnc3)cccc2c1C,2.229033884 |
| Mol1457,CCOC(=O)c1cccnc1-c1ccc2[nH]ccc2c1,2.842059159 |
| Mol1458,CCCN1CCn2nc(-c3nc4cc(OC)ccc4[nH]3)cc2C1,2.447564217 |
| Mol1459,Cc1cc(C)nc(NCc2cnc(C)c(C)c2)n1,2.210449618 |
| Mol1460,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,2.033480049 |
| Mol1461,Cc1nn(Cc2csc(-c3cccs3)n2)c(N)c1C#N,2.588775756 |
| Mol1462,COc1ccc2cc(-c3[nH]c(-c4ccc(S(C)=O)cc4)nc3-c3ccncc3)ccc2c1,2.082534053 |
| Mol1463,CN(Cc1ccccc1Br)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1,2.884571081 |
| Mol1464,COc1cccc(-c2cccc(N)n2)c1F,2.411279544 |
| Mol1465,Cc1ccc(CNC(=O)c2cccs2)cn1,1.027920136 |
| Mol1466,Cc1cc(Nc2ccccn2)cc(C2CCCN(CC(=O)Nc3ncc(C)s3)C2)n1,2.980412007 |
| Mol1467,O=C(CCc1ccc(Cl)cc1)N1CCCC(c2n[nH]cc2-c2cccc(F)c2)C1,3.512951347 |
| Mol1468,CCOc1cccc(CNCCc2c[nH]c3ccccc23)c1,3.122647009 |
| Mol1469,CCN(C(=O)N1CCC(OC2CCOCC2)CC1)C(C)C,2.189796205 |
| Mol1470,O=C(NCc1ccc(F)cc1)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1,2.024633418 |
| Mol1471,C(=C/c1ccccc1)\CNCc1ccc2c(c1)OCO2,2.758029545 |
| Mol1472,Cc1nc(O)c2c(n1)CN(Cc1ccccc1)CC2,1.027920136 |
| Mol1473,Cn1cc(C(=O)O)c(C2CCCCC2)n1,1.027920136 |
| Mol1474,O=C(COc1ncnc2ccccc12)NC12CC3CC(CC(C3)C1)C2,2.669835492 |
| Mol1475,O=C(NCc1cccnc1)c1sccc1-c1ccccc1,2.937782601 |
| Mol1476,Cc1oc(C)c(C(=O)N2CCNC(=O)C2)c1Br,1.027920136 |
| Mol1477,COc1ccc(-c2ccc(CN(CCN(C)C)Cc3ccncc3)cc2)cc1,2.667448283 |
| Mol1478,O=C(NCCc1nnc2n1CCC2)c1ccc2c(c1)CCC2,1.654571176 |
| Mol1479,O=C(NC1CCCCCC1)c1ccc(-c2cnco2)cc1,1.956379761 |
| Mol1480,Cc1cnc(CNCc2cccc3c2OCO3)s1,2.310266241 |
| Mol1481,CNC(=O)Cc1nc(-c2cncc(C)c2)cs1,1.160198326 |
| Mol1482,Cn1ncc2c(Oc3cccc(Oc4ccccn4)c3)ncnc21,2.56717346 |
| Mol1483,CC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1,3.372758685 |
| Mol1484,CN(Cc1ccc(N)nc1)c1ncccn1,1.357401175 |
| Mol1485,CN(CCc1ccccc1)C(=O)CC#N,1.027920136 |
| Mol1486,Cc1csc(Nc2ccc(C#N)cc2)n1,2.79255697 |
| Mol1487,Cc1noc(CCNc2ncnc3ccccc23)n1,1.974810944 |
| Mol1488,Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCCCC3)cccc2c1=O,2.025756315 |
| Mol1489,CCCC(=O)N1CCC(c2cccc(C)n2)CC1,2.645975102 |
| Mol1490,O=C(Cc1cccs1)NCc1ccccc1F,2.122713802 |
| Mol1491,O=C(Nn1cnc2ccccc21)c1cc(Cl)ccc1F,1.027920136 |
| Mol1492,c1ccc(CCn2cnc3c2CCN(c2ncccn2)C3)cc1,3.399640153 |
| Mol1493,Cc1cccc(NCC2CCN(C(=O)c3ccccc3)CC2)n1,3.045559233 |
| Mol1494,O=C(NCCCNC(=O)c1cc2ccccc2[nH]1)c1ccc2c(c1)OCCO2,2.45154697 |
| Mol1495,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1Cl,1.289455166 |
| Mol1496,O=C(NC1CC1)c1cccc2cccnc12,1.494919503 |
| Mol1497,COCCc1nc(-c2ccccc2-c2ccccc2)n(CCO)n1,2.260912913 |
| Mol1498,C1CCC(OCc2noc(C3CC3)n2)CC1,2.570284855 |
| Mol1499,Cc1noc(C)c1CC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1,2.696490064 |
| Mol1500,CCOC(=O)Nc1cc(-c2ccc(C)c(NS(C)(=O)=O)c2)nn2c(C)nnc12,2.094921611 |
| Mol1501,Cn1nc(C2CCNCC2)c2cccnc21,1.559343951 |
| Mol1502,Cc1nc(CNC2CCN(C(=O)C3CC3)CC2)cs1,1.027920136 |
| Mol1503,Cc1cccc(OC2CN(C(=O)Cn3c(C)nn(-c4ccccc4)c3=O)C2)c1,2.011912839 |
| Mol1504,CN(C)c1ccc(-c2ccc(COCc3cccs3)cc2)nn1,2.613046473 |
| Mol1505,O=C(c1ccc2oc(CCCc3ccccc3)nc2c1)N1CCC(Oc2cccnc2)CC1,3.320450809 |
| Mol1506,O=C(NC1CCCCCC1)c1ccc(CSc2nc3ccccc3[nH]2)cc1,3.278355239 |
| Mol1507,CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1,1.168025809 |
| Mol1508,Cc1cc(C(=O)NC2CCN(C(=O)c3cc(C)sc3C)CC2)no1,1.971507782 |
| Mol1509,Cc1cc(-c2nccs2)nc(CC2CCNCC2)n1,1.589066718 |
| Mol1510,CN(Cc1cccc(C#N)c1)c1cnc2ccccc2n1,2.678327138 |
| Mol1511,Cc1ccc(-c2ccnc(O)c2C#N)cc1,1.275909969 |
| Mol1512,COc1cncc(-c2ccnc3[nH]ccc23)c1,2.021267879 |
| Mol1513,Cc1ccc(-n2cc[nH]c(=O)c2=O)cc1,1.027920136 |
| Mol1514,Cc1nc(C)c(CNc2cnn(-c3ccccc3)c2)s1,2.0950612 |
| Mol1515,Cc1cccc(NC2CCN(Cc3ccncc3)CC2)n1,2.375886647 |
| Mol1516,c1ccc(CN2CCn3nccc3C2)cc1,1.490843033 |
| Mol1517,CN(C)c1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12,3.253160083 |
| Mol1518,CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1,2.339971885 |
| Mol1519,O=C(Nc1cccnc1)c1ccccc1Cc1ccccc1,2.663557707 |
| Mol1520,CCN(CC)C(=O)N1CCC(C(=O)O)CC1,1.027920136 |
| Mol1521,CC(C)c1cc(CN(C)Cc2c[nH]nc2-c2ccc(F)cc2)no1,3.251088983 |
| Mol1522,Cc1ccc(OCc2noc(-c3ccsc3)n2)cn1,2.309430005 |
| Mol1523,c1cnc(N2CC(c3nc4ccccc4[nH]3)C2)nc1,1.525446506 |
| Mol1524,Cc1cc(C)cc(C(=O)Nc2c(C#N)cnn2C)c1,1.904017301 |
| Mol1525,CN(C)CCNc1c2c(c(C#N)c3nc4ccccc4n13)CCCC2,2.43117392 |
| Mol1526,Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3ccc4nc(C)cc(O)c4c3)CC1)O2,2.075857061 |
| Mol1527,COc1ccccc1-c1ccc(CC2(C(=O)NC3CC3)CCOCC2)cc1,3.331902432 |
| Mol1528,CCS(=O)(=O)Cc1ccn(-c2cccc(F)c2)n1,1.587542601 |
| Mol1529,O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCOCC1,2.627594211 |
| Mol1530,O=C(NC1CCCC1)c1cc(C2CC2)nc2ccccc12,2.14486053 |
| Mol1531,Cn1cc(CCNc2cncc(Br)c2)cn1,2.0416374 |
| Mol1532,N#Cc1cccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(Cc4ccc(F)cc4)C2)C3)c1,3.168006931 |
| Mol1533,Cn1c(C(=O)N2CCN(CCc3ccccc3)C(=O)C2)cc(=O)n(C)c1=O,1.501552187 |
| Mol1534,Cc1noc(-c2ccc(NC(=O)Cc3ccccc3)cc2)n1,1.757008635 |
| Mol1535,Cc1ccc(C2(O)CCN(Cc3cn(C)c4ccc(F)cc34)CC2)cc1,3.253114742 |
| Mol1536,Cc1nnnn1CCN(C)c1ccccc1,2.344040372 |
| Mol1537,CCC(=O)NCc1ccnc(N(C)C)c1,1.027920136 |
| Mol1538,Cc1nn(C)c(C)c1NC(=O)CN1CCC2(CCCCC2)CC1,2.696723243 |
| Mol1539,c1ccc2c(c1)CCN(Cc1nnc3n1CCC3)C2,1.538121108 |
| Mol1540,O=C(NCc1nnc2n1-c1ccccc1CC2)c1ccc2ccccc2c1,2.713096391 |
| Mol1541,Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc4c(c3)CCO4)cn2)n1,2.024374822 |
| Mol1542,O=C(NCCc1ccc2c(c1)OCO2)C1CCCC1,2.778333616 |
| Mol1543,O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1,2.906852008 |
| Mol1544,O=C(/C=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1cnccn1,1.155093008 |
| Mol1545,CCn1ncc(-c2cc(C(F)F)nc(NCCCOC)n2)c1C,2.614855049 |
| Mol1546,Cc1cc(C)c(NC(=O)c2cc(Cl)ccc2F)c(C)n1,1.602135986 |
| Mol1547,CCc1nnc(NC(=O)c2ccc3cc(OC)ccc3n2)s1,2.021900133 |
| Mol1548,CNC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCN(c2ccc(C(N)=O)cc2)CC1,1.027920136 |
| Mol1549,CCc1nnc(Nc2cccc(C3CCCN(CC(=O)N4CCCC4)C3)n2)s1,2.268868029 |
| Mol1550,Cc1cc(C)n(-c2cc(Nc3ccccc3C)ncn2)n1,2.456921453 |
| Mol1551,O=C(CC(=O)N1CCCC1)N1CCCC1,1.027920136 |
| Mol1552,CCNC(=O)N1CCc2nc3ccc(F)cn3c(=O)c2C1,1.027920136 |
| Mol1553,CNC(=O)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1,1.027920136 |
| Mol1554,COc1ccc(CC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1OC,2.829490319 |
| Mol1555,Cc1cc(C)nc(-n2nc(C)c(CC(=O)NC3CCCCCC3)c2C)n1,2.919948425 |
| Mol1556,CS(=O)(=O)c1ccc(-c2cnc(NCc3ccco3)n3cnnc23)cc1,1.49363926 |
| Mol1557,Cc1ncc(C(=O)Nc2ncnc3oc(C)c(C)c23)s1,2.203019281 |
| Mol1558,Cc1ccc2c(c1)c(Cn1ccnc1-c1cccc(C)n1)nn2C,3.28260127 |
| Mol1559,Cc1noc(C2CCN(CCc3ccccc3)CC2)n1,2.651511578 |
| Mol1560,O=C(Nc1ccc2sccc2c1)N1CCCN(C(=O)Oc2ccccc2)CC1,2.883941791 |
| Mol1561,COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2,2.118145634 |
| Mol1562,Cc1nc(C2CCNCC2)cc(N(C)C)n1,1.027920136 |
| Mol1563,NC(=O)c1ccc(Oc2ccc(C(=O)N3CCCCCC3)cc2)cc1,1.915410389 |
| Mol1564,O=C(CCCOc1ccccc1)N1CCCC1,2.469131012 |
| Mol1565,CN1C(=O)[C@H](Cc2ccccc2)N[C@@H]1C(C)(C)C,2.873374086 |
| Mol1566,Cc1cc2ccccc2n1CC(=O)N1CCc2ccc(O)cc2C1,2.658493149 |
| Mol1567,O=C(Nc1ccc2c3c(cccc13)CC2)c1ccnc(-n2cncn2)c1,2.215182677 |
| Mol1568,Cc1ccc(-c2nc(CC(=O)NCCC(C)C)cs2)cc1,3.786244663 |
| Mol1569,O=C(Nc1ccc(F)cc1)c1cc(C2CC2)nn1-c1ccccc1,1.882689573 |
| Mol1570,CC(C)(C)NC(=O)c1cnc(-c2ccc(Cl)s2)s1,2.223550451 |
| Mol1571,CCC(C)(C)NC(=O)C1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCOCC1,3.006561448 |
| Mol1572,Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1,1.772336379 |
| Mol1573,CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O,1.539841088 |
| Mol1574,Cc1cc(C(=O)Nc2ccc(C)c(C)c2)n(-c2ccccc2)n1,3.312518816 |
| Mol1575,CC(=O)Nc1cccc(OCC(=O)N2CCCCC2)c1,2.098847848 |
| Mol1576,O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O,1.703497726 |
| Mol1577,O=C(NCCc1cnn(-c2ccccc2)c1)N1CCC1,1.738788483 |
| Mol1578,COc1cc(NC(=O)c2ccc(F)cc2C)ncn1,1.690718691 |
| Mol1579,Cc1cc(C)c(-n2cccn2)c(-c2cn(C[C@@H]3CCCO3)nn2)c1,2.704983974 |
| Mol1580,CN(C)Cc1csc(-c2nccn2-c2ccc3c(c2)n(C)c(=O)n3C)c1,1.582188404 |
| Mol1581,COc1cccc(OCCCN)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1,2.709212277 |
| Mol1582,O=C(CC1CCCC1)NCc1nnc2n1CCC2,1.027920136 |
| Mol1583,COCC1(c2nc(-c3ccncc3)nn2Cc2cccc(Cl)c2)CC1,3.153666112 |
| Mol1584,Cc1ccsc1C(=O)NCc1ccc2c(c1)OCCCO2,2.978817107 |
| Mol1585,CCNc1ccnc(N(C)Cc2nc3ccccc3n2C)n1,2.637424681 |
| Mol1586,COc1ncccc1CNc1ncnc2c1cnn2C,1.460085599 |
| Mol1587,C#CCNC(=O)c1ccc2c(c1)OCO2,1.536823483 |
| Mol1588,CC(C)(C)c1nccc(NCc2ccncc2)n1,2.873938755 |
| Mol1589,CCC(=O)NCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12,1.904785849 |
| Mol1590,CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1,2.971121777 |
| Mol1591,Cc1c(C(=O)NCc2cnc(N(C)C)n2C)sc2ccccc12,2.502078725 |
| Mol1592,CN1CCC(C(=O)N2CCC(c3cc(C(F)(F)F)c4c(n3)CCNC4=O)CC2)CC1,1.040087843 |
| Mol1593,Cn1cc(NC(=O)c2ccc(OCC3CCOCC3)nc2)cn1,1.614781248 |
| Mol1594,CC(C)(C)NC(=O)NCCn1nc2c(cc1=O)CCCC2,2.020725804 |
| Mol1595,COc1cc2nc(/C=C/c3cocn3)sc2cc1OC,1.871993017 |
| Mol1596,CCOc1ncccc1-c1nc(C)cc(NC)n1,1.41715603 |
| Mol1597,Cc1nc(CN(C)C(=O)C2c3ccccc3-c3ccccc32)no1,2.633059218 |
| Mol1598,O=C(Nc1nccs1)C1CCN(C(=O)CN2CCc3ccccc32)CC1,2.595374955 |
| Mol1599,O=C1Nc2ccccc2O[C@H]2C[C@@H]1N(Cc1cccnc1)C2,2.448468243 |
| Mol1600,CC1(c2nnc(-c3ccc4c(c3)OCCO4)o2)CCOCC1,2.392200836 |
| Mol1601,CCN(CC#N)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2,2.598360375 |
| Mol1602,O=C(c1ccccc1-c1ncc(-c2ccccc2F)o1)N1CCC1,2.658512217 |
| Mol1603,Cc1cccc(OCCCNc2cc(Cn3c(C)nc4ccccc43)nc(N)n2)c1,3.311419856 |
| Mol1604,CN(C)c1ccc(C(=O)N2CCN3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1,2.589451384 |
| Mol1605,Cc1cc(C(=O)NCC2CC2)n2nccc2n1,1.874510808 |
| Mol1606,Cn1cnnc1-c1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1,1.254523909 |
| Mol1607,O=C(NCc1ccc(F)cc1)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1,3.294946991 |
| Mol1608,Cc1cncc(C2CCN(Cc3cnccn3)CC2)n1,1.782415288 |
| Mol1609,CC(=O)N1CCCN(C(=O)Cc2csc(C(C)C)n2)CC1,1.523304145 |
| Mol1610,O=C(CSc1ccc(F)cc1)N1CCCC1,2.069686593 |
| Mol1611,O=C(c1ccc(F)cc1)N1CCN(CC(=O)N2CCCC2=O)CC1,1.14928071 |
| Mol1612,O=C(c1ccncc1)N1CCC(c2cnccn2)CC1,1.027920136 |
| Mol1613,COc1ccc(/C=C/C(=O)c2c(C)nc3ccccc3c2N)cc1,3.075357144 |
| Mol1614,CCn1ncc(CN2CCC(c3nc(N(C)C)ncc3-c3ccc(OC)cc3)CC2)c1C,2.91951792 |
| Mol1615,O=C(Cc1ccc(F)cc1)NCCn1cccnc1=O,1.355125725 |
| Mol1616,Cc1cnc(-n2cnnc2)c(-c2cccc(Cl)c2Cl)c1,2.218672021 |
| Mol1617,Cc1cccc(-n2c(S)nnc2CNc2ccc(F)cc2)c1,2.274009979 |
| Mol1618,COc1ccc(-c2cccc(C3CCCN(C(=O)C4CCCC4)C3)n2)cc1,3.296850932 |
| Mol1619,c1cc2c(N3CCNCC3)nc(-c3ccnc(NC4CCCCC4)c3)cc2cn1,2.415384063 |
| Mol1620,O=C(Nc1ccccc1)N1CCCc2cnc(N3CCOCC3)nc21,2.062675977 |
| Mol1621,CSc1ccc(CN(CCO)C(=O)CCc2cccc(F)c2)cc1,3.400589963 |
| Mol1622,COC(=O)[C@@H]1C[C@H](O)CN1CCc1ccccc1F,3.528063335 |
| Mol1623,CC(C(=O)Nc1ccccc1)N1CCCC(c2nc3ccccc3o2)C1,3.477423636 |
| Mol1624,CC(=O)Nc1ccc(S(=O)(=O)NC2=NCN(Cc3ccccc3)CN2)cc1,1.027920136 |
| Mol1625,COc1ccc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1F,2.573176894 |
| Mol1626,CCN(CC)CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.371104822 |
| Mol1627,COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCC(N)=O,2.442962399 |
| Mol1628,Clc1ccc(COc2cccc(N3CCNCC3)c2)cc1,2.50573588 |
| Mol1629,CCOc1ccc(Nc2ncccc2C#N)cc1,2.503695373 |
| Mol1630,CCc1nc2ccc(C(=O)NCc3ccccc3)cc2nc1CC,2.974492349 |
| Mol1631,Cc1cccc2cc(C(=O)NCCSc3nccn3C)n(C)c12,2.861604896 |
| Mol1632,N#Cc1ccc(C(=O)Nn2cnnc2)cc1,1.027920136 |
| Mol1633,O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2ccc(O)c(O)c2)n1,2.040163077 |
| Mol1634,CN(C)C(=O)Cn1cc(C(=O)O)ccc1=O,1.027920136 |
| Mol1635,Cn1cc(-c2nc(C(=O)Nc3ccc4c(c3)OCCCO4)cs2)cn1,2.354891768 |
| Mol1636,Cc1nc(-c2ccc(C)c(O)c2)n(C(C)(C)C)n1,2.091737283 |
| Mol1637,C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1,2.504950428 |
| Mol1638,Clc1ccc2[nH]c(COc3ccccc3)nc2c1,2.528736778 |
| Mol1639,COc1cc(-c2ccc(C)s2)cc2c1OCCN(c1noc(C)n1)C2,2.973013259 |
| Mol1640,CCCCNC(=O)c1ccc2c(c1)nnn2C,1.027920136 |
| Mol1641,CN1C(=O)CCc2cc(NC(=O)C(C)(C)c3ccccc3F)ccc21,2.558641382 |
| Mol1642,Cc1csc(CCNc2ncccc2C#N)n1,2.942744984 |
| Mol1643,c1cnc(NCCc2cccc3cccnc23)nc1,2.943789222 |
| Mol1644,Nc1ccc(Cl)c(NC2=NN(c3c(Cl)cc(Cl)cc3Cl)C(=O)C2)c1,2.846444126 |
| Mol1645,Cn1cc(C(=O)N2CCC(CC(=O)O)CC2)cn1,1.027920136 |
| Mol1646,C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,2.027019174 |
| Mol1647,N#Cc1cccc(CN2CCN(CCO)CC2)c1,2.100518731 |
| Mol1648,O=C(NCCCn1ccnc1)N1CC2(CCCC2)c2ccccc21,2.873165344 |
| Mol1649,CC(C)CCN1CCn2c1nc1c2c(=O)n(C)c(=O)n1C,1.998734361 |
| Mol1650,Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)Nc3nc(C4CC4)cs3)cc12,1.510558414 |
| Mol1651,N#CCN1CCCN(Cc2ccc(C#N)cc2)CC1,2.426488489 |
| Mol1652,Cc1cc(C(=O)Nc2ncccc2C)c2ccccc2n1,1.765996201 |
| Mol1653,COc1ccc(CCn2c(C)c3c(=O)n(-c4nc5ccccc5s4)[nH]c3cc2=O)cc1,2.950275747 |
| Mol1654,O=c1[nH]c2ccccc2n1C1CCN(CCc2ccncc2)CC1,2.504750787 |
| Mol1655,NCCn1cc(NC(=O)c2ccccc2)cn1,1.027920136 |
| Mol1656,Cc1nc(-c2ccccc2)ccc1C(=O)NC1CCCC1,2.50408193 |
| Mol1657,CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,3.038249682 |
| Mol1658,COc1ccc(/C=C/C(=O)c2c(C)nc3ccccc3c2N)c(OC)c1,2.91044777 |
| Mol1659,Cc1ccc(C(=O)Nc2ccccc2C#N)cc1,2.237164067 |
| Mol1660,CCCCN(C)C(=O)c1cn(-c2ccc(C)c(C)c2)nn1,2.724528179 |
| Mol1661,Cc1cccc(NC(=O)c2noc3c2CCCC3)n1,3.029332228 |
| Mol1662,CN(C)c1cccc(C2CCN(c3ncccn3)CC2)n1,3.351413426 |
| Mol1663,O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1,1.283753383 |
| Mol1664,O=C(O)c1cnn(-c2ccncc2)c1C(F)F,1.027920136 |
| Mol1665,Cc1cccc(OCC(=O)Nc2ccn(C)n2)c1,2.680598368 |
| Mol1666,CNCCN1CCC(OCc2ccccc2)CC1,2.154019011 |
| Mol1667,c1ccc2[nH]c(SCc3cn4ccccc4n3)nc2c1,2.664452988 |
| Mol1668,CNc1nc(C2CCNCC2)nc2c1CN(C)CC2,1.464370301 |
| Mol1669,Cc1ccc(NC(=O)[C@H]2COc3ccccc3O2)nc1,3.12093635 |
| Mol1670,COc1cc(CCNC(=O)c2nc3cccc(C)n3c2F)cc(OC)c1,2.914215125 |
| Mol1671,Cc1cc(C(=O)NC2CCN(c3ncnc4sc(C)c(C)c34)CC2)on1,2.566037781 |
| Mol1672,Cc1ccc(CN(C)Cc2c(C)noc2C)o1,3.104535933 |
| Mol1673,CC(=O)N1CCc2cc(Nc3nccc(C(F)(F)F)n3)ccc21,2.433196795 |
| Mol1674,CCc1csc(NC(=O)c2ccc3c(c2)nc(C)n3C)n1,2.031832452 |
| Mol1675,CC(C)c1noc(CN(C)C2CCCC2)n1,2.817506534 |
| Mol1676,CN(C)Cc1ccc(-c2ccccc2C(=O)O)cc1,1.027920136 |
| Mol1677,CCCN1CCCN(C(=O)c2nc3ccccc3[nH]2)CC1,2.227326129 |
| Mol1678,CC1(COc2ccc3c(c2)ncn3-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1,2.292880475 |
| Mol1679,CN1C(=O)[C@@H](NC(=O)c2nnc(Cc3ccccc3)[nH]2)COc2ccccc21,2.015812259 |
| Mol1680,C=CCn1cc(CNCc2csc3ccc(Cl)cc23)c(C)n1,3.505014919 |
| Mol1681,C=C(C)COc1ccc(C(=O)NCCc2cn3ccccc3n2)cc1,3.339503514 |
| Mol1682,NC(=O)C1(CCCc2ccccn2)CCNCC1,1.925827575 |
| Mol1683,c1cc(CC2CCNCC2)c2cccnc2c1,2.149302267 |
| Mol1684,CCOc1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)c1,1.729375404 |
| Mol1685,COCCN(Cc1cccs1)Cc1cccc(C)c1O,3.322859097 |
| Mol1686,COc1cc2c(cc1OC)CN(CN1C(=O)c3cccc4cccc1c34)CC2,2.7024021 |
| Mol1687,CCNC(=O)c1ccnc(-c2ccc(F)c(C)c2)c1,3.029882321 |
| Mol1688,COc1cccc(NC(=O)C2CNC2)c1,1.773925339 |
| Mol1689,Nc1ccnn1Cc1ccc(Cl)c(F)c1,1.563065578 |
| Mol1690,Cc1ccc(CNC(=O)CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1,2.224209228 |
| Mol1691,O=C(O)c1cc(Cl)cc2cccnc12,1.027920136 |
| Mol1692,O=C(NC1CCCCC1)N1CCc2nc3ccccn3c(=O)c2C1,2.089092256 |
| Mol1693,Oc1cccc(CN2CCN(c3ncc(Br)cn3)CC2)c1,2.480900497 |
| Mol1694,Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)O,1.027920136 |
| Mol1695,Cc1ccccc1NC(=O)CN1C(=O)CCC1=O,1.027920136 |
| Mol1696,CN(Cc1c(F)cccc1Cl)C(=O)C1(C#N)CCCC1,3.098164526 |
| Mol1697,COc1ccc(C2(NCc3cnn(-c4ccccc4)c3)CCCC2)cc1,2.989325652 |
| Mol1698,CC(C)N1CC[C@H](c2nnc(-c3cncn3C)o2)C1,1.898834838 |
| Mol1699,C#CCN1CCN(Cc2nc(O)cc(C(F)(F)F)n2)CC1,1.027920136 |
| Mol1700,CCc1cc2c(Nc3cnn(CC)c3)ncnc2s1,2.00858314 |
| Mol1701,CS(=O)(=O)CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.027920136 |
| Mol1702,O=c1[nH]c2ccccc2n1C1CCN(S(=O)(=O)Cc2ccccc2)CC1,3.823444232 |
| Mol1703,CCc1nnc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)o1,1.51913204 |
| Mol1704,CC1CC1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,2.208543468 |
| Mol1705,O=c1[nH]c2ccccc2n1C1CCN(c2ncnc3sccc23)CC1,2.530508335 |
| Mol1706,O=C(CSCCCn1c(=O)[nH]c2ccccc21)N1CCCCC1,2.880727296 |
| Mol1707,CCOC(C)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.879800964 |
| Mol1708,O=C1CCCN1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.19529066 |
| Mol1709,CC(=O)NCc1ncc(-c2ccccc2C(=O)O)cn1,1.027920136 |
| Mol1710,Cn1cc(NC(=O)c2csc(Cc3ccccc3)n2)cn1,1.811286721 |
| Mol1711,CCn1c(COC(=O)c2ccc(C)s2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21,2.886557838 |
| Mol1712,Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1,1.027920136 |
| Mol1713,Cc1cc(F)ccc1C(=O)NCc1ccc(O)c(O)c1,1.923616999 |
| Mol1714,Cc1ccc(OCc2nc3cc(N)ccc3[nH]2)cc1,1.691108027 |
| Mol1715,Cc1cc(Cl)c(OCCCN2CCNCC2)c(Br)c1,2.66329376 |
| Mol1716,CC(C)[C@@H](C(=O)Nc1nc2ccccc2[nH]1)N1Cc2ccccc2C1=O,2.418869481 |
| Mol1717,CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1,2.122412495 |
| Mol1718,Cc1csc(NC(=O)c2cccc(C)c2C)n1,2.961711002 |
| Mol1719,CONC(=O)c1ccccc1Nc1cc(Nc2cc(C)nn2C(C)C)ncc1Cl,2.417979595 |
| Mol1720,c1ccc(Cc2cccc3cc4c(nc23)OCCNC4)cc1,3.048037621 |
| Mol1721,Oc1ccccc1NCc1ccccn1,2.778411749 |
| Mol1722,COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1,1.419162396 |
| Mol1723,CCCc1cc(-c2nn3c(C4CCCC4)nnc3s2)n(C)n1,3.347750248 |
| Mol1724,C/N=C(\NC#N)NCCSCc1nc[nH]c1C,1.027920136 |
| Mol1725,Cc1cc(C)nc(CNC(=O)CC2CCNCC2)n1,1.027920136 |
| Mol1726,Cc1nnc(-c2cccc(C(=O)O)c2)o1,1.027920136 |
| Mol1727,O=C(c1cccs1)N1CCCC(C(=O)N2Cc3ccccc3C(c3ccccc3)C2)C1,3.690644678 |
| Mol1728,Cc1ccsc1-c1nc(CN(C)CCc2cn[nH]c2)c(C)o1,3.084477612 |
| Mol1729,Cc1nc(C#N)c(C#N)n1Cc1csc(-c2cccs2)n1,3.231910288 |
| Mol1730,O=C1CSc2ccc(C(=O)Nc3cc(C4CC4)n[nH]3)cc2N1,2.382882966 |
| Mol1731,CNc1nc(N2CCCCC2)nc(N2CCCCC2)n1,2.903508879 |
| Mol1732,CC(Oc1ccc(Cl)cc1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,2.71993755 |
| Mol1733,Fc1ccc(-c2cc(C3CCNCC3)ccn2)cc1,1.027920136 |
| Mol1734,CCC(CC)NC(=O)c1ccc(C#N)c(C)n1,1.699013432 |
| Mol1735,Cc1cc(Oc2cnccn2)ccc1N,1.494418988 |
| Mol1736,CCN1CCN(c2ccc(NC(=O)c3ncoc3-c3ccc4ccccc4c3)cc2)CC1,2.471762431 |
| Mol1737,CCc1cnc(CCNc2cncc(Cl)n2)s1,2.932178385 |
| Mol1738,Cc1cccc(OCCn2c(N)nc3ccccc32)c1,3.341612954 |
| Mol1739,O=C(COc1ccc2ccc(=O)oc2c1)Nc1cccc(COCc2ccco2)c1,2.628298996 |
| Mol1740,C[C@@H](CN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)NC(=O)c1ccc2ccccc2c1,2.82465617 |
| Mol1741,O=C(Nc1ccccc1)Nc1ccccc1,1.960965202 |
| Mol1742,Cc1noc(-c2ccccc2C(=O)O)n1,1.027920136 |
| Mol1743,C[C@@H](CN1CCC2(CC1)C(=O)NCN2c1cccc(F)c1)NC(=O)c1ccc(Br)cc1,2.493792531 |
| Mol1744,Cn1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)n1,1.817624858 |
| Mol1745,O=C(COc1ccc2oc3c(c2c1)CCCC3)N1CCOCC1,3.474290146 |
| Mol1746,c1ccc(-c2ccc(Cn3ccnc3-c3cc4n(n3)CCCNC4)cc2)cc1,2.600990311 |
| Mol1747,CNc1cc(C)nc(-c2ccnc3c2ccn3C)n1,1.914776706 |
| Mol1748,CS(=O)(=O)N1CCC(Nc2ccc3ccc(F)cc3n2)CC1,1.991101974 |
| Mol1749,O=C(Nc1cccc2cnccc12)c1cccc(F)c1,2.119028122 |
| Mol1750,NCc1ccc(Oc2ccccc2)nc1,1.702990278 |
| Mol1751,O=C(c1ccc(F)cc1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccc(Cl)cc2)no1,2.124628105 |
| Mol1752,Nc1cnn(CC(=O)N2CCCCC2)c1,1.027920136 |
| Mol1753,Nc1cnn(CC(=O)Nc2ccc(F)cc2)c1,1.795024484 |
| Mol1754,CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,1.975441 |
| Mol1755,Cc1noc(C2CCN(CC(N)=O)CC2)n1,1.473282548 |
| Mol1756,CN(NC(=O)c1ccn(-c2ccccc2)n1)c1ccccc1,3.279867166 |
| Mol1757,COc1cc2c(c(OC)c1OC)CCNC(=O)C2,1.027920136 |
| Mol1758,Cc1nn(C)c2nc(C(C)C)cc(C(=O)O)c12,1.027920136 |
| Mol1759,CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2c1=O,1.027920136 |
| Mol1760,O=C(C1CC1c1ccc(F)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,2.366900885 |
| Mol1761,O=C(C1CC1c1ccccc1F)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,3.076226338 |
| Mol1762,Cc1cccc(COc2cccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)c2)c1,2.468424138 |
| Mol1763,Cc1ccn(-c2ccc3[nH]c4c(c3c2)CCCC4=O)n1,2.709644718 |
| Mol1764,COc1cc(CN(C)C(=O)Nc2cccc(C)c2C)ccc1O,2.135615992 |
| Mol1765,CSCC(=O)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1,2.98222011 |
| Mol1766,O=C(C1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCc2ccccc2C1,3.500597596 |
| Mol1767,CCC(=O)N1CCCC(C(=O)N2CCc3c(Cl)cc(Cl)cc3C2C)C1,3.17909284 |
| Mol1768,O=C(C1CC1)N1CCCC(C(=O)N2CCc3ccccc3C2Cc2ccccc2)C1,3.64244879 |
| Mol1769,O=C(C1CCCN(c2cnccn2)C1)N1CCc2ccccc2C1,3.652849871 |
| Mol1770,O=C(C1CCCN(C(=O)N2CCCC2)C1)N1CCc2ccccc2C1,3.004011237 |
| Mol1771,O=C(C1CCCN(c2ccc(Cl)nn2)C1)N1CCc2ccccc2C1,3.217462624 |
| Mol1772,O=C(C1CCCN(c2ccccn2)C1)N1CCc2ccccc2C1,3.181841302 |
| Mol1773,CC(=O)N1CCCC(C(=O)N2CCc3c(cccc3C(C)C)C2)C1,2.704202011 |
| Mol1774,CSc1ccccc1NC(=O)CN1CCCC(c2nc3ccccc3o2)C1,3.669126847 |
| Mol1775,CCONC(=O)c1cnn(-c2cccc(Cl)c2)c1,2.649659971 |
| Mol1776,Cc1ccc(NC(=O)c2cccc3cccnc23)cc1,2.379945155 |
| Mol1777,Cc1cnn(Cc2cc(F)ccc2F)c1N,1.027920136 |
| Mol1778,CCOc1cc(CNc2ccc(N3CCOCC3)c(C(=O)O)c2)cc(Cl)c1OC,2.187043863 |
| Mol1779,O=C(Cn1ccnc1)NCc1ccccc1F,1.027920136 |
| Mol1780,C#CCN1CCN(C(=O)CCS(C)(=O)=O)CC1,1.027920136 |
| Mol1781,Cc1nnc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)s1,2.356763722 |
| Mol1782,CC(C)c1ccc(NC(=O)c2ccc3nccnc3c2)cc1,2.784010711 |
| Mol1783,CC(C)CCNC(=O)c1ccc2ccccc2n1,2.805974993 |
| Mol1784,Cc1ccc(-c2nc(-c3ccncc3)n[nH]2)cc1,2.429548808 |
| Mol1785,Nc1nccc2ccc(-c3cccc(F)c3)cc12,2.897845283 |
| Mol1786,Cc1ccc2oc([C@H]3CCN(Cc4ccc(C#N)cc4)C3)nc2c1,2.544928336 |
| Mol1787,COc1ccc(-c2ccc(CNc3ccc(CN4CCC(C)CC4)cc3)cc2)cc1,1.517341079 |
| Mol1788,c1ccc(-n2cnc3cc(NCc4ccccn4)ccc32)cc1,3.505462287 |
| Mol1789,Cc1ccc(NC(=O)c2cc(F)cc(F)c2)nc1,2.454623847 |
| Mol1790,CCONC(=O)Cc1coc2c(C)c(C)ccc12,3.024431891 |
| Mol1791,O=C(NCc1cccc(O)c1)Nc1ccccc1F,1.76993092 |
| Mol1792,O=C(NCCc1ccc(O)c(O)c1)Nc1ccccn1,2.172144462 |
| Mol1793,N#CC1(NC(=O)C2CCCCCC2)CC1,1.027920136 |
| Mol1794,Fc1cccc(N[C@H]2CCCN[C@H]2Cc2ccccc2)c1,2.818103112 |
| Mol1795,CCOc1cc2c(cc1CCC(=O)N1CCC(Cc3ncncc3C(N)=O)CC1)CCC2,3.217347844 |
| Mol1796,CC(=O)n1c(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc2ccccc21,2.158657953 |
| Mol1797,Cc1nc2cc(C(=O)N3CCc4nc5ccccc5c(=O)n4CC3)ccc2n1C,1.393452355 |
| Mol1798,Cc1ccc(OCC(=O)Nc2ccncc2)c(C)c1,2.705552413 |
| Mol1799,Fc1ccc(-c2nnc(CN3CCC(c4c[nH]c5ccccc45)CC3)o2)cc1,2.362456085 |
| Mol1800,Cc1cc(C(=O)NCC2(c3ccccc3)CC2)on1,2.037653547 |
| Mol1801,Cc1cc(F)ccc1NC(=O)Cn1cncn1,1.027920136 |
| Mol1802,Cc1ccc(-c2nnc(SCCn3cccn3)[nH]2)cc1,2.480632049 |
| Mol1803,Cc1cccnc1NC(=O)c1csc(-c2ccccc2)n1,2.664205582 |
| Mol1804,CC(c1ccccc1)N1CC(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1=O,2.657034807 |
| Mol1805,CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3nccnc3N(C)S(C)(=O)=O)n2)cc1,2.148278664 |
| Mol1806,O=C(Nc1ccccn1)c1cccc2ccccc12,2.144885418 |
| Mol1807,O=C(CN1CCSC1=O)N1CCN(Cc2sc3ccccc3c2Cl)CC1,2.543166258 |
| Mol1808,CC(=O)N1CCC(c2ccc(C(=O)O)cn2)CC1,1.027920136 |
| Mol1809,CCS(=O)(=O)CC(=O)Nc1cc(C)ccc1C,1.027920136 |
| Mol1810,O=C(Nc1cccc(Cl)c1F)c1cccc(N2CCCC2=O)c1,2.951315658 |
| Mol1811,Cc1ccc2cc(C(=O)N(C)CCC#N)[nH]c2c1,2.087809802 |
| Mol1812,CCN(C(=O)CO)[C@H]1CN(/C(=N\C#N)Nc2cccc(OC(F)F)c2)N=C1c1ccc(Cl)c(Cl)c1,2.264328967 |
| Mol1813,CCCc1nnc2sc(-c3cc(C(C)C)nn3C)nn12,2.772900136 |
| Mol1814,Oc1ccc(-c2noc(-c3cccnc3)n2)cc1,1.899426505 |
| Mol1815,CONC(=O)c1cn(-c2ccc(Br)cc2)cn1,2.665532212 |
| Mol1816,CC1(C(=O)O)CCN(Cc2ccccc2)CC1,1.027920136 |
| Mol1817,CN(CCN(C)C1CCCC1)C(=O)c1ccc(-c2nc[nH]n2)cc1,1.293030906 |
| Mol1818,COc1ncc(-c2cccc(N(C)C)c2)c(OC)n1,3.348596113 |
| Mol1819,O=C1C(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CCN1c1ccccc1,2.143732823 |
| Mol1820,O=C(NCCc1cccc2cccnc12)C1CCCCC1,2.957114776 |
| Mol1821,CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COc1ccccc1Cc1ccccc1,3.167441401 |
| Mol1822,Cc1nc(C2CCN(CC(N)=O)CC2)no1,1.027920136 |
| Mol1823,CN(C)[C@@H]1CN(C(=O)COc2ccccc2)C[C@H]1O,1.245315216 |
| Mol1824,O=C(CCN1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1)c1ccc2[nH]c(=O)oc2c1,2.71009112 |
| Mol1825,CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1cnn(C)c1,2.128295853 |
| Mol1826,COc1ccc(N)cc1N1CCOC1=O,1.027920136 |
| Mol1827,CCCCCCCC/C(=C\CCCCCCCC(=O)O)[N+](=O)[O-],1.929096918 |
| Mol1828,COCCOc1ccc2c(c1)ncn2-c1ccc2cccc(N3CCC(N)CC3)c2n1,2.410868299 |
| Mol1829,COc1ncccc1NC(=O)c1cccc(C)n1,2.26479658 |
| Mol1830,O=C(NCc1ccc(O)cc1)Nc1ccncc1F,1.027920136 |
| Mol1831,N#Cc1cccc(CN2CCOC[C@H](O)C2)c1,1.079325987 |
| Mol1832,NC(=O)CN1CCC(CCc2ccccc2)CC1,2.663650051 |
| Mol1833,O=c1[nH]c2ccccc2n1C1CCN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1,3.036170009 |
| Mol1834,COc1ccccc1C(=O)Nc1cccc(-c2ccnc(C)n2)c1,2.221990307 |
| Mol1835,Cc1nc2ccc(C(=O)NCCCc3ccc(F)cc3)cc2[nH]1,2.291031231 |
| Mol1836,COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1cc(F)c(F)c(F)c1F,1.954932007 |
| Mol1837,c1nc(Nc2ccc3c(c2)OCCCO3)c2sccc2n1,3.196558892 |
| Mol1838,CC(C)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1,2.289501996 |
| Mol1839,CN1CCN(C(=O)C2(NC(=O)c3cc(Cl)c4c(c3)OCO4)CCCC2)CC1,1.576249182 |
| Mol1840,COCc1ccc(-c2nc3c([nH]2)c(C)nn3C2CCCCC2)o1,2.685304538 |
| Mol1841,N#Cc1cccnc1Nc1cnn(Cc2ccccc2)c1,2.929307528 |
| Mol1842,COCc1nc(C2CCN(CCO)CC2)no1,1.859606578 |
| Mol1843,CN(CCC#N)Cc1cc(C#N)ccc1F,1.027920136 |
| Mol1844,Cc1cccnc1NC(=O)CCc1ccc(F)cc1,2.882886394 |
| Mol1845,COC(=O)[C@]12CCC(C)(C)CC1C1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2,2.508843375 |
| Mol1846,CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccc(OC3CCCC3)cc2)CC1,2.539204109 |
| Mol1847,CC(=O)N1c2ccccc2C[C@H]1C(=O)O,1.027920136 |
| Mol1848,C[C@H](C(=O)Nc1nc2ccccc2[nH]1)N1Cc2ccccc2C1=O,1.796504952 |
| Mol1849,O=C(Nc1cc(Cl)ccc1Cl)c1cccc(N2CCCC2=O)c1,2.986506599 |
| Mol1850,Cn1ccc2c(NC(=O)N3CCCN(C(=O)Oc4ccccc4)CC3)cccc21,2.890300272 |
| Mol1851,Cc1cccc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1C,3.42223599 |
| Mol1852,O=C1NCN(c2ccccc2)C12CCN(CCCOc1ccc(F)cc1)CC2,2.739014285 |
| Mol1853,COc1ccc(CN(C)c2ncncc2Br)cc1O,2.325086493 |
| Mol1854,O=C(NCc1ccc(O)c(O)c1)c1ccc2ccccc2n1,2.497681405 |
| Mol1855,COc1ccc2c(c1)CN(c1nc(C)cc(C)n1)CC2,2.684467433 |
| Mol1856,Cc1ccc(F)cc1C(=O)N1CCc2c(nc(-c3ccccn3)nc2N(C)C)C1,1.789756932 |
| Mol1857,COc1ccc(CCCNc2nnc(C)o2)cc1,2.180283615 |
| Mol1858,Cn1c(=O)c2c(ncn2C)n(C)c1=O,1.027920136 |
| Mol1859,CC(C)c1nc(S(=O)(=O)N2CC3(CC3)c3ccccc32)c[nH]1,3.492901407 |
| Mol1860,NC(=O)COc1ccccc1C(=O)Nc1cccc(-c2ccc3ccccc3c2)n1,3.027327179 |
| Mol1861,CN1CCC(O)(CNC(=O)C2CCCCCC2)CC1,2.661105317 |
| Mol1862,Cc1cc(-n2ccnc2)ccc1C(=O)O,1.027920136 |
| Mol1863,O=C1CC(N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C(=O)N1c1ccccc1,3.1082077 |
| Mol1864,O=C(NCc1cnn2cccnc12)c1ccccc1-n1cnnc1,1.027920136 |
| Mol1865,Brc1nnc(N2CCC(OC3CCCC3)CC2)s1,3.492200892 |
| Mol1866,Cc1ccc(CCNc2ccc(C#N)nc2)cn1,1.653983907 |
| Mol1867,Cn1cc(CNc2ncccn2)c(C(C)(C)C)n1,2.559899447 |
| Mol1868,[2H]c1nc(C)nc([2H])c1-c1cc(NC[C@@H](C)c2cccc3c(C(=O)NC)ccnc23)ncn1,1.947002154 |
| Mol1869,CC(=O)Nc1ccccc1CN1CCC(c2nnc3ccccn23)CC1,2.058422228 |
| Mol1870,O=C(Nc1ccc2[nH]ncc2c1)[C@H]1CCCNC1,2.535463753 |
| Mol1871,CCc1cc(=O)[nH]c(SCCN2CCCCC2)n1,2.64412137 |
| Mol1872,CCCn1ncc(CN2CCC(c3cc4cccnc4[nH]3)CC2)c1C,2.303200379 |
| Mol1873,O=c1cc2c(n[nH]1)-c1cnc(N3CCCC3)nc1CC2,2.012630569 |
| Mol1874,O=C(c1ccc(-c2ccncc2)cc1)N1CCC(O)(CN2CCCC2)CC1,1.880870733 |
| Mol1875,Cc1nc2cc(-c3nccn3C)nn2c(NCCCN(C)C)c1C,2.778638834 |
| Mol1876,CN(C)CCSc1nnnn1-c1ccc(Br)cc1,3.239850821 |
| Mol1877,Cc1ccc(Nc2ccnc(Nc3ccc(C)cc3)n2)cc1,2.678859671 |
| Mol1878,Cc1cnn(CC(=O)NCCCn2cc(Cl)cn2)c1,1.674291502 |
| Mol1879,CN(CCCC1CCCC1)Cc1cc(=O)[nH]c(=O)[nH]1,2.217210121 |
| Mol1880,C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F,2.495082047 |
| Mol1881,CC(C)N(C(=O)Cn1cccc2cc(C(F)F)nc1-2)C(C)C,2.639586087 |
| Mol1882,Cc1noc2ncnc(N3CCCN(C(=O)C4CC4)CC3)c12,2.171749849 |
| Mol1883,CCn1ncc(CN(C)C(=O)c2ccc(-c3nc(C)cc(C)n3)cc2)c1C,2.444113528 |
| Mol1884,O=c1c2cccc(C(F)(F)F)c2ncn1C1CCCC1,2.500527371 |
| Mol1885,COc1cccc(C)c1C(=O)N(C)Cc1ncc[nH]1,2.628094532 |
| Mol1886,COc1ncnc(C)c1-c1cccc(OC(C)C)c1,3.025720705 |
| Mol1887,Fc1cccc(N2CCCC2)c1CN1CCN(Cc2ccon2)CC1,3.538634048 |
| Mol1888,O=S1(=O)CCN(C2CCN(CC(F)(F)F)CC2)CC1,1.302850213 |
| Mol1889,CC(C)n1cnnc1SCOCc1ccccc1,2.340824699 |
| Mol1890,CCn1nccc1CNc1ncccn1,1.027920136 |
| Mol1891,CCn1c(CN2CCCCCC2)nc2ccccc2c1=O,3.350809136 |
| Mol1892,C#CCNC(=O)N(Cc1ccccc1F)C1CCOCC1,1.549799964 |
| Mol1893,CCc1cccc(C)c1NC(=O)c1ccc(C)o1,2.234919503 |
| Mol1894,Cc1ccc2occ(CN3C[C@H]4CCCN4C[C@H]3C)c(=O)c2c1,2.980279322 |
| Mol1895,COCC1(CNS(=O)(=O)c2ccccc2)CCC1,2.998378797 |
| Mol1896,CCC(C)(C)N1CCN(C(=O)Nc2cnn(CC(C)C)c2C(F)F)CC1,2.201618312 |
| Mol1897,Cn1cc(-c2cccc3c(C(N)=O)cccc23)cn1,1.628971005 |
| Mol1898,O=c1c2cnccc2ncn1Cc1ccc2c(c1)CCCO2,2.449104884 |
| Mol1899,CN(CCNC(=O)NC1CCOCC1)C1CCCC1,2.26421553 |
| Mol1900,Cc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CCN(CC4CC4)C[C@H]23)c1,3.368017111 |
| Mol1901,COc1ccc(Cl)cc1NC(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1,3.026313815 |
| Mol1902,Cc1noc(NCc2c(C)nn(C)c2C)n1,1.027920136 |
| Mol1903,Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)CCc3cccc(Cl)c3)C2)n1,3.35585976 |
| Mol1904,Cc1ccc(NC(=O)CN(C)C2CCCCC2)cc1S(=O)(=O)N(C)C,3.587440541 |
| Mol1905,CC(C)Oc1ccc(C#N)cc1NC1CCN(C)CC1,2.000815707 |
| Mol1906,CCc1cc(NS(C)(=O)=O)n(C)n1,1.027920136 |
| Mol1907,Cc1ncc(-c2ccccn2)c(CCNC(=O)C2CCCC2)n1,1.957583345 |
| Mol1908,O=C(Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)C1CC=CC1,2.591758923 |
| Mol1909,Cc1nccc(NC(=O)c2ccc(Cl)nc2Cl)n1,1.182072104 |
| Mol1910,O=c1c2ccccc2nnn1CCOc1ccc(F)cc1,2.09252415 |
| Mol1911,COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1,2.897660624 |
| Mol1912,CC(C)[C@H]1C(=O)N[C@H](CO)Cc2cc(NC(=O)/C=C/C=C/c3ccc(C(F)(F)F)cc3)ccc2N1C,2.642548601 |
| Mol1913,O=C(Nc1ccc(COC2CCCC2)cc1)N1CCC(CO)CC1,2.517033502 |
| Mol1914,COC[C@@H](O)Cn1c(C)nc2ccccc21,1.027920136 |
| Mol1915,c1nn(C2CCOCC2)cc1Nc1ncc2nnn(-c3ccc4cn[nH]c4c3)c2n1,2.883853277 |
| Mol1916,C1CN(c2nc3c(c(N4CCSCC4)n2)SCC3)CCS1,3.183513834 |
| Mol1917,Cc1cc(C)n2nc(C)c(C(=O)NCC3CC3)c2n1,2.02382017 |
| Mol1918,CCN(CC)C(=O)CSCc1cncc(F)c1,2.921820644 |
| Mol1919,Cc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4cccnc4)o3)C2)cc1,2.771756463 |
| Mol1920,CC1(C)[C@H]2CC=C(CN3CCC4(CCC(=O)N4)CC3)[C@@H]1C2,2.292278229 |
| Mol1921,O=C(c1cc(-c2ccc(F)cc2)on1)N1CC[C@H](O)[C@@H](Oc2ccccc2F)CC1,2.777962291 |
| Mol1922,CC(C)c1nsc(N2CCC(Nc3cccnc3)CC2)n1,2.60535246 |
| Mol1923,COc1cccc(Oc2ccc(NC(=O)CN3CCOCC3)cn2)c1,2.140545751 |
| Mol1924,Cc1cc(C(F)(F)F)nc(CCNC(=O)N(C)Cc2c(C)noc2C)n1,2.762027009 |
| Mol1925,CC1(C)[C@H]2C[C@H]3Oc4c(ccc(O)c4C(=O)NCCNc4ccccn4)[C@H](O)[C@@]3(O)[C@@H]1C2,3.30226186 |
| Mol1926,CC(=O)Nc1ccc(CNCCOc2ccc(F)cc2F)cc1,2.057768771 |
| Mol1927,CCCc1cc(O)nc(SCC(=O)N2CCN(C)CC2)n1,1.027920136 |
| Mol1928,CN1CCC(O)(CNS(=O)(=O)CC2CCCCC2)CC1,2.588020584 |
| Mol1929,COCCCNc1ncc(-c2cc(C)no2)c(C(C)C)n1,3.77518235 |
| Mol1930,Nc1ccnc2ccc(Oc3ccccc3)cc12,3.368232757 |
| Mol1931,Cc1ccc(-c2ccc(N(C)CCO)nn2)c(-n2cccn2)c1,1.902051869 |
| Mol1932,COc1ccc(-c2cc(C(C)(C)C)nc(-c3ncccn3)n2)cc1,1.877739821 |
| Mol1933,O=C(CC[C@@H]1CCCN2CCCC[C@H]12)NCc1ncc(Cl)cn1,1.575441879 |
| Mol1934,Cc1nc2ncc3c(n2n1)CCCC3=O,1.027920136 |
| Mol1935,O/N=C1/CCCc2c1cnc1ncnn21,1.027920136 |
| Mol1936,CN(C)CCOc1cc(-c2cn[nH]c2)ccc1NC(=O)C1COc2ccccc2O1,2.839462963 |
| Mol1937,CCc1cc(CNC(=O)Nc2ccc(N3CCSCC3)cc2)on1,3.155026758 |
| Mol1938,CCCN(CCC1=CCCCC1)C(=O)Cc1n[nH]c(=O)[nH]1,3.10539538 |
| Mol1939,C/C(=C/COc1c2occc2cc2ccc(=O)oc12)CO,2.645545073 |
| Mol1940,Cc1cc(-c2nc(N(C)C)no2)cc(O)n1,1.501114059 |
| Mol1941,CCc1cnccc1C(=O)Nc1cnccn1,1.234871459 |
| Mol1942,CN(C)c1nccc(N2CCN(CCCCCF)CC2)n1,3.159829375 |
| Mol1943,CC(=O)NC1CCC(NCCc2c(C)cccc2C)CC1,3.055740984 |
| Mol1944,Cc1nnc2ncc(-c3cccc4ccnn34)cn12,1.598910824 |
| Mol1945,O=C(CC/C=C/c1ccccc1)Nc1ccccc1N1CCOC1=O,2.889610922 |
| Mol1946,COc1cc(CN2C[C@H]3CCc4c(nc(C)[nH]c4=O)[C@H]3C2)cc(OC)c1OC,1.027920136 |
| Mol1947,Cc1ccnc(NCc2cccnc2)n1,1.217904874 |
| Mol1948,CC(=O)N1CCN([C@H]2CCN(C(=O)c3cc4cc(Cl)ccc4o3)CC[C@@H]2O)CC1,1.986426848 |
| Mol1949,c1nc(N2CCC3(CCCCC3)C2)c2cn[nH]c2n1,2.851225317 |
| Mol1950,CC(C)(C)CCCNC(=O)N1CCN(Cc2ccon2)CC1,2.794642079 |
| Mol1951,COc1ccc(-c2nn(C)c3ccccc23)c(OC)c1OC,3.102548267 |
| Mol1952,COCC1(CNC(=O)c2cc(Cl)cnc2O)CCC1,2.676555528 |
| Mol1953,COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1,2.396649106 |
| Mol1954,CCSCCC(=O)NCCn1nc(C)c(CC)c1C,3.187317062 |
| Mol1955,Cc1cccc(NCCc2cc(F)cc3c2OCOC3)n1,3.714726815 |
| Mol1956,COCC1(CNS(=O)(=O)c2ccc3[nH]cnc3c2)CCC1,2.934497441 |
| Mol1957,Clc1ccc(CSc2nc(-c3ccccc3)c[nH]2)cn1,3.458937447 |
| Mol1958,CCc1ccccc1S(=O)(=O)NCCc1cn[nH]c1,2.726353865 |
| Mol1959,Fc1ccc(CN2CCCN(c3ccc4nnnn4n3)CC2)cc1,2.792201119 |
| Mol1960,CC(C)c1nnc(CN(C(C)C)C2CCOCC2)o1,2.343310103 |
| Mol1961,CNc1ncc(CN(C)CCN2CCCCC2)cn1,1.757213769 |
| Mol1962,C#CCOc1ccc(OC)cc1C(N)=O,1.8650862 |
| Mol1963,Cc1cc(C)nc(N2Cc3ccccc3C2=N)n1,3.066215194 |
| Mol1964,O=C(O)c1csc(Cc2ccc(Cl)cc2)n1,1.027920136 |
| Mol1965,CCOc1cc(N(C)CC2CCN(C)CC2)ncn1,2.748801035 |
| Mol1966,O=C(c1cc(F)ccc1F)N1CCN(C(=O)C2CC2)CC1,1.295984701 |
| Mol1967,Cc1ccnc(N2CCC(OCC3CCCC3)CC2)n1,3.771624148 |
| Mol1968,Fc1cc(Br)ccc1CNCc1ccccn1,2.648480035 |
| Mol1969,CN(CCSc1ccc2nnnn2n1)Cc1ccccc1,1.027920136 |
| Mol1970,Cc1cccc(NCCN2C(=O)CCC2=O)n1,1.697891616 |
| Mol1971,Cc1ncsc1CNc1nnc(-c2ccncc2)o1,1.788627886 |
| Mol1972,c1ccc(-c2nc(CSc3ccc(-n4cccn4)nn3)cs2)cc1,2.622862389 |
| Mol1973,CCS(=O)(=O)N(C)c1ccc(N(C)C)cc1,3.474097618 |
| Mol1974,Cc1ccc(CN)c(-n2cc(Cl)cn2)n1,1.437433444 |
| Mol1975,Cc1nccc(NC(=O)c2ccncc2Cl)c1Cl,1.892762235 |
| Mol1976,COC(=O)c1cccc2c1CCCN2C(=O)c1ccc(F)cc1F,3.301822511 |
| Mol1977,CCc1nc(CNc2ccc(C#N)nc2)cs1,2.035977764 |
| Mol1978,O=c1oc2cccnc2n1Cc1ccccn1,1.027920136 |
| Mol1979,Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)COc3ccccc3)C2)n1,2.821966583 |
| Mol1980,CC(C)CCCNC(=O)c1[nH]ncc1Br,2.870509832 |
| Mol1981,COc1cccc(C)c1C(=O)N[C@H](CO)CCSC,2.869796522 |
| Mol1982,N#Cc1cccc(CNCc2ccccn2)c1,1.481084152 |
| Mol1983,CC(=O)N(C)[C@H]1CC2(CCN(C(=O)COc3ccc(F)cc3F)CC2)OC[C@]1(C)O,1.188394071 |
| Mol1984,O=C(CCc1cn[nH]c1)NCCCn1cc(Cl)cn1,1.446148676 |
| Mol1985,Cc1nn(C)c(C)c1-c1cc(C(C)(C)C)nc(N(C)C)n1,2.563052513 |
| Mol1986,C[C@@H](NC(=O)N1CCC2(CCOCC2)CC1)c1ccc(F)cc1,2.375389236 |
| Mol1987,CSc1ncccc1C(=O)Nc1ccc(-c2nnc(C)[nH]2)cc1,1.644162759 |
| Mol1988,CCc1c(C(=O)N2CC[C@@](O)(CC(C)C)[C@@H](Oc3ccc(F)cc3)C2)[nH]c2ccc(C)cc12,3.111775834 |
| Mol1989,COc1cccc(Cn2cnc3c(c2=O)COCC3)c1Cl,2.139690222 |
| Mol1990,CN(Cc1cnc2ccccc2n1)S(=O)(=O)N1CCCC1,3.203587918 |
| Mol1991,CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@H]1O,3.284991458 |
| Mol1992,CCN1CCC(CCNc2ncc(C)c(N(C)C)n2)CC1,2.509163528 |
| Mol1993,Cc1cc(C(=O)N(C)CCCC2CCCC2)cc(C)n1,3.752342439 |
| Mol1994,CC(=O)N1CCC2(C=Cc3cc(C)c(C)cc3O2)CC1,3.00812048 |
| Mol1995,Cc1ccc(=O)n(CCOc2cc(F)cc(Br)c2)n1,2.954910808 |
| Mol1996,COCC(=O)Nc1cc(C#N)cn1C(C)(C)C,1.18568378 |
| Mol1997,Cn1nc(CNC(=O)C2CCC2)c2ccccc21,2.167323243 |
| Mol1998,COc1nc2c(cc1CNC(=O)N1CCC[C@@H]1CO)C(=O)N(C1CCCC1)C2,1.839320894 |
| Mol1999,CN(Cc1ccc(N)nc1)c1nc(C(F)(F)F)cs1,2.066150681 |
| Mol2000,CC(C)c1nnc(CNc2ncc(Br)cn2)n1C,1.027920136 |
| Mol2001,Cn1cc(CN2CCc3nc4ccccc4c(=O)n3CC2)cn1,1.298460069 |
| Mol2002,Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)C(C)C)CC2)on1,2.428572109 |
| Mol2003,NC(=O)CN1CCC(COc2ccccc2C(F)(F)F)CC1,3.044293538 |
| Mol2004,Nc1nnc(SCCSC2CCCCC2)n1C1CC1,2.76529593 |
| Mol2005,Cc1cccnc1CN1CCC(O)(c2ccccc2)CC1,2.834842076 |
| Mol2006,CCc1nccn1Cc1nc(N)nc(N(C)C)n1,1.239149265 |
| Mol2007,O=C(Nc1ccccn1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O,2.89828573 |
| Mol2008,CC1(C)CC(CC(=O)NCCn2ccnn2)CC(C)(C)N1,1.027920136 |
| Mol2009,Cc1nc(NCc2cn(C)nc2-c2cccs2)n(C)n1,1.445370649 |
| Mol2010,CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1CC1(O)CCOCC1,1.614433159 |
| Mol2011,CCc1cc(CNC(=O)NC2CCN(CC3CCCCC3)CC2)on1,1.905153405 |
| Mol2012,Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2[nH]c(C#N)cc12,2.235889367 |
| Mol2013,Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCCCC1,1.393627842 |
| Mol2014,Cc1ccnc(-n2nccc2NC(=O)NC2(C)CCC2)c1,2.969096132 |
| Mol2015,CCOC(=O)c1cccnc1SCc1cccnc1,3.099884622 |
| Mol2016,O=c1c2ccccc2cnn1Cc1cccc(OCC(F)(F)F)c1,1.710091967 |
| Mol2017,O=c1c2oc3ccccc3c2ncn1Cc1ccc(Cl)cc1,2.957348165 |
| Mol2018,Cc1cc(NC(=O)[C@H](C)N(C)C)c2ccccc2n1,2.03661692 |
| Mol2019,CC(=O)N1c2ccc(S(=O)(=O)Nc3cccc(-c4cnco4)c3)cc2CC1C,2.438528109 |
| Mol2020,Cc1cc(Nc2nnc(C)s2)cc(C2CN(C(=O)c3c(C(C)C)noc3C)CCO2)n1,2.178170885 |
| Mol2021,COc1ccc2nc(C)nc(NCc3ncc(C)o3)c2c1,2.471197799 |
| Mol2022,CC(C)c1cc(N(C)Cc2nc(C3CC3)n[nH]2)n[nH]1,1.565186432 |
| Mol2023,Cc1nsc(NCc2cncs2)n1,1.226135722 |
| Mol2024,CCCc1noc2nc(-c3ccncc3)cc(C(=O)O)c12,1.258254054 |
| Mol2025,CC(C)n1cnnc1-c1cccc(N2Cc3ccc(Br)cc3C2=O)n1,1.744605875 |
| Mol2026,CC(C)OCCS(=O)(=O)N1CCc2ccccc2CC1,3.496730851 |
| Mol2027,COC(=O)CCCNC(=O)CN1CCC(C(=O)c2ccc(C)cc2C)CC1,3.280152289 |
| Mol2028,COc1cc(Br)c2c(=O)[nH]c(C)nc2c1,2.170801314 |
| Mol2029,CSc1nnc(CCCNc2cc(C)ccn2)n1C1CCCC1,3.508117314 |
| Mol2030,CC(=O)N1CCN(Cc2nc(O)cc(C(F)(F)F)n2)C(C)(C)C1,1.027920136 |
| Mol2031,CNCc1cc(N(C)C)nc(C2CCCN2C(=O)COc2ccc(F)cc2)n1,2.388197148 |
| Mol2032,Cc1ncsc1-c1cncc(CC2CCCN(C)C2)n1,2.032151179 |
| Mol2033,CC(=O)NCCCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1,2.858805992 |
| Mol2034,COC(C)(C)C(=O)Nc1ccnc(C(C)(C)C)n1,2.023737939 |
| Mol2035,CCCN(CCC1=CCCCC1)C(=O)c1cc(C(F)F)n[nH]1,3.298136445 |
| Mol2036,COc1cccc(C(=O)Nc2nccs2)c1,2.781770449 |
| Mol2037,CCC(CC)N1CC[C@H](O)[C@@](O)(COc2cc(C)ccc2Cl)C1,3.667870235 |
| Mol2038,CSc1ccc(C)c(C(=O)NCCN2CCC(C)CC2)c1,3.242039762 |
| Mol2039,Cc1cnn(CCNC(=O)C2(Cn3cccn3)CC2)c1,2.03343984 |
| Mol2040,C[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1,2.506747142 |
| Mol2041,CNCc1cc(N(C)C)nc(C2CCCN2C(=O)C2CCCC2)n1,2.396668271 |
| Mol2042,CNCc1cc(N(C)C)nc(C2CCCN2C(=O)c2ccccc2-c2ccccc2)n1,2.358298512 |
| Mol2043,CCn1nccc1-c1cc(C)nc(N2CCCC2)n1,2.599547947 |
| Mol2044,c1ccc(NCc2ccc3c(c2)OCCCO3)nc1,3.851427568 |
| Mol2045,CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1,3.581057068 |
| Mol2046,c1ccc(N2CCOCC2)c(CNc2cc(N3CCCC3)ncn2)c1,3.181840445 |
| Mol2047,c1cc(-c2nnc(NCc3cncs3)o2)ccn1,1.96109347 |
| Mol2048,CC1=CCN(C(=O)c2cc(C)nc3cc(C)cc(C)c23)CC1,3.329441815 |
| Mol2049,Cc1nc2n(c1CN1CCN(c3ncccn3)CC1)CCCC2,3.072682506 |
| Mol2050,O=C(Nc1ccn(CC(F)F)n1)NC1CCN(C2CCCC2)CC1,1.027920136 |
| Mol2051,CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@@H]2O)N(C)C1,1.946098397 |
| Mol2052,CCc1nc(CN2CCC(=O)Nc3cc(F)ccc32)n[nH]1,1.207795885 |
| Mol2053,CCCNC(=O)C1(NCc2csnn2)CCCCC1,2.180630442 |
| Mol2054,O=c1c2ccncc2ncn1[C@H]1CCN(Cc2ccccc2)C1,2.901184144 |
| Mol2055,Cc1nc(-c2cccc(-c3ccc(C(=O)NC[C@@H]4CCCN4)cc3)c2)no1,1.479258507 |
| Mol2056,C[C@@H]1NC(=O)N(CCC2Cc3ccccc3C2)C1=O,2.285147574 |
| Mol2057,NC[C@@](O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1,1.447778009 |
| Mol2058,COCCc1n[nH]c(-c2ccc(N3CCN(C)CC3)cc2)n1,1.698848385 |
| Mol2059,CCCn1cc(NC(=O)Nc2ccc(N3CCSCC3)cc2)cn1,2.907583862 |
| Mol2060,CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(C[C@@H](C)C[C@@H](OC)[C@@H](O)[C@@H](C)/C=C(\C)[C@H]1OC(N)=O)C2=O,1.866807 |
| Mol2061,COc1cccc(F)c1NC(=O)N1CCC(N2CC=CC2)CC1,2.560247466 |
| Mol2062,O=C(NCCN1CCc2ccccc2C1=O)c1ccon1,1.750438964 |
| Mol2063,Cc1nnc2ncc(-c3cccc(-c4ccnn4C)c3)cn12,1.49159979 |
| Mol2064,O=C(Cn1cc(NCc2cccc(Cl)c2)cn1)N1CCOCC1,1.856849679 |
| Mol2065,COc1nc2c(cc1CNC(=O)N1CC[C@@H](O)C1)C(=O)N(C1CCCC1)C2,1.027920136 |
| Mol2066,CCc1nc(N2CC(CO)C2)c2ccsc2n1,1.698917886 |
| Mol2067,CCc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)[nH]c2ccc(Cl)cc12,2.684616489 |
| Mol2068,CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(N[C@H]4CC[C@@H](O)CC4)c3)c2C1,2.032219736 |
| Mol2069,O=C(c1cn(Cc2cncn2Cc2ccc(Br)cc2)cc1-c1cccc2ccccc12)N1CCOCC1,3.303574442 |
| Mol2070,Clc1ccc2c(NCCN3CCOCC3)ncnc2c1,2.329078398 |
| Mol2071,O=C(NCc1cccs1)c1cccnc1,1.027920136 |
| Mol2072,COc1cc(OC)cc(-c2c(C)ncnc2OC)c1,2.030190734 |
| Mol2073,O=C(Cc1cccnc1)Nc1ncccc1Cl,1.492886051 |
| Mol2074,CC(=O)N1CCN([C@H]2CCN(C(=O)c3cc4cc(C)ccc4o3)CC[C@@H]2O)CC1,2.18355738 |
| Mol2075,O=C(NCc1nc(-c2cnccn2)n[nH]1)C1Cc2ccccc2C1,1.278845022 |
| Mol2076,COc1cc2nn(CCC(C)(C)O)cc2cc1NC(=O)c1ccn(C(F)F)n1,1.027920136 |
| Mol2077,CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(C(F)F)n3)c(OCC3COC3)cc2n1,1.858140016 |
| Mol2078,CC(C)(O)CCn1cc2cc(NC(=O)c3ccn(C(F)F)n3)c(OCC3COC3)cc2n1,1.124927879 |
| Mol2079,CNC(=O)c1ccc(N2CCCc3cc(OC)ccc3C2)nn1,2.93425346 |
| Mol2080,C[C@H](c1nc(=O)c2cnn(C3CCOCC3)c2[nH]1)N1CC(Oc2ccccc2)C1,2.206599228 |
| Mol2081,CCN1CCN(C(=O)CNc2ncnc3onc(C)c23)CC1,1.027920136 |
| Mol2082,O=C(NN1CCOCC1)c1ccc(Cl)c(Cl)c1,1.027920136 |
| Mol2083,O=C(CCCC(=O)N1CCN(c2nsc3ccccc23)CC1)Nc1nccs1,2.709309826 |
| Mol2084,O=C1CCC(=O)N1CCSc1ncc(-c2ccc(F)cc2)[nH]1,2.855272561 |
| Mol2085,Cc1c(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1,1.874377435 |
| Mol2086,COc1ccc(CC2CN3CCN(C(=O)OCc4ccccc4)CC3CO2)cc1,2.935136799 |
| Mol2087,Cc1ncc(-c2ccc(C)c(S(=O)(=O)NCc3cnn(C)c3C)c2)o1,3.138216778 |
| Mol2088,Cc1noc(C)c1-c1cc(-c2ccccc2Cl)nc(C2CC2)n1,2.160243372 |
| Mol2089,CNCc1cc(N(C)C)nc(C2CCCN2C(=O)COC)n1,1.027920136 |
| Mol2090,CCCc1ccc(-c2cccc(C(=O)N3CCN(CC(N)=O)CC3)c2)cc1,2.849214197 |
| Mol2091,C[C@@]12CCCN1C(=O)[C@H](C1CCCCC1)NC2=O,1.317143662 |
| Mol2092,Cc1nc(C)c(CNc2ncnn2C)s1,1.352143912 |
| Mol2093,CC(=O)c1ccccc1-c1cccc(C(=O)NCCCN2CCCC2)c1,2.870664872 |
| Mol2094,CN1CCC(Cc2cccc(-c3nccs3)n2)C1,3.306892099 |
| Mol2095,COCCCNc1nnc(-c2ccncc2)s1,1.924542885 |
| Mol2096,O=c1cc2c(n[nH]1)-c1cnc(N3CCCCC3)nc1CC2,2.039826404 |
| Mol2097,CC(C)N(C)S(=O)(=O)N1CCC(CNC(=O)CCCn2cccn2)CC1,2.455434186 |
| Mol2098,Oc1ccc2nc(/C=C/c3csnn3)ccc2c1Cl,2.380290855 |
| Mol2099,CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1,2.078300908 |
| Mol2100,CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3cccc4ccccc34)cc12,3.310521897 |
| Mol2101,Cc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1,2.93863929 |
| Mol2102,O=C(NCCc1cnn[nH]1)C1Cc2ccccc2C1,1.027920136 |
| Mol2103,CC1CCC(O)(CSc2nncn2C(C)C)CC1,2.33018642 |
| Mol2104,C[C@]1(O)CN(C(=O)Cn2cnc3ccccc32)CC[C@@H]1Oc1ccccc1,2.256782669 |
| Mol2105,CN(C)c1ccncc1CN1CCN(c2ccc(C(N)=O)cc2)CC1,1.027920136 |
| Mol2106,COc1ccccc1/C=C/CN1C[C@H]2CCCN2C[C@@H]1C,3.161578509 |
| Mol2107,CSC1(CNC(=O)N2CCC=C(c3ccccc3)C2)CCOCC1,3.43872046 |
| Mol2108,O=C(CN1CCCC1=O)NCC1(CO)CCCC1,1.027920136 |
| Mol2109,CN(CCc1ccncc1)c1ncccc1C#N,2.741716366 |
| Mol2110,CCCc1noc(CN2CCN(c3ccccc3OC)CC2)n1,2.545714 |
| Mol2111,CCOCCNC(=O)c1cccc(-c2cc(F)ccc2OC)c1,2.913366617 |
| Mol2112,CCN(Cc1cnn(C(C)C)c1)C(=O)NCCC(C)(C)OC,2.211504986 |
| Mol2113,Cc1oc2ncnc(NCc3cc(F)cc4c3OCOC4)c2c1C,3.309033241 |
| Mol2114,CN(Cc1cnc2ccccc2n1)S(=O)(=O)N1CCCCCC1,3.760281616 |
| Mol2115,CCc1c(C)nn(CCNC(=O)CCc2cnccn2)c1C,2.811035153 |
| Mol2116,CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1,2.376343324 |
| Mol2117,CC1=C(Br)CN(CCc2nc3ccccc3c(=O)[nH]2)CC1,3.311621646 |
| Mol2118,CN1CCCn2c1cc(OCc1cc(F)c(Oc3ccc(C(F)(F)F)nc3)c(F)c1)nc2=O,2.100267129 |
| Mol2119,Cc1cc(C(=O)N2CCC(C(=O)c3ccnn3C)CC2)sc1C,2.981010403 |
| Mol2120,CCCOc1ccn2c(C(C)=O)cc(-c3ccccc3S(C)(=O)=O)c2c1,2.752265157 |
| Mol2121,CCN(CCOC)C(=O)Nc1ccc2occc(=O)c2c1,1.514640711 |
| Mol2122,COc1ccc(N)c(OCc2ccccc2)c1,2.849197603 |
| Mol2123,COc1ccc2nc3c(cc2c1)CNCCO3,1.9159114 |
| Mol2124,Cc1ccc(-n2nc(NCc3cnn(C)c3)cc2C)cc1,1.847541813 |
| Mol2125,C#Cc1cccc(N(CCC(=O)NC(N)=O)Cc2cccs2)c1,3.030717892 |
| Mol2126,CCCNC(=O)CSc1nc2cc(C)ccc2[nH]1,3.073910717 |
| Mol2127,CCCn1cnnc1CN(C)Cc1ccc(C(F)(F)F)nc1,1.469983926 |
| Mol2128,CC(C)CCn1ccc(NC2CCN(C(C)C)CC2)n1,2.181168765 |
| Mol2129,CC(=O)N(C)[C@H]1CC2(CCN(C(=O)COc3cc(C)c(Cl)c(C)c3)CC2)OC[C@]1(C)O,2.645137231 |
| Mol2130,Cc1cc(C)c2ccc(C(=O)N3CCN(c4nc[nH]n4)CC3)cc2n1,1.224714305 |
| Mol2131,CCCc1nn(CCCN2CCCCC2)c(=O)o1,3.203114514 |
| Mol2132,COCc1nn(CCCN2CCCCC2)c(=O)o1,2.568772974 |
| Mol2133,Cc1noc(C)c1CS(=O)(=O)C1CCCc2ccccc21,3.146576988 |
| Mol2134,Cc1nnc2ccc(NCCOC3CCCCCC3)nn12,2.954687674 |
| Mol2135,NCCOc1cccc(CC(=O)N2CCCN(C(=O)C3CCC3)CC2)c1,1.027920136 |
| Mol2136,C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cccc2ccccc12,3.280922392 |
| Mol2137,Cn1cccc(C(=O)NCc2nc(C(C)(C)C)no2)c1=O,2.13664448 |
| Mol2138,Cc1nnc2ccc(N3CCC4(CCCCC4)C3)nn12,2.778047731 |
| Mol2139,COC(=O)N[C@H](C)CNc1nccc(-c2cn(C(C)C)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1,1.822965298 |
| Mol2140,N#Cc1c(F)cccc1Oc1cccnc1,1.479056784 |
| Mol2141,CCn1cnnc1CN(C)C1CCN(c2ccccc2F)CC1,2.531992103 |
| Mol2142,CSc1ccc(C(=O)Nc2cccc(C(=O)NCC(C)C)c2)cc1,3.42412161 |
| Mol2143,COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OC,3.76762999 |
| Mol2144,Nc1ncnc2ccc(-c3ccnc(F)c3)nc12,1.027920136 |
| Mol2145,Cc1ccc(C(=O)NCCc2ccc(F)cc2)o1,2.146078399 |
| Mol2146,CCCc1ccc(C(=O)CSc2nncs2)cc1,3.099159728 |
| Mol2147,O=C(O)c1cnn(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)c1,1.027920136 |
| Mol2148,Cc1ncc(C)n2nc([C@@H]3C[C@H]3c3nc4c5cccnc5ccn4c3C)nc12,1.914433075 |
| Mol2149,O=C(c1cccc(Nc2ncccn2)c1)N1CCOCC(Cc2cccc3ccncc23)C1,3.217539478 |
| Mol2150,Cc1cccc(NC(=O)N2CCC(N3CC=CC3)CC2)c1Cl,3.018893476 |
| Mol2151,CC(C)(C(=O)c1ccccc1)/[N+]([O-])=C/c1ccc(F)cc1,1.788111782 |
| Mol2152,COCC1(C(=O)N(C)Cc2ccc3ccccc3n2)CCC1,3.620792936 |
| Mol2153,O=C(CC1c2ccccc2CCc2ccccc21)NCCN1CCOCC1,3.305804777 |
| Mol2154,COc1ccccc1-n1cc(CNC(=O)N(C)Cc2c(C)nn(C)c2C)cn1,2.708621428 |
| Mol2155,Cc1cc(C(=O)N(C)C2CCSCC2)c(=O)n(C)c1C,1.751132774 |
| Mol2156,CC(C)c1nccn1Cc1nc2ccccc2[nH]1,2.377286212 |
| Mol2157,O=C(Nc1ccc(Cl)nc1)NC1CCN(C2CCCC2)CC1,1.027920136 |
| Mol2158,Cc1cc2nc(Sc3nnc(C)n3C)c3ccccc3n2n1,1.543732888 |
| Mol2159,CCCS(=O)(=O)NC1CCN(Cc2ccc(C)c(OC)c2)CC1,2.901865724 |
| Mol2160,C[C@@H](NC(=O)N1CCC2(CCN(C)CC2)C1)c1ccc(F)cc1,1.027920136 |
| Mol2161,CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O,1.482530584 |
| Mol2162,CCc1cc(N2CCOCC2)nc(C2CCN(C(=O)C3CC3)CC2)n1,2.44365094 |
| Mol2163,CC(C)Nc1ccc(-c2cc3c(cc2CO)OCCO3)cn1,3.757414175 |
| Mol2164,O[C@H]1CC[C@H](Nc2ncc3nc(Nc4c(F)cc(F)cc4F)n([C@H]4CCOC4)c3n2)CC1,1.037346804 |
| Mol2165,Cc1ccc(NC(=O)OCC(F)(F)F)cn1,1.547122159 |
| Mol2166,COc1ncccc1C(=O)Nc1nc(C)nn1C,1.027920136 |
| Mol2167,O=C(Cc1n[nH]c2ccccc12)N1CCCO1,1.499934395 |
| Mol2168,Cc1ccc(C)c2nc3c(cc12)CNCCO3,2.369666622 |
| Mol2169,CN(CCSc1ccc2nnc(C(F)F)n2n1)Cc1ccccc1,3.502383279 |
| Mol2170,CCOC(=O)c1ccc(N2CCSCC2)nc1,3.474911453 |
| Mol2171,N#Cc1ccccc1NC(=O)CCc1ccccc1,2.658640906 |
| Mol2172,COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)N(C)C)c4)cc23)c1,3.159346381 |
| Mol2173,CN1CCc2ccc(C(=O)NCCC(=O)Nc3cccnc3)cc21,1.937758543 |
| Mol2174,CCCc1cc(C(=O)Nc2ccc(-c3nnc(C)[nH]3)cc2)no1,2.462724345 |
| Mol2175,CC(C)N1CCN(CCCSc2ccccn2)CC1,3.034584343 |
| Mol2176,CS(=O)(=O)NC1CCCN(c2nc3ccccc3o2)C1,1.626165793 |
| Mol2177,Cc1cc(C)c(NC(=O)CN(C)c2ccc(C#N)nc2)c(C)c1,1.878946691 |
| Mol2178,Cc1nc(-c2ccccc2)nc(O)c1C,1.735087664 |
| Mol2179,O=C(CSCCc1ccccn1)Nc1ccccc1,3.427032427 |
| Mol2180,O=C(NCC1CCC2(CC1)OCCO2)c1[nH]nc2c1CCCC2,3.104764944 |
| Mol2181,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO,1.798878435 |
| Mol2182,COc1cc(OC)cc(C(=O)NCc2noc(-c3ccccc3)n2)c1,2.797784646 |
| Mol2183,CC(C)N(C)S(=O)(=O)NCCCc1nc2cc(Cl)ccc2[nH]1,3.398339897 |
| Mol2184,CN(Cc1ccc(OC(F)(F)F)cc1)Cc1cn(C)nn1,2.462612097 |
| Mol2185,Cc1noc(NCc2ccc(F)cc2C)n1,1.834395268 |
| Mol2186,COc1ccc(CC(=O)Nc2ccc(F)nc2)cc1,1.883434294 |
| Mol2187,CC(=O)NC1CCC(NCCSc2ccc(C)cc2)CC1,2.698079657 |
| Mol2188,CCOc1cc(N2CCOC3(CCCC3)C2)ncn1,2.800129146 |
| Mol2189,CN(CCn1cnc(C#N)c1C#N)c1ccccc1,3.024705633 |
| Mol2190,O=C(c1ccccc1N1CCOCC1)N(Cc1ccccn1)C1CCCCC1,3.584255442 |
| Mol2191,COc1cccc(Cc2cnc(N)s2)c1,2.449390451 |
| Mol2192,Clc1cnc(NCC2(CN3CCCC3)CC2)nc1,2.128648012 |
| Mol2193,COc1cc(OC)c(OC)cc1CNC(C)(C)C,2.042862847 |
| Mol2194,CC(=O)Nc1ccccc1OCCOc1ccc(Cl)cc1,2.822593009 |
| Mol2195,Cc1ccsc1-c1nsc(NC(=O)CN(C)C)n1,2.738890703 |
| Mol2196,Fc1c(CN2CCC(c3nnc4ccccn34)CC2)cccc1OC1CC1,2.077785645 |
| Mol2197,CC1CCN(C(=O)CCn2ccc3ccncc32)CC1,3.293048379 |
| Mol2198,Cc1cc(NC(=O)CN(C)CCOc2ccccc2)on1,2.793825993 |
| Mol2199,Cc1nc(NCCN2C(=O)CCC2=O)c2c(C)csc2n1,2.197906043 |
| Mol2200,O=C(NC[C@]1(O)CCN(Cc2ccsc2)C[C@H]1O)c1c[nH]cn1,1.027920136 |
| Mol2201,O=C(Nc1ccccc1)Nc1ccc(-c2ccc(C(=O)[C@H]3CCC[C@@H]3C(=O)O)cc2)cc1,1.375736752 |
| Mol2202,Cc1cc(Br)cn(Cc2ccc(C#N)cc2F)c1=O,2.009990242 |
| Mol2203,CC1CCC(CNC2(CCO)CCOCC2)CC1,3.078732968 |
| Mol2204,COCCN(C)C(=O)c1ccc(-c2cccc(-c3noc(C)n3)c2)cc1,1.87602144 |
| Mol2205,Cc1[nH]nc(CCC(=O)NCCCOC2CCCCC2)c1C,3.639721403 |
| Mol2206,COc1cccc(CC(=O)N2CCOC(c3cc(Nc4nnc(C)s4)cc(C)n3)C2)c1,2.488580326 |
| Mol2207,Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)CCn3ncc4ccccc43)C2)n1,3.36208683 |
| Mol2208,Cc1cc(Br)ccc1CN(C)C(=O)CO,1.455819024 |
| Mol2209,CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O,2.165499544 |
| Mol2210,CNCc1cc(N(C)C)nc(C2CCCN2C(=O)c2oc3ccc(Cl)cc3c2C)n1,2.924283422 |
| Mol2211,CNCc1cc(N(C)C)nc(C2CCCN2C(=O)C2CN(Cc3ccc(Cl)cc3)C2)n1,1.452920564 |
| Mol2212,CNCc1cc(NC)nc(C2CCCN2C(=O)C(C)(C)c2ccc(C)cc2)n1,2.184384762 |
| Mol2213,Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@@H]3CC(=O)O)c1,1.451479405 |
| Mol2214,Cc1cc(Cl)n(-c2ccc(C#N)cc2)n1,2.491841954 |
| Mol2215,Cc1ccccc1NC(=O)Cn1nnc(C2CC2)n1,1.710726474 |
| Mol2216,Fc1cc(-c2ccncc2)ccc1CNc1ncccn1,2.377051137 |
| Mol2217,Cc1ccc(-n2cc(C)cn2)c(NC(=O)CN(C)C)c1,2.639512387 |
| Mol2218,c1ccc(OCCN2CCN(c3ncccn3)CC2)cc1,2.712684208 |
| Mol2219,CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC(=O)NS(=O)(=O)c3ccccc3)cc1)C2,1.237895455 |
| Mol2220,CC(=O)N[C@H]1CC2(CCN(C(=O)COc3cc(C)c(Cl)c(C)c3)CC2)OC[C@]1(C)O,2.219951086 |
| Mol2221,O=C(/C=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1ccccn1,1.719480446 |
| Mol2222,Cc1cccc2ncn(CCc3ncc[nH]3)c(=O)c12,3.350864511 |
| Mol2223,CCNc1ccnc(-c2cccc(C(=O)NCCCc3cnn(C)c3)c2)n1,2.80180283 |
| Mol2224,CC(=O)c1ccc2c(c1)CCN(CCC1OCCO1)CC2,1.750060756 |
| Mol2225,COC1(c2nc(Cc3ccccc3)no2)CCN(Cc2cnc(C)o2)CC1,2.454536935 |
| Mol2226,CS(=O)(=O)Nc1ccccc1-c1ccncc1,2.000230115 |
| Mol2227,CN(Cc1ccc(N)nc1)c1nc2cc(F)ccc2o1,1.764101376 |
| Mol2228,c1ccc(-c2noc(Cn3ccnc3)n2)nc1,1.027920136 |
| Mol2229,O=C(Nc1nccs1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1,2.697221494 |
| Mol2230,O=C(c1ccc(O)cc1)N1CCN(c2ncnc3c2CCC3)CC1,2.251536021 |
| Mol2231,Cc1cccc(C)c1OCC(=O)N(C)[C@@H]1CCC[C@@H](O)[C@@H]1O,2.189970103 |
| Mol2232,COc1cc2cc3c(nc2cc1OC)OCCN(C1CCCCC1)C3,3.224549636 |
| Mol2233,Cc1ccccc1S(=O)(=O)Nc1c(C)ccnc1Cl,2.288787846 |
| Mol2234,Cc1nn(C)c(C)c1-c1cc(C(C)(C)C)nc(N2CCN(C)CC2)n1,3.664309735 |
| Mol2235,Cc1nc(Cc2ccccc2)sc1C(=O)Nc1cccc(-c2ccn[nH]2)c1,2.608807271 |
| Mol2236,COCCOc1cnc2ccn([C@H](C)c3nnc4c(F)cc(-c5cnn(C)c5)cn34)c(=O)c2c1,1.399414105 |
| Mol2237,CNc1ncnc2c1ncn2[C@H]1CC[C@H](NC(=O)CCCNC(=O)OC(C)(C)C)[C@H](O)[C@H]1O,1.298547435 |
| Mol2238,Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCC1CCN(C(=O)C2CC2)CC1,2.648008529 |
| Mol2239,O=S(=O)(c1cccnc1)N1CCC2(Cc3ccccc3C2)C1,3.705029888 |
| Mol2240,CN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2,2.184980864 |
| Mol2241,CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C(C)(C)C1,2.820328904 |
| Mol2242,COc1ccccc1/C=C/CN1CCCC2(C1)OCCO2,3.337657494 |
| Mol2243,c1cc(CNc2ncc(-c3cnccn3)c(C3CC3)n2)ccn1,3.117910332 |
| Mol2244,CC(C)N(C[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)[C@H]1C[C@@H](CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1,2.921467453 |
| Mol2245,O=C(NC1CCCC1)C1=CCN(C(=O)C2CC2)C1,1.571522499 |
| Mol2246,O=C(CNc1cc(N2CCCC2=O)ccc1F)N1CCCCCC1,2.594275397 |
| Mol2247,Cc1cnccc1-c1cnc(N(C)C)nc1-c1ccco1,3.352055299 |
| Mol2248,Cn1cnc2ncn(Cc3nc(CCc4ccc(Cl)cc4)no3)c(=O)c21,2.330436096 |
| Mol2249,CCCCN1CCc2nc3cc(C4CC4)nn3c(O)c2C1,1.027920136 |
| Mol2250,CN(C)C(=O)c1ccnc(NCc2cccc(C#N)c2)c1,1.839006415 |
| Mol2251,Cc1cnc(NCC2(CO)CCCC2)nc1N(C)C,3.020552695 |
| Mol2252,c1cnc(NCc2cccc(-c3cccnc3)c2)nc1,2.169342269 |
| Mol2253,Cc1cc(C(=O)NCC2CCC3(CC2)OCCO3)[nH]n1,1.996362796 |
| Mol2254,Cn1cc(CN2CCCC(c3ccnc(Nc4cnccn4)c3)C2)cn1,2.253381626 |
| Mol2255,COCc1ccc(SCC(=O)NC2CCCC2)cc1,3.406091177 |
| Mol2256,Cc1ccc2nc(CN(C)Cc3cccc(Cl)c3Cl)cc(=O)n2c1,3.678935993 |
| Mol2257,O=c1c2cccnc2ncn1[C@H]1CCN(Cc2ccccc2)C1,2.208779845 |
| Mol2258,CCc1c(O)cc(O)c(C(=O)c2ccc(OCCN3CCOCC3)c(OC)c2)c1CC(=O)N(CCOC)CCOC,2.320447486 |
| Mol2259,OC1CCN(c2nccc(-c3cccs3)n2)CC1,2.817179158 |
| Mol2260,Cc1c[nH]c(C(=O)NCC2(N3CCCCC3)CCCC2)n1,2.281137949 |
| Mol2261,CC(=O)NCc1cc2n(n1)CCN(C1Cc3ccccc3C1)C2,1.027920136 |
| Mol2262,Cc1nc2ncc3c(n2n1)CC(C)(C)CC3=O,1.027920136 |
| Mol2263,CCc1cc(-c2ccc(OC)c3nc(C)ccc23)nc(N2CCOCC2)n1,2.021474599 |
| Mol2264,Cc1nc(N2CCNCC2)c2cnn(C)c2n1,1.177853809 |
| Mol2265,Cc1ccc(OCN2CCCCC2=O)nc1,1.027920136 |
| Mol2266,CC1CCC(N(Cc2nnc(C3CCC3)o2)C2CCC(O)CC2)CC1,3.208045043 |
| Mol2267,CCN1CCCN(C(=O)Nc2ccc(COC3CCCC3)cc2)CC1,2.457959064 |
| Mol2268,COc1cc(C)cc(OC)c1-c1ccc(-c2nn[nH]n2)cc1,1.919904036 |
| Mol2269,Cc1cccc(OC[C@@]2(O)CN(C[C@]3(O)CC[C@@H](C(C)(C)C)CC3)CC[C@@H]2O)c1,3.253741576 |
| Mol2270,COC(=O)N1CC(NCc2c(C)nn(C(C)(C)C)c2C)C1,1.78651008 |
| Mol2271,CC(C)n1cc(CN2CCC(c3nc(N(C)C)no3)CC2)cn1,2.253820018 |
| Mol2272,Cc1n[nH]c(C)c1CCCN(C)c1cncc(C(=O)N(C)C)n1,2.723184667 |
| Mol2273,Cc1cnc(N2CCSCC2)nc1N1CCSCC1,3.421202842 |
| Mol2274,Cc1ncccc1CNc1ccc(CC#N)cc1,2.561029791 |
| Mol2275,Cc1nc(CN2CCC(CNC(=O)COc3ccccc3Cl)CC2)c[nH]1,1.764101376 |
| Mol2276,CC(C)CCN1CCC(CNS(C)(=O)=O)CC1,1.027920136 |
| Mol2277,CC(=O)c1cc(Br)cc(F)c1OCc1ccccn1,2.499662344 |
| Mol2278,O=c1oc2cccnc2n1Cc1ncc(-c2ccc(F)cc2)o1,1.027920136 |
| Mol2279,CC(COc1ccccc1Cc1ccccc1)N1CCCCC1,3.459669714 |
| Mol2280,CN(CC1(CO)CCCC1)C(=O)CCN1CCCCC1=O,2.051198845 |
| Mol2281,CN(C)c1ccc(-c2ccc(C(=O)NCCN3CCCC3=O)cc2)nn1,1.875206004 |
| Mol2282,Cc1nn(CCNS(=O)(=O)N2CCCCC2)c(C)c1C,3.505661873 |
| Mol2283,CN1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1,2.947691967 |
| Mol2284,Cc1ncn(Cc2noc(-c3ccccc3O)n2)c1C,2.683729479 |
| Mol2285,c1cncc(-c2nnc3n2[C@H]2CN(Cc4cccs4)C[C@H]2CC3)c1,2.535470081 |
| Mol2286,O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCc3ccccc3C2)C1,3.40330999 |
| Mol2287,COc1cc(CN2CCC(C(=O)N3CCOCC3)CC2)ccc1C,2.358239508 |
| Mol2288,COc1ccc(NC(C)=O)cc1NC(=O)CN(Cc1ccccc1)C(C)C,3.622840034 |
| Mol2289,C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC#N,2.268123784 |
| Mol2290,CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3,2.475316636 |
| Mol2291,COc1cccc(O[C@H]2CCN(C(=O)c3cc(-c4ccc(F)cc4)on3)CC[C@@H]2O)c1,2.761214951 |
| Mol2292,COc1cccc(C(=O)N(C)CC(F)(F)F)c1OCCCN,1.914142097 |
| Mol2293,Cc1csc(Cc2nc(-c3ccc(O)cc3)no2)n1,2.458749618 |
| Mol2294,COc1ccc(C)cc1S(=O)(=O)NCCC(=O)Nc1ccccc1C,3.333076707 |
| Mol2295,CN(C)c1cncc(-c2ccc(C(=O)NC(C)(C)C)cc2)n1,2.683949828 |
| Mol2296,COC(C)(C)CCNC(=O)CC1CC(C)(C)NC(C)(C)C1,1.613471827 |
| Mol2297,CCOc1ccc2[nH]c(C(=O)N3CC[C@@](O)(CC(C)C)[C@@H](Oc4ccc(F)cc4)C3)c(C)c2c1,2.974696793 |
| Mol2298,O=C(Nc1cn(CCOCC(F)(F)F)nc1-c1ccccn1)c1coc(-c2cn[nH]c2)n1,2.714584561 |
| Mol2299,CC(=O)c1ccc2c(c1)CCN(CC1CCC3(CC1)OCCO3)CC2,2.359412361 |
| Mol2300,C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1,1.831594655 |
| Mol2301,Cc1cn2cc(C(=O)N(C)CCO)cc(N[C@@H]3CCOc4cccc(C)c43)c2n1,2.459891338 |
| Mol2302,CCN(Cc1nc(C)no1)C(=O)c1cc(C)c(C)n(C)c1=O,1.027920136 |
| Mol2303,Cc1cc(C(=O)N2CCN(C(=O)C3CCC3)CC2)c(O)cn1,1.027920136 |
| Mol2304,COCC(=O)Nc1ccc(C)c(NC(=O)[C@H](OC)c2ccccc2)c1,1.652720034 |
| Mol2305,Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,2.034720679 |
| Mol2306,COCC1(CNC(=O)c2ccc(-n3cccn3)cc2)CCC1,2.691908606 |
| Mol2307,O=c1n(CCn2ccnc2)nnn1-c1cccs1,1.745168514 |
| Mol2308,CN(C)C(=O)C(C)(C)NC(=O)OC(C)(C)C,1.385945713 |
| Mol2309,OCCOc1ccccc1OCc1ncc(Cl)cc1Cl,2.503203512 |
| Mol2310,Cn1c(=O)c(C(=O)CSc2nc3ccccc3n2C)c(N)n(Cc2ccccc2)c1=O,3.380791722 |
| Mol2311,CCC(=O)Nc1ccc(F)c(NC(=O)N2CC=C(C)CC2)c1,1.836083478 |
| Mol2312,O=C(c1n[nH]c2c1COCC2)N1CCC2(C=Cc3ccccc32)CC1,2.939548704 |
| Mol2313,Cc1cc(C#N)cc(N2CCc3c(ncn3CCc3ccccc3)C2)n1,3.53502295 |
| Mol2314,CCCC(=O)Nc1ccc(C(=O)N(C)C)cc1,1.704605172 |
| Mol2315,Cc1cc(Cn2cnc(C#N)c2C#N)c2ccccc2n1,1.564476685 |
| Mol2316,CCCc1cc(CNC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)on1,1.95595219 |
| Mol2317,CSC1(CNc2cc(C)nc(C)n2)CCOCC1,1.881664204 |
| Mol2318,CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC,1.027920136 |
| Mol2319,Cc1ncc(CCN2C(=O)NC3(CCCC3)C2=O)s1,1.803218051 |
| Mol2320,CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1c1ccn(C)n1,2.615611317 |
| Mol2321,CCCn1cc(CN2CCC(c3nc(N(C)C)no3)CC2)cn1,2.163831985 |
| Mol2322,O=C(Nc1nnc(SCc2ccc(F)cc2)s1)C1CCC1,3.217774167 |
| Mol2323,COCCNc1c(C)c(C)nc2cc(-c3nccn3C)nn12,1.901093077 |
| Mol2324,N#Cc1ccnc(Nc2ccc(F)cc2)c1,2.267950412 |
| Mol2325,COc1cccc(OC)c1-c1ccc(OCCN2CCCC2)cc1,3.360202297 |
| Mol2326,O=c1c2sccc2nc2n1CCN(Cc1ccc(F)cc1F)CC2,3.163096047 |
| Mol2327,N#CCn1ncnc1-c1cccc(C#N)c1,1.705709801 |
| Mol2328,CN1CCC(N(Cc2cccnc2)C(=O)NCCCc2ccccc2)CC1,3.058604413 |
| Mol2329,Cc1nn(CCNS(=O)(=O)N2CCOCC2)c(C)c1C,2.422458514 |
| Mol2330,Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)OC1CCCCC1,2.812344392 |
| Mol2331,CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC,1.027920136 |
| Mol2332,CC(C)(C)C(=O)N1CCC(CN(CC(N)=O)C2CCCC2)CC1,3.148166599 |
| Mol2333,C[C@@H](c1ccccc1)N(C)C(=O)NCCN(C)CCO,3.058071307 |
| Mol2334,Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(C(=O)N2CCCC2)cc1,3.788869608 |
| Mol2335,O=C(c1ccc(NS(=O)(=O)c2cccc3cnccc23)cc1)N1CCCC1,2.749437925 |
| Mol2336,CS(=O)(=O)NCCN1CCc2c(Cl)cc(Cl)cc2C1,2.601777608 |
| Mol2337,O=C1c2ccccc2C(=O)N1CCNc1ccc(F)cc1,2.789224529 |
| Mol2338,CCc1nc(C)cc(N2CCCC3(CCNCC3)CC2)n1,1.027920136 |
| Mol2339,O=C1CCCN1CCCc1nc(Cc2c(Cl)cccc2Cl)n[nH]1,2.581408016 |
| Mol2340,Cc1cc(C(=O)N(C)c2nc3ccccc3s2)cc(O)n1,1.207311151 |
| Mol2341,CC(=O)N1CCN(C(=O)CS(=O)(=O)C23CC4CC(CC(C4)C2)C3)CC1,2.47457754 |
| Mol2342,CCc1nnc(N2CC(N(C)C)C2)c(C#N)c1CC,2.113451988 |
| Mol2343,CCc1nnc(Nc2cc(C)nc(C3CN(C(=O)C(C)C)CCO3)c2)s1,2.117218249 |
| Mol2344,O=C(Nc1ccncc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1,2.85820082 |
| Mol2345,O=C(CC[C@@H]1CCCN2CCCC[C@H]12)NCc1cnc2c(c1)CCC2,2.456939652 |
| Mol2346,Cc1nc(NCc2ccc(F)cc2)n(C)n1,1.027920136 |
| Mol2347,Cc1cc(C(=O)Nc2nnc3n2CCCC3)n(C)n1,1.056752441 |
| Mol2348,Cc1csc2nc3n(c(=O)c12)CCNCC3,2.357198971 |
| Mol2349,Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Cl)n[nH]1,1.6658623 |
| Mol2350,COCC(=O)Nc1ccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1,1.94899457 |
| Mol2351,Cc1ccc(O)c(CN2CCC(c3nc4ccccc4o3)CC2)n1,2.360602879 |
| Mol2352,Cc1cnc(C(C)(C)NCC(=O)N(C)C)s1,1.320644711 |
| Mol2353,Cc1nccc(NC(=O)CCc2ccncc2)c1Cl,1.863816367 |
| Mol2354,Cc1cccc(-c2cccc(C(=O)NCCC3(O)CCCC3)c2)n1,3.46334627 |
| Mol2355,Cc1ccc(S(=O)(=O)N2CCOc3ccncc32)cc1,3.320042791 |
| Mol2356,COc1ccc(-c2nc(NC(C)C)ncc2-c2ncc[nH]2)cc1,3.063681556 |
| Mol2357,N#Cc1cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)ccc1F,3.224952911 |
| Mol2358,CN(CCN1CCCCC1)c1cncc(C(N)=O)n1,1.978723616 |
| Mol2359,CCOc1cccc(NS(C)(=O)=O)n1,1.027920136 |
| Mol2360,CN1CCc2nc(C(=O)N[C@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1,1.027920136 |
| Mol2361,CCCc1cc(C)nc(O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C(C)C,2.370840491 |
| Mol2362,CCOc1ccnc(NCCCc2nc3cc(F)ccc3[nH]2)n1,3.515722344 |
| Mol2363,CCCc1ncncc1C(=O)NCc1nncn1CCC,1.588350153 |
| Mol2364,CCc1cc(-c2ccc(OC)c3ncccc23)nc(N2CCOCC2)n1,1.979156696 |
| Mol2365,C[C@H]1CC[C@H](n2c3cnccc3c3cnc(Nc4ccc5c(n4)CCN(C(=O)CO)C5)nc32)CC1,2.542907549 |
| Mol2366,COc1cn(-c2ccc(-n3cccn3)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O,1.450787792 |
| Mol2367,Cc1nn(C(F)F)c(C)c1CC(=O)NCCNC(C)(C)C,2.403123954 |
| Mol2368,CN(CC1(CO)CCC1)C(=O)CCN1CCCCC1=O,1.662889988 |
| Mol2369,Cc1cc(C)cc(OCCN(C)C(=O)NCCS(=O)(=O)N(C)C)c1,3.039175688 |
| Mol2370,CC(C)CN(Cc1cnn(C)c1)C(=O)c1cccc(-c2cnccn2)c1,3.676246468 |
| Mol2371,O=c1c2c(C(F)(F)F)cccc2ncn1CCc1ncc[nH]1,2.409195718 |
| Mol2372,CCCCN1CCN(C(=O)c2cccc(-c3ccc(CO)cc3)c2)CC1,2.430244417 |
| Mol2373,O=C(Nc1cnc2ccccc2n1)c1ccncc1,2.103451355 |
| Mol2374,COc1ccc(CN2CCN(C(=O)C3CCN(C(=O)C4CC4)CC3)CC2)cc1,1.702611455 |
| Mol2375,COc1cc2nc(CN3CCC(CO)CC3)[nH]c(=O)c2cc1OC,1.027920136 |
| Mol2376,COCc1noc(CNC(=O)N(C)[C@@H](C)c2ccccc2)n1,1.802855789 |
| Mol2377,CC(C)=CCOc1cccc(C(=O)NN2CCOCC2)c1,2.770149948 |
| Mol2378,Cc1n[nH]c2c1[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2,2.741363571 |
| Mol2379,CC#CCCNC(=O)c1cccnc1C,1.333245699 |
| Mol2380,O=C(Nc1cncc2ccccc12)c1ncccn1,1.155578931 |
| Mol2381,Cn1nc(-c2cc(F)cc(F)c2)cc1N,1.687858793 |
| Mol2382,O=C(O)c1ccc(CCC(=O)N2CCc3c(F)cc(F)cc3C2)cc1,1.027920136 |
| Mol2383,Cc1ccc(CNc2ncnn2C)nc1,1.027920136 |
| Mol2384,CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1,2.392375069 |
| Mol2385,COc1ncc(C(=O)NCc2cnn3cccnc23)cn1,1.027920136 |
| Mol2386,CCn1nc(CNC(=O)C2CCOCC2)c2ccccc21,2.051025111 |
| Mol2387,CN(C)CC(C)(C)CNc1cn[nH]c(=O)c1Br,1.642889703 |
| Mol2388,Cc1ccc(Oc2ccc(N)cc2)nn1,1.027920136 |
| Mol2389,COCCN1CCOc2nc3c(C)cccc3cc2C1,2.945691092 |
| Mol2390,C=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12,1.027920136 |
| Mol2391,O=C(Cn1nc(Cc2ccccc2)c2ccccc2c1=O)NCc1ncc[nH]1,3.522116889 |
| Mol2392,O=C(O)c1ccccc1COc1cccc2cccnc12,1.093211492 |
| Mol2393,O=C(Cn1nc(Cc2ccccc2)c2ccccc2c1=O)NCCc1c[nH]cn1,2.776049981 |
| Mol2394,Cc1cc(CNC(=O)N(C)Cc2c(C)nn(C)c2C)cnc1C,2.049679216 |
| Mol2395,CCc1ccc(CC)c(C(=O)CSc2nncs2)c1,3.189669385 |
| Mol2396,OCc1cnnn1-c1cncc(Cl)n1,1.027920136 |
| Mol2397,CCNc1nc(-c2cccnc2)nc(C)c1C,1.843768306 |
| Mol2398,C#CCNC(=O)Cc1coc(-c2ccccc2)n1,2.150805545 |
| Mol2399,Cn1cnnc1NC(=O)c1cnn2c1CCCC2,1.027920136 |
| Mol2400,N#Cc1ccc(C(=O)N2CCCO2)nc1,3.007036027 |
| Mol2401,CN(C)C1(CNC(=O)Cn2ccc(=O)cc2)CCCCC1,1.207957343 |
| Mol2402,O=C(OCC1CCSCC1)c1cccc(-n2cccn2)n1,3.342119161 |
| Mol2403,CCOc1cc(CN2CCc3c(N)nc(N4CCCC4)nc3C2)ccc1OC,2.447449531 |
| Mol2404,O=C(Nc1ccc(N2CCCC2)cn1)c1ccc(-c2cnco2)cc1,2.277641298 |
| Mol2405,CC(=O)N(C)[C@@H]1CO[C@@H]2CCN(C[C@]3(O)CC[C@@H](C(C)(C)C)CC3)C[C@@H]2C[C@@]1(C)O,2.441376169 |
| Mol2406,COCCc1nsc(Oc2ccc(C)cc2Br)n1,3.662283814 |
| Mol2407,CCc1c(-c2ccccc2)[n+]([O-])c2c([n+]1[O-])CCCCC2,1.637209449 |
| Mol2408,Cn1cc(NC(=O)c2cnn3cccnc23)c(C2CCCCC2)n1,2.274889527 |
| Mol2409,Cn1c(SCOCc2ccccc2)nnc1C1CC1,2.433529826 |
| Mol2410,COc1cc(-c2ccc(Cn3nc(C)cc3C)cn2)cc(OC)c1OC,2.537741041 |
| Mol2411,Cc1cc(N2CCN(CC3CCN(C(=O)CC(C)C)CC3)CC2)n[nH]1,1.027920136 |
| Mol2412,Cc1ccc(=O)n(CC2(O)CCN(Cc3cccs3)CC2)n1,2.207200664 |
| Mol2413,C=CCNc1ncc(-c2cnccn2)c(C2CC2)n1,2.865584809 |
| Mol2414,COCCNC(=O)c1nnc2n(c1=O)CCN2c1ccccc1,1.027920136 |
| Mol2415,CCC(C)(C)N1CCN(C(=O)NCCc2cc(C)no2)CC1,2.437779092 |
| Mol2416,CCCC1(CNC(=O)Cn2ccc(=O)cc2)CCC1,1.164174342 |
| Mol2417,Cc1cc(C(F)(F)F)nc(CCNC(=O)N(C)Cc2ccncc2C)n1,2.865972879 |
| Mol2418,CN1CCC(CNC(=O)c2ncoc2-c2ccc(F)cc2)CC1,1.699941736 |
| Mol2419,COc1ccc2cc(C(=O)NCc3nnc4n3CCCCC4)ccc2c1,2.815961405 |
| Mol2420,Cc1cccc(NC(=O)CSc2nncs2)c1,2.443677521 |
| Mol2421,CCOc1ccc(OCCN2CCN(C(C)=O)CC2)cc1,1.242093984 |
| Mol2422,COC1(c2nc(Cc3ccccc3)no2)CCN(Cc2ncccc2Cl)CC1,3.2507417 |
| Mol2423,CN(CCO)C(=O)c1ccc(-c2cccc(C(F)(F)F)n2)cc1,1.734551819 |
| Mol2424,COc1ccc(OC)c(Cn2cnc3cn(C)nc3c2=O)c1,1.7059321 |
| Mol2425,Cc1cc(C(=O)N(C)CC2CCN(CCO)CC2)cc(C)n1,1.465739659 |
| Mol2426,Cc1ccc(NC(=O)CN2C(=O)CN(C)C2=O)cc1C,1.798906038 |
| Mol2427,CCn1nc(CNC(=O)c2nc(C)c[nH]2)c2ccccc21,2.372549326 |
| Mol2428,O=c1cc(-c2cc(F)c(Cl)nc2Cl)[nH]c2c(-c3ccccc3)c(C(F)(F)F)nn12,1.286950216 |
| Mol2429,CCOc1ccc(CNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1,3.322280298 |
| Mol2430,Cc1nccc(N(C)Cc2ccc(N)nc2)n1,1.027920136 |
| Mol2431,COCCN(C)c1ccc(CN2CCOC3(CCCC3)C2)cn1,2.801295294 |
| Mol2432,CC(=O)N1CCC(CNc2nccc3cccnc23)CC1,1.907266213 |
| Mol2433,Cc1c(C(=O)Nc2ccc(CO)cc2)nnn1Cc1ccc(Cl)c(Cl)c1,1.706068842 |
| Mol2434,O=C(C1CC1)N1CCC(CNS(=O)(=O)N2CCCCCC2)CC1,3.121809582 |
| Mol2435,CN(Cc1ccc(CO)cc1)Cc1cc(F)c(F)c(F)c1,2.569665293 |
| Mol2436,CN(C)c1cncc(-c2ccc(S(=O)(=O)N(C)C)cc2)n1,3.385993749 |
| Mol2437,COc1ccc(=O)n(Cc2noc3c2CCCC3)n1,2.431087014 |
| Mol2438,CCc1cc(=O)[nH]c(SCCCCC2CCOCC2)n1,2.457488281 |
| Mol2439,O=C(Nc1nnc2n1CCCC2)c1cscn1,1.027920136 |
| Mol2440,Cc1nsc(Nc2ccccc2)c1C#N,2.893243406 |
| Mol2441,COCC(C)(C)C(=O)N1CCCC2(CCNCC2)CC1,1.027920136 |
| Mol2442,Cc1ccccc1CCNC(=O)N(Cc1cccnc1)C1CCN(C)CC1,2.911303592 |
| Mol2443,CCc1nnc(Sc2nc3cc(C)nn3c3ccccc23)[nH]1,2.142401982 |
| Mol2444,COCC(=O)Nc1ccc(NC(=O)Cc2cc(C)ccc2C)cc1,1.884115362 |
| Mol2445,CC(C)N(C(=O)Cn1cccc2cc(-c3ccco3)nc1-2)C(C)C,3.251663037 |
| Mol2446,Cc1cccc(NC(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c1C,2.756593513 |
| Mol2447,Cc1ccc(=O)n(CCOc2ccc(Cl)c(F)c2)n1,2.799987373 |
| Mol2448,Cc1nc(C)c(C(=O)Nc2cccc(-c3ccn[nH]3)c2)s1,1.704476544 |
| Mol2449,Cc1ncccc1NC(=O)OC(C)(C)C,1.32417953 |
| Mol2450,c1ccc(-c2ncc(CNc3ncccn3)s2)nc1,3.316108584 |
| Mol2451,c1ccc(Nc2nc(N3CCNCC3)nc(N3CCOCC3)n2)cc1,1.755951041 |
| Mol2452,NC(=O)c1csc(CN2CCc3cc(F)ccc3C2)c1,2.400698554 |
| Mol2453,COC(=O)C1=NOC2(CCN(CCCCCF)CC2)C1,2.853308145 |
| Mol2454,CCCc1cc(CNS(=O)(=O)c2cc(-c3cnc(C)o3)ccc2C)on1,3.397385147 |
| Mol2455,CN(Cc1nncn1C)C1CCN(c2ccccc2F)CC1,1.951439522 |
| Mol2456,CC(C)Oc1ccc(CCNC(=O)N2CCC[C@H]2C(=O)N2CCCCC2)cc1,2.692272178 |
| Mol2457,Cc1nc(NCc2sccc2C)n(C)n1,1.33383001 |
| Mol2458,CCc1nnc(N2CCCO2)c(C#N)c1CC,2.166868036 |
| Mol2459,c1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc3nc[nH]c3c2)n1,1.853436583 |
| Mol2460,O=C1NC2(CCCCC2)C(=O)N1Cc1csc(-c2ccccc2)n1,2.935432694 |
| Mol2461,Cc1ccc(OC[C@@H](O)[C@H](C)NC(C)C)c2c1CCC2,3.496669962 |
| Mol2462,Cc1ccc(CCC(=O)Nc2nccc3sccc23)o1,3.057528416 |
| Mol2463,Cc1cc(Nc2ncccn2)cc(C2CCCN(CC(=O)Nc3ccc(F)cc3)C2)n1,2.658694277 |
| Mol2464,N#CC1(C(=O)NCC2(C3CC3)CC2)CCCCC1,3.034711859 |
| Mol2465,O=C(CSc1ccc2c(c1)OCCO2)NC1CCCC1,3.765053253 |
| Mol2466,Cc1cc2nc(CCC(=O)N3CCc4n[nH]cc4C3)[nH]c2cc1C,2.278222981 |
| Mol2467,COc1cccc(C)c1C(=O)N(C)CCCn1cccn1,2.699194911 |
| Mol2468,O=C(c1ccc(Cl)cc1)N1CCC(c2nnc3n2CCCC3)CC1,1.027920136 |
| Mol2469,COc1cccc(O[C@H]2CCN(C(=O)c3cc(-c4ccc(C)cc4)on3)CC[C@@H]2O)c1,3.025956001 |
| Mol2470,CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(C(C)C)cccc2C(C)C)c(C(C)C)c1,2.231273298 |
| Mol2471,CC(C)Oc1cccc(C(C)NC(=O)c2ccnc(-n3cncn3)c2)c1,2.411877176 |
| Mol2472,N#Cc1cc(Oc2ccc3c(c2)CCC3)ncn1,2.4522757 |
| Mol2473,O=C(Nc1cncc(Cl)c1Cl)c1cccc(-n2cccn2)n1,2.173218329 |
| Mol2474,CC1CCC(O)(CSc2nnnn2C2CC2)CC1,2.549866086 |
| Mol2475,CCOCC(=O)Nc1cccc(CN2CCCC2)c1,2.700245823 |
| Mol2476,CC(C)(C)c1cnc(CN2CCC(=O)Nc3cc(F)ccc32)o1,2.977713091 |
| Mol2477,Cc1ccc2c(c1)cc(C(=O)N1CCOC(C(=O)N3CCc4ccccc4C3)C1)n2C,3.399656073 |
| Mol2478,Cc1cc(C)cc(OCCN(C)C(=O)NCCN2CCCCC2=O)c1,3.114870416 |
| Mol2479,CN1CCC(=C2c3ccccc3CCc3sccc32)CC1,3.329293921 |
| Mol2480,CN1CCC(CNc2nccc3cccnc23)CC1,3.182323047 |
| Mol2481,COc1cccc(CN(C)c2cc(N3CCCC3)ncn2)n1,3.649253348 |
| Mol2482,CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3cccc(O)c32)cc1,1.818423855 |
| Mol2483,CC(C)Cc1n[nH]c(-c2ccc(N3CCN(C)CC3)cc2)n1,2.373252312 |
| Mol2484,CN(C)C(=O)c1cncc(N(C)CCN(C)C2CCCC2)n1,1.509202522 |
| Mol2485,CCc1ccc(CNc2nncs2)o1,1.670811552 |
| Mol2486,Cc1noc(C)c1CSC(=N)N1CCOCC1,1.027920136 |
| Mol2487,O=C(O)Cc1ccc(Oc2ccncc2)cc1,1.027920136 |
| Mol2488,CCc1[nH]nc(NC2CCC(C(=O)OC)CC2)c1C,2.471828379 |
| Mol2489,CN(C)CC(=O)N1CCC(c2ccc(NC(=O)c3nc(C#N)c[nH]3)c(C3=CCCCC3)c2)CC1,1.750824551 |
| Mol2490,CNCc1cc(NC)nc(C2CCCN2C(=O)COc2ccccc2OC)n1,1.654147652 |
| Mol2491,NC(=O)CCCSc1nc(N)nc(-c2c(Cl)cc3c4c(cccc24)COC3)n1,2.256012588 |
| Mol2492,CC(C)(O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21,1.932016906 |
| Mol2493,Cn1ccc(CSc2n[nH]c(-c3cc(F)cc(F)c3)n2)n1,2.118800235 |
| Mol2494,COc1ccccc1-c1cc(C(C)(C)C)nc(-c2ncccn2)n1,2.228346454 |
| Mol2495,COc1ccc(OCc2n[nH]c(-c3n[nH]c4c3CCC4)n2)cc1,3.028671682 |
| Mol2496,CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@@H](n2cc(Br)c3c(N)ncnc32)[C@H](O)[C@H]1O,3.303912592 |
| Mol2497,OC1(Cc2nc(-c3ccsc3)no2)CCCCC1,3.01570546 |
| Mol2498,N#Cc1ccc2nc(NCCn3ccnc3)ccc2c1,1.736141429 |
| Mol2499,CN(Cc1cccc(Cl)c1Cl)Cc1cc(=O)n(C)c(=O)n1C,3.441501427 |
| Mol2500,Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)Cn3nc(C)ccc3=O)C2)n1,1.953865958 |
| Mol2501,Cc1ccc(C(=O)C2CCN(CC(=O)NC(=O)Nc3ccccc3)CC2)c(C)c1,2.971105995 |
| Mol2502,CN1CCNc2nc3ccccc3nc21,2.156709635 |
| Mol2503,CC1(C)CCCN1C(=O)c1c(F)cc(C#N)cc1F,1.842971001 |
| Mol2504,C[C@]1(O)CN(C(=O)Cn2cnc3ccccc3c2=O)CC[C@@H]1Oc1ccccc1,1.650365814 |
| Mol2505,CCN(C)S(=O)(=O)N(C)Cc1cnc2ccccc2c1,3.364869049 |
| Mol2506,N#Cc1ccc2ncnc(N[C@H]3CC[C@H](N4CCOCC4)CC3)c2c1,1.692291584 |
| Mol2507,c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1,1.683758266 |
| Mol2508,CO[C@@H]1CC[C@@H](N(C)C(=O)COc2c(C)cccc2C)[C@H]1O,2.209780336 |
| Mol2509,CN(CC1CCC1)C(=O)C1CCN(c2ccc3nncn3n2)CC1,2.099169406 |
| Mol2510,Cc1ccc(C#N)c(NCc2ccccc2-n2ccnc2)n1,2.793372647 |
| Mol2511,Cc1noc(COc2cccnc2C)n1,1.372249014 |
| Mol2512,Cc1cc(C(=O)NCC2CCN(c3ccc4ccccc4n3)CC2)cnc1C,2.67861943 |
| Mol2513,CC(C)Cc1ccccc1CNCc1ccc2[nH]cnc2c1,2.883857249 |
| Mol2514,Cc1cc(-c2nncc3c(C(C)(C)C)c(OCc4ncnn4C)nn23)no1,1.921967246 |
| Mol2515,CC(=O)N1CC[C@H]2O[C@H]3c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)cc4OC(C)(C)[C@@H]3C[C@H]2C1,1.027920136 |
| Mol2516,OCc1nnc(SCCSC2CCCCC2)n1C1CC1,2.862259024 |
| Mol2517,CC(C)CCNC(=O)CSc1nc2ccccc2[nH]1,3.043819913 |
| Mol2518,O=C(CSc1ccccn1)N1CCSc2ccccc21,3.805995088 |
| Mol2519,COc1ccccc1C(=O)CSc1nncn1C1CC1,2.6651277 |
| Mol2520,OCCC1(CNc2ncc(Br)cn2)CC1,1.913294507 |
| Mol2521,CC(C)Cc1cc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)n[nH]1,2.453306106 |
| Mol2522,CSc1cnc(N2CCCN(c3ncc(SC)cn3)CC2)nc1,3.267068424 |
| Mol2523,COc1cc(OC)cc(N2CCC(NCC3(C)CCOCC3)CC2)c1,1.765072201 |
| Mol2524,CN(C(=O)CSC(C)(C)C)c1ccccc1C#N,2.836985815 |
| Mol2525,CC(C)Oc1ccc(C2(C(=O)NC3CCS(=O)(=O)CC3)CCCC2)cc1,2.321453434 |
| Mol2526,C[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2N1,1.667508987 |
| Mol2527,COc1ccc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1OC,3.04908306 |
| Mol2528,Cc1cc(C)c2ccc(C(=O)N3CCN(c4ncc[nH]c4=O)CC3)cc2n1,1.727378569 |
| Mol2529,Cn1ccnc1-c1noc(NCc2ccccc2)n1,2.285167845 |
| Mol2530,CONC(=O)c1c(C)nn(C)c1Cl,1.027920136 |
| Mol2531,O=c1c2cccnc2ncn1[C@H]1CCCc2ccccc21,2.075134368 |
| Mol2532,CC(C)c1noc(CNC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)n1,1.867455702 |
| Mol2533,N#CCN1CCC(CNC(=O)c2c(F)ccc(F)c2F)CC1,1.197115081 |
| Mol2534,NS(=O)(=O)N1CCN(Cc2c(F)cccc2N2CCCC2)CC1,3.108690491 |
| Mol2535,CN(CCOc1ccccc1)CC(=O)NCCc1ccccc1,3.73427484 |
| Mol2536,CSc1nccc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)n1,3.412580487 |
| Mol2537,COCc1ccccc1COC(=O)c1ccc(C)nc1,3.346358648 |
| Mol2538,Cc1ccnc(N2CC(O)(c3ccc(F)cc3)C2)c1C#N,3.560187091 |
| Mol2539,CCOC(=O)c1ccc(-n2cc(Cc3cnc(OCC)nc3)c(=O)nc2SCc2ccc(F)cc2)cc1,3.558861267 |
| Mol2540,CC(C)(C)OC(=O)NCCCC(=O)N[C@H]1C[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@@H](O)[C@H]1O,2.20306826 |
| Mol2541,OCC1CN(c2nc3cc(F)ccc3o2)C1,1.236159231 |
| Mol2542,Cn1ncnc1COc1nn2c(-c3cc(F)ccc3F)nnc2cc1C(C)(C)C,1.729496866 |
| Mol2543,COc1nccnc1N1CCC(C(=O)Nc2cccc(F)c2)CC1,2.47454696 |
| Mol2544,COc1ccccc1CNc1cn[nH]c(=O)c1Cl,2.018221845 |
| Mol2545,CC(C)NC(=O)C1(Cc2ccccc2-c2ccncc2)CCOCC1,2.99170398 |
| Mol2546,NCCOc1cccc(CC(=O)N2CCC(F)(F)CC2)c1,1.027920136 |
| Mol2547,CN(C)C1(CNC(=O)N2CCC=C(c3ccccc3)C2)CCOCC1,2.941385201 |
| Mol2548,CCOC1CCN(c2ccnc(C(=O)NCc3ccccc3)c2)CC1,2.591440833 |
| Mol2549,CCCNC(=O)C1(NCc2cncnc2)CCCCC1,2.104049865 |
| Mol2550,COc1ccc(-c2ccc(Cn3nc(C)cc3C)cn2)cc1,2.406013599 |
| Mol2551,Fc1ccc(CCNc2ncnc3ncccc23)cc1,1.905542243 |
| Mol2552,CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1CCCCC1,3.474071815 |
| Mol2553,CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)N2,3.271781916 |
| Mol2554,NC(=O)c1cccc(Cn2cnc3c(oc4ccccc43)c2=O)c1,1.278639298 |
| Mol2555,Cn1c(=O)n(Cc2cccnc2)c(=O)c2ccc(C(F)(F)F)nc21,1.922798094 |
| Mol2556,COCCN(C)c1ccc(CN2CCc3nn(C)c(=O)cc3C2)cn1,1.341691662 |
| Mol2557,Cc1ccc(Cl)c(OC[C@@]2(O)CN(C3CCCC3)CC[C@@H]2O)c1,3.352061478 |
| Mol2558,CN(Cc1nc2c(s1)CCCC2)c1cnccn1,3.106013674 |
| Mol2559,Cc1cc(CN2CC(O)(CC#N)C2)ccc1F,2.846716799 |
| Mol2560,Cc1cc(C(=O)NC(C)(C)C#N)nn1-c1ccc(F)cc1,1.294201601 |
| Mol2561,COc1cccc(C(=O)NCC(=O)Nc2cccc3c2CCCC3)c1,2.783220886 |
| Mol2562,Clc1cccc(Cl)c1Cc1n[nH]c(CCCn2cccn2)n1,2.764486232 |
| Mol2563,CN1C(=O)[C@@H]2CN(CC3=CC[C@H]4C[C@@H]3C4(C)C)C[C@@H]2C1=O,3.379188723 |
| Mol2564,O=S(=O)(NC[C@H]1CCCN1)c1ccc(OC(F)F)cc1,1.537403484 |
| Mol2565,C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C,2.772600387 |
| Mol2566,CCN1CCN(c2ccc(Nc3ncnc4sccc34)cc2)CC1,1.791978213 |
| Mol2567,Cc1cc(CN2CCC(N(C)c3ncc(Cl)cn3)CC2)on1,2.103960996 |
| Mol2568,Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(Cl)c(Cl)c2)s1,3.377925553 |
| Mol2569,Cc1[nH]nc(CCC(=O)NCCCOC2CCCC2)c1C,3.382484243 |
| Mol2570,c1ccc2nc(N3CCCC4(CCNCC4)CC3)cnc2c1,2.694700821 |
| Mol2571,Cc1ccccc1C(=O)N1CCC(O)(Cn2ccnc2C)CC1,2.001279283 |
| Mol2572,CC1(C)[C@H]2C[C@H]3Oc4c(ccc(O)c4C(=O)NCCNS(C)(=O)=O)[C@H](O)[C@@]3(O)[C@@H]1C2,2.12715017 |
| Mol2573,CCN1CCN(S(=O)(=O)c2c[nH]c(C(C)C)n2)c2ccccc21,2.393736608 |
| Mol2574,CN1CCC[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1,2.498719839 |
| Mol2575,Cn1ncnc1NCc1cc(F)cc(F)c1,1.027920136 |
| Mol2576,O=C(NCC1(N2CCCCC2)CCCC1)c1cnn[nH]1,1.027920136 |
| Mol2577,CNC(=O)Cc1cccc(OCCN2CCCCC2)c1,1.757995427 |
| Mol2578,CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1CC1(O)CCCC1,2.030356805 |
| Mol2579,O=C(CSCCc1ccncc1)Nc1ccccc1,2.632281109 |
| Mol2580,C[C@H]1NC(=O)N(CCc2nc(C(F)(F)F)cs2)C1=O,1.394924244 |
| Mol2581,O=C(Cc1cn2ccccc2n1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,2.589565377 |
| Mol2582,Cc1nc(O)c(Cl)c(N(C)CC2CCN(C)CC2)n1,1.027920136 |
| Mol2583,OC1(c2cccnc2F)CCN(Cc2ccc(-c3ccc(F)cc3)o2)CC1,2.230987623 |
| Mol2584,CCN(CC(N)=O)CC(=O)N1c2ccccc2CCc2ccccc21,2.828490398 |
| Mol2585,CS(=O)(=O)NCc1cc2n(n1)CCN(C1Cc3ccccc3C1)C2,1.441930675 |
| Mol2586,Cc1cc(N(CCO)CCCO)ncc1Br,2.679317037 |
| Mol2587,Cc1ccc(-c2cnn3c(O)cc(Cn4cccn4)nc23)cc1,2.351527688 |
| Mol2588,Cn1cc(C(C)(C)NC(=O)C#Cc2ccc3c(c2)OCO3)cn1,1.70814885 |
| Mol2589,O=C1CN(C(=O)c2ccc(Cl)cn2)CCN1CCc1ccccc1,2.698271097 |
| Mol2590,Cc1ccc(F)c(-c2noc(N)c2C)c1,2.466183772 |
| Mol2591,Cc1c[nH]c(CNCc2ccccc2CC(C)C)n1,3.431209643 |
| Mol2592,COc1cccc([C@@H](C)n2cnc3cn(C)nc3c2=O)c1,1.827265857 |
| Mol2593,COc1ccc(C)nc1-c1ccc(OC)c(OC)c1OC,2.554897217 |
| Mol2594,CNc1ccc(/C=C/c2ccc(OCCOCCOCCF)nc2)cc1,2.751363029 |
| Mol2595,c1cc(-c2noc(CN3CCOCC3)n2)ccn1,1.474667812 |
| Mol2596,Cc1ccc2[nH]c(CNC(=O)c3ncoc3C)nc2c1C,2.387647835 |
| Mol2597,COc1ccc(Cl)cc1-c1cccc(C(=O)NCCN2CCCC2=O)c1,2.942241269 |
| Mol2598,COc1ccc(C(=O)c2ccc(C)cc2)c(OC)c1,3.478520755 |
| Mol2599,COc1ccc(C(=O)c2ccc(Cl)cc2)c(OC)c1,3.241915623 |
| Mol2600,Cc1cccc(N2CCN(CCCCNC(=O)c3c(F)cccc3F)CC2)c1,2.707985538 |
| Mol2601,Cn1nc(N)c2ccc(Br)cc21,1.976611303 |
| Mol2602,COC(=O)C1=NOC2(CCN(CCC(C)(C)C)CC2)C1,2.478225852 |
| Mol2603,COc1cc(CN2CCCNCC2)cc2c1OCO2,1.862554729 |
| Mol2604,c1ccc(CC2=NCCN2)cc1,1.027920136 |
| Mol2605,Cc1cc(F)ccc1-c1nc(CCn2c(C)nc3ccccc32)no1,3.254089615 |
| Mol2606,Cc1ccc2oc(C(=O)N3CC[C@H](O)[C@@H](N4CCOCC4)CC3)cc2c1,3.099346334 |
| Mol2607,c1cnc(NCc2cnc3ccsc3c2)nc1,1.72381675 |
| Mol2608,Cc1nn(C)c2ncc(CNc3ccon3)cc12,1.152869054 |
| Mol2609,CCOc1ccc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1OC,3.34628039 |
| Mol2610,CC(C)C(=O)N1CCn2nc(CNC3CCc4ccccc4CC3)cc2C1,2.311870363 |
| Mol2611,CCCn1cnnc1CN(C)Cc1cc(C(C)C)on1,2.727588425 |
| Mol2612,CC1(CNC(=O)N2CCN(Cc3ccon3)CC2)CCCC1,2.488994654 |
| Mol2613,CCCS(=O)(=O)c1nc(NC2CC2)cc(-c2ccc3c(ccn3C3CC(C)(C)NC(C)(C)C3)c2)n1,2.09095251 |
| Mol2614,Cc1cc(C)c2c(C(=O)N3CC4(CNC(=O)N4)C3)cc(C)nc2c1,1.487279816 |
| Mol2615,CN(C)S(=O)(=O)CCCN1CCc2ccccc2CC1,2.855173763 |
| Mol2616,COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2,1.932113394 |
| Mol2617,CN(C)c1ccnc2sc3c(=O)n(N4CCCCCC4)cnc3c12,1.958769276 |
| Mol2618,CNCc1cc(N(C)C)nc(C2CCCN2C(=O)CCc2c[nH]c3ccccc23)n1,2.591536507 |
| Mol2619,CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3cc(C)n(C)n3)nc21,1.303951634 |
| Mol2620,Cc1nc(-c2ccc(S(=O)(=O)N(C)C)cc2)cc(C(C)C)n1,3.348896114 |
| Mol2621,Cc1cc(C)n2nc(C)c(C(=O)NCCc3nnc(C)s3)c2n1,1.519565501 |
| Mol2622,CN(C)S(=O)(=O)CCCN1CCC(CCC(N)=O)CC1,1.027920136 |
| Mol2623,Cc1cccc(C)c1CNC1(CCO)CCOCC1,1.871018039 |
| Mol2624,CCOc1cccc(-c2cccc(N)n2)c1,2.745395707 |
| Mol2625,CN(Cc1ccc(C(=O)O)cc1)C(=O)c1ccnn1C,1.027920136 |
| Mol2626,CCN(CC)CC(=O)Nc1ccc(Oc2ccc(C)nn2)cc1,1.499824496 |
| Mol2627,CC(C)c1nnc(NCc2cc(F)cc(F)c2)o1,2.046085259 |
| Mol2628,Cc1cc(C)c2[nH]c(C(=O)N3CC[C@@](O)(CC(C)C)[C@@H](Oc4ccc(F)cc4)C3)c(C)c2c1,3.281688408 |
| Mol2629,CSc1ccccc1S(=O)(=O)NC1CCC(CN(C)C)CC1,2.64349413 |
| Mol2630,Cc1cccc(N(C)Cc2cnc(N(C)C)nc2)n1,3.248238669 |
| Mol2631,CCc1sc(N)nc1-c1ccc(OC)cc1,2.691289302 |
| Mol2632,O=c1c2sccc2nc2n1CCN(Cc1cc(F)ccc1F)CC2,3.339392405 |
| Mol2633,COc1ccc(OC)c(S(=O)(=O)NCCC(=O)Nc2ccccc2C)c1,2.789264041 |
| Mol2634,CCOCCC(=O)N1CCC2(CCCN(C)CC2)CC1,1.485210191 |
| Mol2635,Cc1n[nH]c(C2CCN(C(=O)NC3CCN(c4ccc(F)cc4)CC3)CC2)n1,1.583720068 |
| Mol2636,COCCc1noc(CN(C)C(=O)c2ccc3c(c2)CCC3)n1,2.419673283 |
| Mol2637,OCCN1CCN(c2ccnc3ccc(Br)cc23)CC1,2.055611473 |
| Mol2638,Cc1cccc(C)c1OCCn1nnnc1C,1.987407041 |
| Mol2639,O=c1c(CO)cc2cc3c(cc2n1Cc1ccccn1)CCC3,3.069236918 |
| Mol2640,COc1cccc(Oc2ccc(NC(=O)CN3CCCCC3=O)cn2)c1,1.8853386 |
| Mol2641,N[C@@H]1CCCN(c2c(/C=C3\SC(=O)NC3=O)cccc2-c2ccccc2)C1,1.413165598 |
| Mol2642,CNc1nc(Nc2cnn([C@H]3CCN(C4COC4)C[C@@H]3F)c2Cl)ncc1C(F)(F)F,1.784560239 |
| Mol2643,Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3CCCCC3)NC(=O)OCC3c4ccccc4-c4ccccc43)ccc12,1.027920136 |
| Mol2644,C[C@H](NC(=O)CCC(F)(F)F)C(=O)N[C@@H]1C(=O)N(CCO)c2ncccc2-c2ccccc21,1.032256026 |
| Mol2645,CNc1nc(C)nc(N[C@H]2CCC[C@@H](C(=O)NCc3ccc(C#N)cc3C(F)(F)F)C2)n1,1.960570659 |
| Mol2646,O=C([C@@H]1CCCN1C(=O)NC(c1ccccc1)c1ccccc1)N1CCCCC1,2.937915395 |
| Mol2647,O=c1c2oc3ccccc3c2ncn1Cc1ccc(F)c(F)c1,2.896364705 |
| Mol2648,COc1cccc(Cc2nc3sc4c(c3c(=O)[nH]2)CCSC4)c1,3.450775794 |
| Mol2649,COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@@H](CC(C)C)CN1CC2,2.519096556 |
| Mol2650,Cc1cc(NCC2(c3ccncc3)CC2)ncn1,2.297381843 |
| Mol2651,CC(C)c1ccc(CN2CCN(C(=O)C3CCN(C(=O)C4CC4)CC3)CC2)cc1,2.57847417 |
| Mol2652,c1ccc2nc(NCCn3ccnc3)cnc2c1,2.64485791 |
| Mol2653,Cc1nnc(COc2cccc(-n3ccnc3)c2)n1C1CC1,1.219348717 |
| Mol2654,N#Cc1cnc2cc(F)cc(F)c2c1NC1CCN(CC(N)=O)CC1,1.437845653 |
| Mol2655,C#Cc1cccc(N(CC(=O)NC(N)=O)Cc2cccs2)c1,3.205708492 |
| Mol2656,Cn1cnnc1-c1cccc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1,2.488270026 |
| Mol2657,Cc1cc(Nc2nnc(C)s2)cc(C2CN(C(=O)Cc3csc(C)n3)CCO2)n1,2.013241816 |
| Mol2658,CC(=O)N[C@H]1CCN(C(=O)N[C@H](C)C(c2ccccc2)c2ccccc2)C1,2.916352865 |
| Mol2659,CC(C)CCN1CCC(CNC(=O)C2CC=CC2)CC1,2.15012372 |
| Mol2660,Cc1cccc(NC(=O)CN(C)Cc2nc3ccc(Cl)cc3c(=O)[nH]2)c1C,3.102586334 |
| Mol2661,Cc1cccc2cc(C(=O)NCCCn3nnc4ccccc43)n(C)c12,3.14947407 |
| Mol2662,C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21,1.535711754 |
| Mol2663,COc1ccnc(N2CC(O)(C3CC3)C2)n1,1.412191655 |
| Mol2664,Cn1cnnc1-c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1,2.255494421 |
| Mol2665,O=c1c2cccnc2ncn1Cc1ccc2c(c1)CCCC2,2.851885482 |
| Mol2666,O=C(NC1CCCCC1)C1=CCN(C(=O)C2CC2)C1,1.473720477 |
| Mol2667,CCN(CCO)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1,1.027920136 |
| Mol2668,Cc1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1,3.002522426 |
| Mol2669,CCCc1ncncc1C(=O)NCc1noc(C2CC2)n1,2.04767976 |
| Mol2670,Cc1nccc(N(C)Cc2nc(-c3cccnc3)no2)n1,2.300630261 |
| Mol2671,COc1cc(C#N)ccc1Cn1ccnc1C(C)C,2.219733806 |
| Mol2672,CC(C)CCN1CCc2nc3cc(C4CC4)nn3c(O)c2C1,1.481456961 |
| Mol2673,Cc1c(C(=O)Nc2ccc(N3CCC(N4CCOCC4)CC3)c(C#N)c2)cnn1-c1ccc(Cl)cc1,2.468468443 |
| Mol2674,CCCc1nnc(N2CCC3(CCCC3)C2)s1,3.334054258 |
| Mol2675,COC(=O)c1cccc2c1CCCN2C(=O)c1ccccc1,3.310941925 |
| Mol2676,N#Cc1ccc(CNc2cnc3ccccc3c2)o1,2.376326892 |
| Mol2677,c1ccn2cc(CSc3ccc(-n4cccn4)nn3)nc2c1,2.799210931 |
| Mol2678,COc1cc(CCNC2CCC3(CC2)OCCO3)ccc1F,3.350642001 |
| Mol2679,COc1ccc(OCc2n[nH]c(-c3ncoc3C(C)C)n2)cc1,2.710964809 |
| Mol2680,Cc1ccc(Cl)c(OC[C@@]2(O)CN(C3CCC3)CC[C@@H]2O)c1,3.360073047 |
| Mol2681,CCc1[nH]nc(NC2CCN(C(C)C)CC2)c1C,2.211571695 |
| Mol2682,CCCOc1c2c(nc3cc(C4CCOCC4)nn13)CCC2,1.206744944 |
| Mol2683,O=c1c2ccccc2nc2n1CCN(Cc1ccc(F)cc1)CC2,2.75236579 |
| Mol2684,O=S(=O)(NCc1n[nH]c2c1CCCCC2)c1ccc(OC(F)F)cc1,3.244757178 |
| Mol2685,CN1CCN(c2oc(-c3cccc4ccccc34)nc2C#N)CC1,3.203969854 |
| Mol2686,Cc1nnc(CN(C)Cc2cnn(C)c2C)s1,1.301724312 |
| Mol2687,COc1ccc(CN2CC(c3ccncc3)C2)cc1Cn1cccn1,2.599287965 |
| Mol2688,O=C(C1CCC1)N1CCC[C@H]1Cn1nnc(-c2cccs2)n1,3.676817937 |
| Mol2689,CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2ccccc2)nc2nc(N)sc12,2.517313366 |
| Mol2690,Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCCC3)n1,3.325415529 |
| Mol2691,COc1ccc(CNC(=O)CCSc2nc3c(=O)n(C)c(=O)n(C)c3n2C)cc1,2.392191039 |
| Mol2692,CC(C)COc1ccc(C(C)(C)NCc2nnc(C3CCC3)o2)cc1,3.487681399 |
| Mol2693,c1csc(Cc2nc(-c3cnccn3)no2)c1,1.907610188 |
| Mol2694,CCCN(C(=O)c1ccc(COC)o1)c1nc2c(s1)CCc1c-2cnn1C,1.9493968 |
| Mol2695,COCC(=O)N(CC1CCCO1)c1nc2c(s1)CCc1c-2cnn1C,1.152288344 |
| Mol2696,CC(C)(C)c1nc(O)c2nnn(C3CCNCC3)c2n1,1.027920136 |
| Mol2697,O=C(Nc1ncccc1OC(F)F)C1CCCCC1,3.038994297 |
| Mol2698,CCNc1cc2c(nn1)CCN(C(=O)Cn1ccc3ccccc31)C2,1.969178197 |
| Mol2699,Cc1cc(N2CCC(C(=O)NC3CCCCC3)CC2)nc(-c2ccncc2)n1,2.285721545 |
| Mol2700,COc1ccnc(N2CCCN(Cc3ccccc3C)CC2)n1,3.370785387 |
| Mol2701,COc1ccc(OC)c(C(=O)/C=C/c2ccccc2)c1,3.293024491 |
| Mol2702,CN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)cccc23)C1=O,1.887257114 |
| Mol2703,CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(N[C@H]4CC[C@H](OC(=O)CN)CC4)c3)c2C1,2.671385411 |
| Mol2704,Cc1ccc(=O)n(CC2(O)CCN(Cc3ccc4ccccc4n3)CC2)n1,1.954541587 |
| Mol2705,O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,1.165562747 |
| Mol2706,c1ccc(-c2cn(C3CNC3)nn2)cc1,1.455773409 |
| Mol2707,COc1cc2nc(-c3ccc(N4CCN(C)CC4)cc3)nc(NCCN3CCOCC3)c2cc1OC,1.958776856 |
| Mol2708,N#Cc1nc(-c2ccccc2)oc1NCc1ccccc1,3.393340533 |
| Mol2709,Cc1ccc(C)c(OCCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1,3.810497451 |
| Mol2710,O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccn1,2.217615529 |
| Mol2711,O=C(CCCCCCC(=O)Nc1ccccc1)NO,1.437417582 |
| Mol2712,Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1C,3.377411795 |
| Mol2713,Cc1cnccc1NC(=O)COc1ccccc1C#N,2.480025637 |
| Mol2714,CCOC(=O)N1CCc2cc(NC(=O)c3oc(C)cc3C)ccc21,2.072610128 |
| Mol2715,Nc1ccc2c(c1)ncn2-c1ccccc1,1.402312979 |
| Mol2716,Cc1cc2c(s1)c1cnn(Cc3ccccc3F)c(=O)c1n2C,3.423961951 |
| Mol2717,Cn1c(=O)oc2cc(NC(C3CC3)C3CC3)ccc21,2.268596691 |
| Mol2718,O=C(c1nccc2ccccc12)N1CCC(COc2ccccn2)CC1,3.733402884 |
| Mol2719,CO[C@H]1[C@H](C2(C)O[C@@H]2CC=C(C)C)[C@]2(CC[C@H]1OC(=O)/C=C/c1ccc(OCCN(C)C)cc1)CO2,2.900126151 |
| Mol2720,NC1(c2nc(-c3ccsc3)no2)CCCCC1,2.650205496 |
| Mol2721,CCCc1cnc(C)nc1N(C)CCC(C)(C)O,2.190014968 |
| Mol2722,CN(Cc1nc2ccccc2n1C)c1ccnc(-c2ccccc2)n1,3.24054226 |
| Mol2723,Cc1nccc(-c2cccc(NCC(=O)NCc3ccccc3)c2)n1,2.814836026 |
| Mol2724,CCOc1ccc2c(c1)cc(CN1CCSCC1)c1nn(C)c(=O)n12,2.780831967 |
| Mol2725,O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(CC2CC2)CC1,2.781178565 |
| Mol2726,Nc1ncccc1OCc1cccc(Cl)c1,2.857942493 |
| Mol2727,Cc1ccn(CCC(=O)N2CCc3nc4sccc4c(=O)n3CC2)n1,2.383677159 |
| Mol2728,N#CCc1ccc(OCc2ccncc2)cc1,2.571881118 |
| Mol2729,CN1C(=O)c2ccc(C(=O)N3CCN(C4CCCCC4)CC3)cc2C1=O,2.137537666 |
| Mol2730,COc1cc(Nc2c(C#N)cnc3cc(OC)c(OC)cc23)c(Cl)cc1Cl,2.646507631 |
| Mol2731,CCN(CC)Cc1cnc(NC(=O)c2ccccc2)s1,2.284299862 |
| Mol2732,Cc1cc(C(F)(F)F)nc(N(C)Cc2c(C)noc2C)n1,2.769927232 |
| Mol2733,Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1,2.733012532 |
| Mol2734,COc1cc(C)nc(N2CCN(c3ccc4ccccc4n3)CC2)n1,2.808135319 |
| Mol2735,Cc1cccc(C)c1OCC(=O)N(C)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O,2.017751002 |
| Mol2736,O=C(Nc1cccc2ncccc12)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1,2.843579701 |
| Mol2737,O=C(CN1CCCC1=O)N1CCc2nc3sccc3c(=O)n2CC1,1.027920136 |
| Mol2738,Cn1ccc(C(=O)NCCc2cc3nc(-c4ccncc4)ccn3n2)n1,2.022605682 |
| Mol2739,Cc1ccnc(NC(=O)c2ccnc(C)n2)c1,2.754764081 |
| Mol2740,CN1CCCN(C(=O)Nc2cccc(OCC(F)F)n2)CC1,2.280705818 |
| Mol2741,CN(C(=O)[C@@H](N)Cc1ccccc1)c1ccccc1,2.593793186 |
| Mol2742,O=C1OCCN1CCN1CCC(c2cc3ccccc3[nH]2)CC1,2.688189264 |
| Mol2743,Cn1nccc1C(=O)NCCc1cc2nc(-c3cccs3)ccn2n1,2.751771641 |
| Mol2744,COc1cc(-c2cn(C3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1,1.692000366 |
| Mol2745,Brc1cnc(N2CCCN(c3ccccc3)CC2)nc1,3.753651376 |
| Mol2746,O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1,2.709458228 |
| Mol2747,C[C@@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)CCc1ccccc1,3.552021768 |
| Mol2748,Cc1cnc(CNC2(c3nccs3)CCCC2)cn1,2.389173175 |
| Mol2749,Cc1ccc(C)c(NC(=O)c2cccc(-c3ncon3)c2)c1,2.215211783 |
| Mol2750,Cn1cc(Br)cc1C(=O)N1CCc2nn[nH]c2C1,1.641464195 |
| Mol2751,Cc1cnc(-c2nc(NCc3cccnc3)ncc2-c2cc(C)no2)cn1,2.417443459 |
| Mol2752,Cc1noc(CCNc2cccc(F)c2C#N)n1,2.425499984 |
| Mol2753,CN(C(=O)c1cccc(C(=O)O)c1)c1ccccc1,1.027920136 |
| Mol2754,O=C(NCC1(Sc2ccccc2)CC1)c1ccc(=O)[nH]n1,2.753397659 |
| Mol2755,O=c1n(Cc2ccncc2)nc2n1-c1cc(Cl)ccc1C1=NCCN12,2.156040056 |
| Mol2756,CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(C)C)C2,2.363551219 |
| Mol2757,CC(C)C[C@H](C(=O)N[C@H](C(=O)OC1CCCC1)c1ccccc1)[C@@H](O)C(=O)NO,2.776868188 |
| Mol2758,CCN(C(=O)c1cccc(-n2cccn2)c1)c1ccc(C#N)c(Cl)c1,3.313590955 |
| Mol2759,CN1CCN(c2cccc(C#N)n2)CC1,2.790511755 |
| Mol2760,N#CC1(NC(=O)c2ccc3c(c2)OCO3)CCCC1,1.811963552 |
| Mol2761,Cc1ccc(OCC(=O)Nc2cc(C)on2)nc1,1.027920136 |
| Mol2762,Nc1nccc2c1ncn2[C@H]1C=C(CO)[C@@H](O)[C@H]1O,1.212986185 |
| Mol2763,CCc1nc2ccccc2n1CC(=O)Nc1cnc2ccccc2c1,2.274342616 |
| Mol2764,Cc1c(C(=O)NCC2CCSCC2)nnn1-c1cccc2cnccc12,3.247574367 |
| Mol2765,CCOc1cc(N2CCc3nc[nH]c3C2)ncn1,1.890856771 |
| Mol2766,CN(Cc1cnccn1)Cc1nc(N)c2ccccc2n1,2.661308081 |
| Mol2767,Cc1nc(C)n(-c2ccccc2NC(=O)c2cc(C#N)cn2C)n1,2.211553018 |
| Mol2768,N#Cc1ccccc1CN1C(=O)CCC1=O,1.310480891 |
| Mol2769,Cc1ccc(CNc2cncc(-n3nc(C)cc3C)n2)cn1,2.401515993 |
| Mol2770,NC1(c2noc(-c3cccnc3)n2)CCCCCC1,2.647138366 |
| Mol2771,COc1cc(-c2cnc(NC3CC3)nc2-c2cccs2)nc(OC)n1,2.686076509 |
| Mol2772,COCc1ncc(CN2CCC(Oc3ccccc3C)CC2)cn1,2.255308695 |
| Mol2773,CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O,1.027920136 |
| Mol2774,N#Cc1cc(F)ccc1Cn1ccnc1-c1ccccn1,2.617562252 |
| Mol2775,Cc1cc(C(=O)N(C)Cc2ccccc2C)[nH]n1,2.37792519 |
| Mol2776,Cc1nc(C)c(C(=O)Nc2ccc3ncccc3c2)o1,1.541566764 |
| Mol2777,Cc1cc2c(=O)n3c(nc2s1)CCNCC3,1.829020585 |
| Mol2778,CN(c1ccccc1N)S(C)(=O)=O,1.381494133 |
| Mol2779,CC(C)c1ccc2occ(CC(=O)O)c2c1,1.027920136 |
| Mol2780,O=C(Nc1cc[nH]n1)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1,1.728118306 |
| Mol2781,Cc1c(O)cccc1OCCN1CCOCC1,1.730119835 |
| Mol2782,C[C@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@H]1O,1.027920136 |
| Mol2783,c1ccc(-c2noc(C3CCNCC3)n2)nc1,1.027920136 |
| Mol2784,CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,3.566639684 |
| Mol2785,Cc1cc(SCc2ccc(Cl)nc2)nc2ccccc12,3.139084987 |
| Mol2786,Cc1nc(C)c(C(=O)NCc2ncoc2C)s1,1.027920136 |
| Mol2787,CC(=O)N1CCc2c(sc(NC(=O)C(C)C)c2-c2nc3ccccc3s2)C1,2.357718578 |
| Mol2788,Cc1cc(C)nc(SCC(=O)N2c3ccccc3C(C)(c3ccccc3)CC2(C)C)n1,3.495298993 |
| Mol2789,Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O,1.027920136 |
| Mol2790,O=c1[nH]c2ccccc2n1C1CCN(Cc2coc(-c3cccs3)n2)CC1,2.677144128 |
| Mol2791,Cn1nccc1C(=O)C1CCN(C(=O)c2cc(C(C)(C)C)nn2C)CC1,1.990796 |
| Mol2792,O=C(CCc1cnn(-c2ccccc2)c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,3.576211388 |
| Mol2793,N#Cc1cc(N2CC(CO)C2)nc2ccc(Cl)cc12,2.084236573 |
| Mol2794,CN(C)c1ccnc(C(=O)Nc2ccnn2-c2ccc(C#N)cc2)c1,2.649213122 |
| Mol2795,Cc1nc(-c2cccc(C(N)=O)c2)sc1-c1ccc(F)cc1,2.595794834 |
| Mol2796,CCc1nsc(N2CCS(=O)(=O)CC2)n1,1.027920136 |
| Mol2797,Cc1nc(C2CCN(c3ccc(F)cc3C#N)CC2)no1,2.72156909 |
| Mol2798,CC(C)(C)c1cc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc(C(C)(C)C)c1,3.013715165 |
| Mol2799,CC(C)(C)c1cc(NS(=O)(=O)c2cccc(F)c2)cc(C(C)(C)C)c1,2.485189486 |
| Mol2800,Cc1nc(C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n[nH]1,1.147707234 |
| Mol2801,Cc1noc(Cc2ccc(C)c(O)c2)n1,1.717678823 |
| Mol2802,CC(C)N1CCN(CCCSc2ncc[nH]2)CC1,1.939813674 |
| Mol2803,O=C(Nc1ccc(C2CCCCC2)cc1)c1ccc(S(=O)(=O)NCc2cccnc2)cc1,2.781370867 |
| Mol2804,O=C(COC(=O)c1cc(O)nc2ccccc12)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1,2.264647954 |
| Mol2805,COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)S(C)(=O)=O,3.136159078 |
| Mol2806,O=S(=O)(NCCC(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1,3.969621762 |
| Mol2807,CN1C(=O)COc2cc(NC(=O)C3CC=CC3)ccc21,1.967079734 |
| Mol2808,CN(C)c1ncc(CN2CCC(Cc3ccc(F)cc3)CC2)s1,3.409779319 |
| Mol2809,CC(C)c1nc(/C=C/c2cnn(C)c2)ncc1C(=O)O,1.027920136 |
| Mol2810,Cc1sc2ncn(Cc3c(F)cccc3Cl)c(=O)c2c1C,2.879027029 |
| Mol2811,COCC(=O)NC1(C#Cc2ccc(NC(=O)C3CC3)nc2)CCCCC1,2.184282491 |
| Mol2812,O=C(COc1cccc(-n2cncn2)c1)N1CCc2ccccc21,2.526855987 |
| Mol2813,Cc1nc(Cn2nnnc2C(C)(C)C)nc2ccccc12,2.859732568 |
| Mol2814,COc1cccc(CNC(=O)C2(C#N)CCOCC2)c1,1.880390521 |
| Mol2815,NCc1ccc(-n2cnc3ccccc32)cc1Cl,1.557001634 |
| Mol2816,Oc1cncc(/C=C/c2nc(-c3ccncc3)no2)c1,2.378980809 |
| Mol2817,N#Cc1c(Cl)nc(N)n1-c1ccccc1,1.44294987 |
| Mol2818,CC(C)c1cc(C(=O)Nc2ncccc2Cl)no1,1.813487582 |
| Mol2819,Cc1noc(CC2CCN(Cc3cccnc3)CC2)n1,1.689104542 |
| Mol2820,CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H]1C(=O)N(C)CCc2ccccc21,1.152288344 |
| Mol2821,NC(CO)(CO)CCc1ccc(Sc2cccc(OCc3ccccc3)c2)cc1Cl,1.152288344 |
| Mol2822,COc1ccc(F)cc1-c1ccc(-c2nnco2)cc1,2.521983611 |
| Mol2823,Cc1cc(C)nc(SCC(=O)N2c3ccccc3C(C)(c3ccc(Cl)cc3)CC2(C)C)n1,3.324075423 |
| Mol2824,COc1ccc(Cc2noc(-c3cccc4c3OCC(=O)N4)n2)cc1,2.170892158 |
| Mol2825,O=C(Nc1c(F)cccc1Oc1ccccc1)c1cnccn1,3.035037696 |
| Mol2826,O=C(Nc1nnc[nH]1)c1ccc(C2SCCCS2)cc1,2.166616581 |
| Mol2827,O=C(Nc1ccccc1)c1scnc1-c1ccccc1,3.016727973 |
| Mol2828,CCC(=O)Nc1sc2c(c1C#N)CCC2,2.580826935 |
| Mol2829,CCCNC(=O)c1ccc(OC2CCN(C)CC2)cc1,1.54550504 |
| Mol2830,COc1ccncc1NCc1cscn1,1.404765318 |
| Mol2831,CONC(=O)c1c2c(nc3ccccc13)CCC2,1.027920136 |
| Mol2832,O=c1n(Cc2ccccn2)nc2n1-c1cc(Cl)ccc1C1=NCCN12,1.680598368 |
| Mol2833,Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21,1.960475918 |
| Mol2834,N#Cc1ccc(-c2cccc(CN)c2)s1,2.745975253 |
| Mol2835,CCNC1=N[C@H]2[C@H](O[C@@H](CO)[C@H](O)[C@@H]2O)S1,1.027920136 |
| Mol2836,Cc1ncsc1-c1nc(CNc2cc(F)cc(F)c2)no1,2.82022117 |
| Mol2837,C=CCNC1=C2C[C@@H](C)C[C@@H](OC)[C@@H](O)[C@@H](C)/C=C(\C)[C@@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O,3.005442641 |
| Mol2838,CN1CCN(C(=O)c2ccc3cc(CCNc4ncnc5ccc(C#N)cc45)ccc3c2)CC1,2.376649942 |
| Mol2839,Cc1cc(C)n(C(=O)CCCC(=O)n2nc(C)cc2C)n1,3.369321078 |
| Mol2840,COc1ccc(NC(=O)CN2CCCC2)cc1,3.268166648 |
| Mol2841,Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)c2c(n3S(=O)(=O)c3ccc(C)cc3)CCC2)cc1,3.172209271 |
| Mol2842,Nc1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1,2.335342049 |
| Mol2843,CN(C)c1ccnc(NCc2ccc(F)cc2)n1,3.251684932 |
| Mol2844,N#CC1(NC(=O)Cc2cc3c(ccc4ccccc43)o2)CCOCC1,2.848311688 |
| Mol2845,COc1ccccc1C(=O)/C=C/c1ccccc1C(F)(F)F,3.138438493 |
| Mol2846,Cc1nc2ccccc2c(C(=O)O)c1C,1.027920136 |
| Mol2847,Cc1ccc(-c2ccc(F)cc2COc2ccc(CCC(=O)O)cc2)cc1,2.296487488 |
| Mol2848,C[C@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)Cc1cccs1,2.912121578 |
| Mol2849,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(F)(F)F,1.027920136 |
| Mol2850,O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1,2.390097489 |
| Mol2851,c1cnc(NCc2cccc3cnccc23)nc1,2.250007471 |
| Mol2852,CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1,1.230448921 |
| Mol2853,Cc1cccc(NC(=O)C(=O)c2c(C)nn(C)c2C)n1,2.36398783 |
| Mol2854,CN(C)c1ncncc1NC(=O)c1ccc(C(F)(F)F)nc1,1.027920136 |
| Mol2855,COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C,1.862783943 |
| Mol2856,O=C(c1cc(F)ccc1O)N1CCN(C2CCOCC2)CC1,2.30227247 |
| Mol2857,c1cnc2c(Oc3ncnc4sccc34)cccc2c1,2.387852353 |
| Mol2858,Cc1nn(C)c2nc(-c3ccncc3)cc(C(=O)O)c12,1.027920136 |
| Mol2859,Cc1cc(NC(=O)c2ccc(NC3CC3)nc2)[nH]n1,1.191283301 |
| Mol2860,COc1cccc(CN2CCc3nc(-c4cnccn4)nc(O)c3C2)c1,1.424407899 |
| Mol2861,Cc1cc(N(C)CC(C)(C)O)ncc1Br,2.986764123 |
| Mol2862,Cc1cc(C(=O)O)nn1-c1ccccn1,1.027920136 |
| Mol2863,Cc1cc(CSCc2c(C)noc2C)no1,3.281587592 |
| Mol2864,Cc1ccc(NC(=O)c2ccn(C(C)C)n2)cc1N1C(=O)CCC1=O,1.283255987 |
| Mol2865,Cc1ccc(CCNc2nc(C)cc(C)n2)cn1,2.283733046 |
| Mol2866,CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1,2.544740609 |
| Mol2867,O=C(NCc1ccc(CN2CCS(=O)(=O)CC2)cc1)c1ccon1,1.027920136 |
| Mol2868,CCOc1ccc(Oc2ccc(OCc3cc(F)ccc3F)cc2)c(N)c1,2.017667614 |
| Mol2869,NCCCc1nc(-c2ccncc2)cs1,2.378399718 |
| Mol2870,CCN(Cc1cccs1)C(=O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1,3.447533999 |
| Mol2871,O=c1[nH]c2ccccc2n1C1CCN(Cc2csc(COc3ccc(F)cc3)n2)CC1,3.038644002 |
| Mol2872,Cc1ccc(OCCCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1,3.188219542 |
| Mol2873,O=c1[nH]c2ccccc2n1C1CCN(Cc2nc(Cc3ccccc3)no2)CC1,2.933126745 |
| Mol2874,O=C(Cc1csc(-c2ccc(F)cc2)n1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,3.449672284 |
| Mol2875,Cc1cc(OCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)ccc1Cl,3.160701073 |
| Mol2876,O=C(CCc1ccc(-c2ccccc2)o1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,3.246697956 |
| Mol2877,Cc1nc(CCNc2cnccc2C#N)cs1,2.591743357 |
| Mol2878,Cc1cc(C(=O)N2CCS(=O)(=O)CC2)c(C)o1,1.027920136 |
| Mol2879,O=C(NCc1cccc2c1OCCCO2)c1cscn1,1.918308238 |
| Mol2880,Nc1c(-c2ccc(F)cc2)ncn1Cc1ccccc1,2.570413333 |
| Mol2881,Cn1ncc2c(NOCc3ccccc3)ncnc21,1.695858019 |
| Mol2882,Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])s3)cc2)n1,1.758465263 |
| Mol2883,N#Cc1cnc2ccccc2c1OCCO,1.10404303 |
| Mol2884,CCN(CC)C(=O)Oc1cccc2cccnc12,2.275953681 |
| Mol2885,CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1,1.701272404 |
| Mol2886,NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1,1.23299611 |
| Mol2887,Cc1ccccc1S(=O)(=O)N[C@@H]1CC[C@@H](O)[C@@H]1O,1.247703282 |
| Mol2888,CC(C)c1noc(-c2ccc(N)cc2)n1,2.198013415 |
| Mol2889,O=S(=O)(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1,1.23299611 |
| Mol2890,Cc1ccc2[nH]c(CNC(=O)c3cc(C(F)F)nn3C)nc2c1C,2.269449897 |
| Mol2891,Oc1c(C(c2ccc(F)cc2)N2CCCCC2)ccc2cccnc12,2.581841835 |
| Mol2892,CCCCN(CC)c1nc(C)nc2c1c(C)c(C)n2-c1c(C)cc(C)cc1C,3.140664826 |
| Mol2893,O=C(CCC1CCOCC1)Nc1ccc(C(=O)O)cc1,1.027920136 |
| Mol2894,Cc1nc(CS(C)(=O)=O)sc1C(=O)Nc1ccccc1,1.027920136 |
| Mol2895,O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1,2.996752831 |
| Mol2896,CC(C)(C)c1csc(Cn2ccnc2-c2ccccn2)n1,3.417478502 |
| Mol2897,Cc1cccnc1CNC(=O)c1ccc(Cl)s1,2.600981603 |
| Mol2898,CCNC(=O)c1cc(N2CCC(N3CCCC3=O)CC2)ccn1,1.027920136 |
| Mol2899,O=C(NC[C@]1(O)CCN(Cc2cccs2)C[C@H]1O)c1c[nH]cn1,1.027920136 |
| Mol2900,CCc1noc(-c2ccc(C)c(N)c2)n1,2.292397859 |
| Mol2901,Cc1ccc(S(=O)(=O)N2CCCc3ccc(NS(=O)(=O)c4ccc(F)cc4C)cc32)cc1,3.38298213 |
| Mol2902,Cc1ccc(S(=O)(=O)N2CCCc3ccc(NS(=O)(=O)c4cc(F)ccc4F)cc32)cc1,3.35375207 |
| Mol2903,CC1(C)[C@H]2C[C@H]3Oc4c(ccc(O)c4C(=O)NCCc4ccccn4)[C@H](O)[C@@]3(O)[C@@H]1C2,2.959167844 |
| Mol2904,Clc1cnc(NCC2(c3ccncc3)CC2)nc1,2.673481697 |
| Mol2905,CCOc1ccc(CC(=O)N2CCC3(CC2)Nc2cc(C)ccc2-n2cccc23)cc1OCC,2.980428817 |
| Mol2906,COCc1ncc(CN2CCC(Oc3cccc(C)c3)CC2)cn1,2.116352006 |
| Mol2907,COCC(C)(C)CNC(=O)C1(Cn2cccn2)CC1,2.2738505 |
| Mol2908,CC(=O)c1ccc(-c2ccc(-c3nn[nH]n3)cc2)cc1,1.721967164 |
| Mol2909,Cc1ccn(-c2ccc(NCC3CC3)nn2)n1,2.484716847 |
| Mol2910,O=C(Cn1ncc2ccccc21)Nc1ccc2c(c1)CCO2,2.323165439 |
| Mol2911,CC(C)(CNc1cnn(CCO)c1)c1ccccc1,2.510217826 |
| Mol2912,CCCn1cc(CNC(=O)CN2CCCC2)cn1,2.403156568 |
| Mol2913,CC(C)(C)c1cc(C(=O)CSc2nncn2-c2ccccc2)cc(C(C)(C)C)c1O,1.668087787 |
| Mol2914,CC(C)NC(=O)CN(C)c1ccc(Cl)c(C#N)n1,1.940247458 |
| Mol2915,Fc1cc(CCNc2ncnc3sccc23)c2c(c1)COCO2,3.447841197 |
| Mol2916,c1ccc(-c2nccc(NCc3nnc4n3CCCCC4)n2)cc1,2.6510773 |
| Mol2917,COc1ccc(Nc2nc(Cl)cc(Cl)n2)cc1,2.229205572 |
| Mol2918,COc1ccc(Cc2nnn[nH]2)cc1F,1.027920136 |
| Mol2919,Cc1noc(C)c1N(C)CCn1cncn1,1.584365152 |
| Mol2920,O=C(NO)c1cnc(NC2(c3ccccc3)CC2)nc1,1.241745653 |
| Mol2921,COc1cc2cc(N)c(C3CCNCC3)nc2cc1OC,1.027920136 |
| Mol2922,Cn1nccc1C(=O)C1CCN(C(=O)c2cccs2)CC1,1.988902155 |
| Mol2923,Cc1cc(NC(=O)c2c(F)cccc2Cl)no1,1.415457483 |
| Mol2924,CCOC(=O)c1c(C)n(C)c2ccc(O)cc12,2.220701567 |
| Mol2925,CCOc1ccc2nc3c(cc2c1)CN(CCOC)C(=O)O3,2.333197307 |
| Mol2926,Cc1nc(-c2ccccc2)c(C(=O)Nc2cc(Cl)cc(Cl)c2)s1,2.361487964 |
| Mol2927,Clc1cnc(Oc2ccc3cn[nH]c3c2)nc1,1.43907994 |
| Mol2928,COc1ccccc1N1CCN(CCNC(=O)c2ccc(F)cc2)CC1,2.551348732 |
| Mol2929,COc1ccccc1-n1ncc2c(=O)[nH]c(SC(C)c3ccccc3)nc21,3.070244878 |
| Mol2930,Cc1cc(CN(C)C(=O)C(=O)Nc2ccc(F)c(C)c2)no1,2.43065867 |
| Mol2931,Nc1nc2ccccc2n1C1CCCC1,1.942628031 |
| Mol2932,Cc1nc2ccccc2n1CCNc1ncccn1,2.476375075 |
| Mol2933,O=C(NO)c1cnc(NC2(c3cccc(F)c3)CCCCC2)nc1,2.48505386 |
| Mol2934,Cc1ccc(F)cc1NCc1csc(-c2cnn(C)c2)n1,2.604095313 |
| Mol2935,N#Cc1ccc(OC2CCNCC2)cc1,1.027920136 |
| Mol2936,Cc1nonc1C(=O)Nc1cccnc1N(C)C,2.238031041 |
| Mol2937,O=C(N[C@@H](COc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1)c1cccn(Cc2ccc(F)c(F)c2)c1=O,2.583587381 |
| Mol2938,CCOc1cc(-c2nnc(NC(=O)c3cccc(C(F)(F)F)c3)o2)cc(OCC)c1OCC,1.242429196 |
| Mol2939,CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)N1CC1(O)CCCCCC1,2.768789005 |
| Mol2940,CC(C)c1c(-c2ccccc2)[n+]([O-])c2c([n+]1[O-])CCC2,1.155396774 |
| Mol2941,Cc1nc(CNC(=O)c2ccc(F)c(C)c2)no1,1.027920136 |
| Mol2942,Cc1ccccc1-c1cc(N)n(Cc2ccccc2)n1,2.480241284 |
| Mol2943,NCc1nnc(CCc2ccccc2)o1,1.027920136 |
| Mol2944,COCCCNc1ncc(-c2ccsc2)c(-c2nc(C)c(C)s2)n1,1.991832778 |
| Mol2945,CCCCNc1nc2c(cc1C#N)CCC2,3.364486456 |
| Mol2946,CN(C/C=C/C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1)CCCCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12,1.940924689 |
| Mol2947,O=C(Nc1cccc2ncccc12)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1,2.788388292 |
| Mol2948,COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc4ncccc34)C2)cc1,2.786234503 |
| Mol2949,CCC(C)(C)c1ccc(Oc2ccc(NC3=NN(c4ccccc4)C(=O)C3)cc2)cc1,1.23299611 |
| Mol2950,CS(=O)(=O)N1CCN(Cc2cc3c(cc2O)OCO3)CC1,2.44421192 |
| Mol2951,CCCn1ncc(CN2CCC(c3ncc[nH]3)CC2)c1C,2.69734139 |
| Mol2952,CC(C)Cc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1,1.230448921 |
| Mol2953,Cc1nccc(-c2cccc(NCC(=O)Nc3ccc(F)cc3)c2)n1,2.482729271 |
| Mol2954,CN(C)C(=O)CCNc1ccnc2ccc(Cl)cc12,1.863685612 |
| Mol2955,CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3cc(C)c(C)cc3OC)ccc21,3.969621762 |
| Mol2956,CCN1CCc2c(sc(NC(=O)CS(=O)(=O)c3ccccc3)c2-c2nc3ccccc3s2)C1,2.638016249 |
| Mol2957,COc1cc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)ccc1OC(C)C,3.375901268 |
| Mol2958,NC(=O)c1cnn(Cc2cccc(F)c2)c1,1.027920136 |
| Mol2959,O=c1c2c(Cl)ccc(Cl)c2ncn1Cc1cc(O)ncn1,1.027920136 |
| Mol2960,CC(=O)Nc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1,1.814447379 |
| Mol2961,CCc1cc2c(OCC(=O)N3CCCC3)ncnc2s1,2.775980878 |
| Mol2962,Cc1cc(NC(=O)c2cc(F)cc(F)c2)sn1,1.888404168 |
| Mol2963,Nc1ccccc1-c1nc(C2CC2)no1,2.877153568 |
| Mol2964,Cc1cc(-c2nc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CC[C@@H](O)C3)co2)ccn1,1.027920136 |
| Mol2965,CC(C)c1nccn1Cc1nc(-c2cccs2)no1,3.285472917 |
| Mol2966,CC(=O)NCCOc1ccc2ccccc2n1,1.94992157 |
| Mol2967,Nc1nn(C(=O)Cc2ccc(F)cc2)c2cccc(F)c12,1.798761104 |
| Mol2968,O=C1NC2(CCC2)C(=O)N1Cc1ccon1,1.027920136 |
| Mol2969,Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1,2.320665467 |
| Mol2970,CC(=O)N(CC(N)=O)c1ccc(C)cc1,1.631200171 |
| Mol2971,COc1cc(OC)c2c(=O)cc(CCC(=O)O)oc2c1,1.027920136 |
| Mol2972,c1ccc2nc(OC3CCNCC3)cnc2c1,2.263375651 |
| Mol2973,Nc1ccccc1-c1nc(C2CCCCCC2)no1,3.117681196 |
| Mol2974,NCCc1cnn(Cc2ccccc2)c1,1.027920136 |
| Mol2975,CCCn1cc(CNc2ncccn2)cn1,1.752086879 |
| Mol2976,CSC1(CNc2cncc(Cl)n2)CCOCC1,2.722796752 |
| Mol2977,O=C(NCCN1CCc2ccccc2C1=O)c1ccncc1,2.380509717 |
| Mol2978,O=C(N[C@H](CO)CC1CCCCC1)c1cccc(-c2cnccn2)c1,3.629710646 |
| Mol2979,CC(=O)N1CCCN(Cc2ccc(C(=O)N3CCCC3)cc2)c2ccccc21,2.514669922 |
| Mol2980,Nc1nc(N2CCN(CC3CCCC3)C(=O)C2)cc(-n2cccn2)n1,3.062005174 |
| Mol2981,Cc1nc(-c2ccncc2)cc(N2CCC(CO)CC2)n1,1.567379308 |
| Mol2982,CN(c1nc2ccccc2o1)C1CCN(C2CCOCC2)CC1,2.067584114 |
| Mol2983,Cc1c(C(=O)Nc2cnccn2)cccc1-c1ccccn1,2.695383599 |
| Mol2984,Cc1cc(C)c(S(=O)(=O)Nc2ccccc2)c(C)c1,3.618827244 |
| Mol2985,Cc1cccc(C)c1NCc1noc(C2CC2)n1,3.186112058 |
| Mol2986,CN1CCN(c2ccc3nc(-c4cc(C(C)(C)C)c(OCCCC(=O)NCCCN=[N+]=[N-])c(C(C)(C)C)c4)[nH]c3c2)CC1,2.326528383 |
| Mol2987,Cc1cc(CSCc2ccc(C#N)cc2)no1,3.002342769 |
| Mol2988,CCN1CCC(Oc2ncnc3c2c(C)c(C)n3C2CCCCC2)CC1,2.860599702 |
| Mol2989,COc1ccc2c(c1)CCCN(C(=O)NCCc1ccccn1)C2,3.144810126 |
| Mol2990,CN1C(=O)c2ccc(C(=O)N(CC3CCCCC3)C3CC3)cc2C1=O,3.414878461 |
| Mol2991,CCOc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)cc1,2.661793762 |
| Mol2992,COc1c(C)cnc(Cn2cc(C#CCC(C)(C)O)c3c(Cl)nc(N)nc32)c1C,2.159945156 |
| Mol2993,CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1,2.561770861 |
| Mol2994,COc1cccc(CN2CCc3nc(-c4cnc(C)cn4)nc(O)c3C2)c1,1.582256592 |
| Mol2995,O=C(NCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)c1ccc(F)cc1,2.571648283 |
| Mol2996,O=C(Nc1cnn(-c2ncccn2)c1)C1CCCCC1,1.863905495 |
| Mol2997,O=C(c1ccc(-c2ccncc2)cc1)N1CCC(F)(F)CC1,1.635664665 |
| Mol2998,Cc1cc(-n2nc(C)cc2N)nc(C)n1,2.096068404 |
| Mol2999,Cc1cc(-c2cccc3ccnn23)nc(N2CCCC2)n1,3.203646343 |
| Mol3000,COc1ncccc1CNc1c(C#N)cnc2c(C)cc(F)cc12,3.095621898 |
| Mol3001,N=C(N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(=O)O)cc1,1.027920136 |
| Mol3002,O=C(NC[C@]1(O)CCN(Cc2cscn2)C[C@H]1O)c1c[nH]cn1,1.629083246 |
| Mol3003,N#CCNC(=O)c1ccc(C#N)c(Cl)c1,1.027920136 |
| Mol3004,Cc1ccnc2[nH]c(CSCc3ccccc3)nc12,2.810902938 |
| Mol3005,CCCN(C(=O)c1ccccc1N)C(C)C,2.533638624 |
| Mol3006,CC(C)(C)OC(=O)N1CCCN1C(=O)c1cc2cc(Cl)ccc2[nH]1,2.836996561 |
| Mol3007,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F,1.346613012 |
| Mol3008,COc1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C(=O)C2,2.566113271 |
| Mol3009,CC(C)NC(=O)CN(C#N)c1ccccc1,1.027920136 |
| Mol3010,Cc1cc(CO)nc(N2CCCCC2)n1,2.053754341 |
| Mol3011,N#CCCn1ncnc1-c1cccc(C#N)c1,1.027920136 |
| Mol3012,O=c1[nH]c2ccccc2n1C1CCN(Cc2nc(-c3cccs3)no2)CC1,2.368668004 |
| Mol3013,O=C(COCc1nc2ccccc2s1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,3.010513658 |
| Mol3014,O=C(CCn1ccc2ccccc21)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,3.736240288 |
| Mol3015,CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1,2.229894203 |
| Mol3016,COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC,2.084995734 |
| Mol3017,CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1,1.504959933 |
| Mol3018,Cc1cccc(CNC(=O)Cn2c(=O)oc3cccnc32)c1,1.027920136 |
| Mol3019,Cc1ncsc1CCN1C(=O)NC2(CCCC2)C1=O,2.235679919 |
| Mol3020,Cc1c(C(=O)NCCc2cc3nc(-c4ccco4)ccn3n2)cnn1C,2.237995893 |
| Mol3021,CN(C)Cc1ccnc(NC(=O)c2ccsc2)c1,2.598863795 |
| Mol3022,N#Cc1nc(-c2ccccc2)oc1NCc1ccc2c(c1)OCO2,2.849160111 |
| Mol3023,Clc1ccc(CSc2nc(-c3ccccc3)cs2)cn1,3.354011769 |
| Mol3024,Cc1nn(C)c(C)c1CNc1ccc(N2CCN(C)CC2)nc1,1.027920136 |
| Mol3025,CN1N=C(SCc2ccc(Cl)cc2Cl)Sc2c1cnn(C)c2=O,3.276576911 |
| Mol3026,Cc1cc(OCc2ccnc(Cl)c2)nnc1C,1.712464498 |
| Mol3027,Fc1cc(-c2noc(C3CCN(C4CC4)CC3)n2)cc(F)c1F,2.771893804 |
| Mol3028,Fc1cccc2c1CN(Cc1c[nH]nc1-c1cccnc1)CC2,3.094119498 |
| Mol3029,Cc1ccncc1NC(=O)Cc1ccc(F)cc1,1.309012349 |
| Mol3030,O=C1CCC(=O)N1Cc1nc(Cc2ccccc2)cs1,2.16201447 |
| Mol3031,COc1cc(C)cc(OC)c1-c1ccc(OCC(N)=O)cc1,2.403695195 |
| Mol3032,Cc1ccc(C#N)c(NC(=O)CCc2ccccc2)n1,2.379923426 |
| Mol3033,O=C(NCCc1ccc(F)cc1)n1ccnc1,1.980276141 |
| Mol3034,Cc1noc(C)c1COc1ccc2ncccc2c1,2.528250614 |
| Mol3035,Cc1ccc(C(=O)N(C)Cc2ccccn2)c(O)c1,2.680768685 |
| Mol3036,N#Cc1cccc(NCc2ccc(-c3cccnc3)o2)c1,2.619600407 |
| Mol3037,CNC(=O)Cc1noc(-c2ccc3ncccc3c2)n1,1.337539124 |
| Mol3038,Cc1ccc(-c2cnc3ccccc3n2)cc1N,2.307496038 |
| Mol3039,O=c1oc2cccnc2n1Cc1cnn(-c2ccccc2)n1,1.803805231 |
| Mol3040,Cc1cccc2cnc(C3CCN(C(=O)CCc4ccno4)CC3)cc12,2.862803776 |
| Mol3041,COc1ccc(CN2CCC(c3cc[nH]n3)CC2)cn1,2.011096563 |
| Mol3042,CN(C)c1ccnc(NC(=O)c2cnsn2)c1,2.446835293 |
| Mol3043,Oc1cc(F)ccc1-c1nc(-c2ccncc2)no1,2.524105197 |
| Mol3044,Nc1c(C(=O)NCC2CCCO2)sc(=S)n1-c1ccc(Cl)cc1,1.965121856 |
| Mol3045,Cn1c2cc(S(C)=O)sc2c2cnn(Cc3cccc(N)c3)c(=O)c21,1.695507944 |
| Mol3046,O=C(C1CCCCC1)N1CCC[C@H]1Cn1nnc(-c2cccs2)n1,3.709121835 |
| Mol3047,Cn1ccnc1C1CCN(C(=O)COCc2nc3cc(F)ccc3[nH]2)CC1,1.788860992 |
| Mol3048,COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](NCCCCCCN3C(=O)C=CC3=O)CC[C@@H]12,1.587171971 |
| Mol3049,CC(C)(C)c1cc(C(=O)CSc2nnnn2-c2ccccc2)cc(C(C)(C)C)c1O,1.746517539 |
| Mol3050,N=c1ccn2c(n1)O[C@@H]1[C@@H](O)[C@@H](CO)O[C@H]12,1.027920136 |
| Mol3051,O=C(CNC(=O)c1ccccc1Cl)Nc1cccc2c1CCCC2,3.26519625 |
| Mol3052,c1ccc(C2(CNc3nc4ccccc4o3)CCOCC2)cc1,3.530841697 |
| Mol3053,Cc1cccc(NC(=O)c2cncn2-c2ccccc2)n1,2.217476048 |
| Mol3054,C[C@@H](CN1CCC(n2c(=O)[nH]c3cc(Br)ccc32)CC1)NC(=O)[C@@H]1C[C@H]1c1ccccc1,2.759221236 |
|
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