smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([C@H](C)NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1C ZINC000330115448 970403315 /nfs/dbraw/zinc/40/33/15/970403315.db2.gz FQBGVYWCCFKVBQ-HKUYNNGSSA-N 1 1 372.513 2.517 10 30 FFEEMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106174583 250247859 /nfs/dbraw/zinc/24/78/59/250247859.db2.gz XCZJEVUJBXMYNY-KGLIPLIRSA-N 1 1 372.860 2.542 10 30 FFEEMO Cc1cc(N2CC[C@H]([NH+]3CCOCC3)C2)n2c3ccccc3nc2c1C#N ZINC000301471486 258051252 /nfs/dbraw/zinc/05/12/52/258051252.db2.gz TWTOITXNMSFPOB-INIZCTEOSA-N 1 1 361.449 2.579 10 30 FFEEMO Cc1cc(C)c2ncc(C#N)c(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)c2c1 ZINC000301535099 258054161 /nfs/dbraw/zinc/05/41/61/258054161.db2.gz AGMDYODLVQOPDE-LPHOPBHVSA-N 1 1 350.466 2.880 10 30 FFEEMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C[C@@H]3CCCCC(=O)N3)CC2)cc1 ZINC000329852064 258148716 /nfs/dbraw/zinc/14/87/16/258148716.db2.gz UJGIIEURMXAWGG-IBGZPJMESA-N 1 1 368.481 2.882 10 30 FFEEMO N#Cc1c(NC(=O)C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)sc2c1CCCCC2 ZINC000333197999 258255436 /nfs/dbraw/zinc/25/54/36/258255436.db2.gz WTAXPYNLSBQOOB-ZNMIVQPWSA-N 1 1 373.522 2.920 10 30 FFEEMO N#Cc1c(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)sc2c1CCCCC2 ZINC000333197999 258255437 /nfs/dbraw/zinc/25/54/37/258255437.db2.gz WTAXPYNLSBQOOB-ZNMIVQPWSA-N 1 1 373.522 2.920 10 30 FFEEMO COc1cc2c(Cl)c(C#N)cnc2cc1OCCC[NH+]1CCOCC1 ZINC000089157277 508390090 /nfs/dbraw/zinc/39/00/90/508390090.db2.gz PKRCOKRBEJMDCG-UHFFFAOYSA-N 1 1 361.829 2.870 10 30 FFEEMO CCOCC[N@H+]1CCN(C(=O)Nc2ccccc2O[C@@H](C)C#N)C[C@@H]1CC ZINC000133498458 508407851 /nfs/dbraw/zinc/40/78/51/508407851.db2.gz ACRJYBBJBXBHSI-IRXDYDNUSA-N 1 1 374.485 2.942 10 30 FFEEMO COc1ccc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)cc1OCCCC#N ZINC000128467885 508596752 /nfs/dbraw/zinc/59/67/52/508596752.db2.gz QGGHITUVNUUOOC-SFHVURJKSA-N 1 1 369.469 2.881 10 30 FFEEMO CCc1[nH+]ccn1[C@H]1CCCN(S(=O)(=O)c2cc(C#N)ccc2C)C1 ZINC000128477721 508598527 /nfs/dbraw/zinc/59/85/27/508598527.db2.gz FQIMCRFYYVNNOS-INIZCTEOSA-N 1 1 358.467 2.651 10 30 FFEEMO C=CCOc1ccccc1CNC(=O)N1CC[N@@H+](CCOC)[C@@H](CC)C1 ZINC000117495623 508602978 /nfs/dbraw/zinc/60/29/78/508602978.db2.gz KAZYMZHTYZGCQV-SFHVURJKSA-N 1 1 361.486 2.504 10 30 FFEEMO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)o1 ZINC000182576360 509312564 /nfs/dbraw/zinc/31/25/64/509312564.db2.gz ZGZACWGYZZUJTK-CVEARBPZSA-N 1 1 372.494 2.709 10 30 FFEEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCCSCc2ccccc2C#N)C1 ZINC000176436491 509509563 /nfs/dbraw/zinc/50/95/63/509509563.db2.gz DFEBSKIEINQPIG-QAPCUYQASA-N 1 1 360.527 2.819 10 30 FFEEMO CN(CCC#N)C(=O)CC[N@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000245536472 509989473 /nfs/dbraw/zinc/98/94/73/509989473.db2.gz LHMGUEHMYZHFMC-CVEARBPZSA-N 1 1 369.387 2.575 10 30 FFEEMO C#CCN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C1CCCC1 ZINC000246532850 510542112 /nfs/dbraw/zinc/54/21/12/510542112.db2.gz UXGFXAUNDJORHS-FXAWDEMLSA-N 1 1 354.498 2.879 10 30 FFEEMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC[N@H+](C2CC2)CC1 ZINC000172543696 510783463 /nfs/dbraw/zinc/78/34/63/510783463.db2.gz MHBSNTVPVRBBKX-QGZVFWFLSA-N 1 1 370.497 2.500 10 30 FFEEMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247556001 510865508 /nfs/dbraw/zinc/86/55/08/510865508.db2.gz UADBYYYUSACDEP-IAGOWNOFSA-N 1 1 351.454 2.545 10 30 FFEEMO C[C@H](NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1ccccn1 ZINC000330340759 510969923 /nfs/dbraw/zinc/96/99/23/510969923.db2.gz YJPHEXKKOUWCNK-TXPKVOOTSA-N 1 1 370.501 2.805 10 30 FFEEMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2sccc2C#N)[C@@H]1c1cnn(C)c1 ZINC000328635118 511901247 /nfs/dbraw/zinc/90/12/47/511901247.db2.gz UMKSBMWFNUXLFX-DOTOQJQBSA-N 1 1 371.510 2.898 10 30 FFEEMO C[N@H+](CC(=O)Nc1nncs1)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328634980 511901539 /nfs/dbraw/zinc/90/15/39/511901539.db2.gz NAAOZTMWJMEPFQ-VIFPVBQESA-N 1 1 374.392 2.536 10 30 FFEEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329716839 512090471 /nfs/dbraw/zinc/09/04/71/512090471.db2.gz WYPUGMVQNRIFHF-JYYAWHABSA-N 1 1 350.507 2.993 10 30 FFEEMO Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CCC[C@H](NC(=O)C(C)C)C1 ZINC000329852768 512104232 /nfs/dbraw/zinc/10/42/32/512104232.db2.gz RRSCVJJGKPFXTG-INIZCTEOSA-N 1 1 356.470 2.622 10 30 FFEEMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000330180137 959232984 /nfs/dbraw/zinc/23/29/84/959232984.db2.gz NDNKODMSHHPKDB-SFHLNBCPSA-N 1 1 357.498 2.802 10 30 FFEEMO CCC1CCC(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000329228038 967567226 /nfs/dbraw/zinc/56/72/26/967567226.db2.gz ILQKVXOGXQGPGR-ABHNRTSZSA-N 1 1 365.518 2.625 10 30 FFEEMO N#Cc1ccccc1OC1CCC(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000329247547 967577914 /nfs/dbraw/zinc/57/79/14/967577914.db2.gz RWBHFWAGPONAGN-XBMUEBEBSA-N 1 1 368.481 2.942 10 30 FFEEMO CC(C)C[NH+]1CCN(C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329283717 967615793 /nfs/dbraw/zinc/61/57/93/967615793.db2.gz OCSAELCJDOZNDI-MRXNPFEDSA-N 1 1 361.534 2.683 10 30 FFEEMO CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCC([NH+]3CCCCC3)CC1)CC2 ZINC000329401548 967679634 /nfs/dbraw/zinc/67/96/34/967679634.db2.gz BKNQCFJEJDLITC-MRXNPFEDSA-N 1 1 374.533 2.581 10 30 FFEEMO Cc1nc(CN2CCC[N@@H+](Cc3ccccc3C(C)(C)C#N)CC2)no1 ZINC000135198786 981261678 /nfs/dbraw/zinc/26/16/78/981261678.db2.gz DCFOBCOHIHFLRE-UHFFFAOYSA-N 1 1 353.470 2.887 10 30 FFEEMO Cc1nc(C[C@H]2CCC[N@@H+](CCC(=O)Nc3sccc3C#N)C2)no1 ZINC000103150217 250135718 /nfs/dbraw/zinc/13/57/18/250135718.db2.gz XHOJEOKWSAYICK-CYBMUJFWSA-N 1 1 359.455 2.595 10 30 FFEEMO N#Cc1ccc(C[N@H+]2CCCN(c3nccn4c3nnc4C3CC3)CC2)cc1 ZINC000302225078 258096571 /nfs/dbraw/zinc/09/65/71/258096571.db2.gz VBLGOMUVXFXFJK-UHFFFAOYSA-N 1 1 373.464 2.586 10 30 FFEEMO Cc1cc(N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)n2c3ccccc3nc2c1C#N ZINC000328955290 258125133 /nfs/dbraw/zinc/12/51/33/258125133.db2.gz NFRUUUUFMDQRNZ-RTBURBONSA-N 1 1 361.449 2.577 10 30 FFEEMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1C[C@@H]3CC[C@@H](O)C[C@@H]3C1)CCC2 ZINC000333094945 258249452 /nfs/dbraw/zinc/24/94/52/258249452.db2.gz CZAZCDXZNVDXNP-BFHYXJOUSA-N 1 1 359.495 2.530 10 30 FFEEMO N#Cc1c(NC(=O)C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)sc2c1CCCCC2 ZINC000333197996 258255585 /nfs/dbraw/zinc/25/55/85/258255585.db2.gz WTAXPYNLSBQOOB-RRFJBIMHSA-N 1 1 373.522 2.920 10 30 FFEEMO N#Cc1c(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)sc2c1CCCCC2 ZINC000333197996 258255586 /nfs/dbraw/zinc/25/55/86/258255586.db2.gz WTAXPYNLSBQOOB-RRFJBIMHSA-N 1 1 373.522 2.920 10 30 FFEEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000106211416 508397915 /nfs/dbraw/zinc/39/79/15/508397915.db2.gz MDBXIKLRIFKUMR-KRWDZBQOSA-N 1 1 357.502 2.859 10 30 FFEEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000106211416 508397916 /nfs/dbraw/zinc/39/79/16/508397916.db2.gz MDBXIKLRIFKUMR-KRWDZBQOSA-N 1 1 357.502 2.859 10 30 FFEEMO CCn1cc(C2CC[NH+]([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)cn1 ZINC000195500345 509194072 /nfs/dbraw/zinc/19/40/72/509194072.db2.gz KJTVTSBFPPAKSB-OAHLLOKOSA-N 1 1 351.454 2.981 10 30 FFEEMO Cc1nn(C)c(C)c1C[NH+]1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000177135007 509893609 /nfs/dbraw/zinc/89/36/09/509893609.db2.gz GBUDDPNDIFDAHS-UHFFFAOYSA-N 1 1 356.901 2.860 10 30 FFEEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CSCc1ccc(C#N)cc1 ZINC000177194653 509930651 /nfs/dbraw/zinc/93/06/51/509930651.db2.gz FIEJNHHQGSSZBO-SFHVURJKSA-N 1 1 354.479 2.988 10 30 FFEEMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000245693647 510090559 /nfs/dbraw/zinc/09/05/59/510090559.db2.gz BXJUQEPJNGJBEJ-WMZOPIPTSA-N 1 1 351.454 2.868 10 30 FFEEMO N#Cc1ccccc1Cn1cccc1C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000187201019 510119985 /nfs/dbraw/zinc/11/99/85/510119985.db2.gz IOQUQQIJAADKJJ-UHFFFAOYSA-N 1 1 372.476 2.910 10 30 FFEEMO Cc1nc(C[C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)no1 ZINC000171408571 510141913 /nfs/dbraw/zinc/14/19/13/510141913.db2.gz VOMPDALAZKKERM-XJKSGUPXSA-N 1 1 353.426 2.531 10 30 FFEEMO Cc1nc(C[C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)no1 ZINC000171408571 510141919 /nfs/dbraw/zinc/14/19/19/510141919.db2.gz VOMPDALAZKKERM-XJKSGUPXSA-N 1 1 353.426 2.531 10 30 FFEEMO CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000246248584 510387920 /nfs/dbraw/zinc/38/79/20/510387920.db2.gz KWSSAZIOGXICHK-HUUCEWRRSA-N 1 1 374.510 2.620 10 30 FFEEMO C=C(C)COc1cccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C2)c1 ZINC000175367997 510613808 /nfs/dbraw/zinc/61/38/08/510613808.db2.gz ITESGKRUVAINJG-AEFFLSMTSA-N 1 1 361.486 2.950 10 30 FFEEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCCSCc2ccccc2C#N)C1 ZINC000246807054 510684684 /nfs/dbraw/zinc/68/46/84/510684684.db2.gz DFEBSKIEINQPIG-CRAIPNDOSA-N 1 1 360.527 2.819 10 30 FFEEMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCS[C@@H]3COCC[C@H]32)cc1C ZINC000247292814 510855779 /nfs/dbraw/zinc/85/57/79/510855779.db2.gz UFZSBWVJOJIJJD-RTBURBONSA-N 1 1 373.522 2.756 10 30 FFEEMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCS[C@@H]3COCC[C@H]32)cc1C ZINC000247292814 510855780 /nfs/dbraw/zinc/85/57/80/510855780.db2.gz UFZSBWVJOJIJJD-RTBURBONSA-N 1 1 373.522 2.756 10 30 FFEEMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328688311 511914769 /nfs/dbraw/zinc/91/47/69/511914769.db2.gz HOKLXUXQCHLBSK-CYBMUJFWSA-N 1 1 356.430 2.569 10 30 FFEEMO C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000329105015 511984671 /nfs/dbraw/zinc/98/46/71/511984671.db2.gz GWWJQDNWGPMXID-NVXWUHKLSA-N 1 1 359.470 2.821 10 30 FFEEMO C[C@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000329546351 512068026 /nfs/dbraw/zinc/06/80/26/512068026.db2.gz BVIIYKMOIPNKSN-JCHJZTRSSA-N 1 1 370.497 2.862 10 30 FFEEMO CN1C(=O)CO[C@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H]1c1ccccc1 ZINC000329554782 512068422 /nfs/dbraw/zinc/06/84/22/512068422.db2.gz GVPFZJMTNFTLOE-BVKALTAXSA-N 1 1 371.481 2.557 10 30 FFEEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC(C)(C)c1ccc2c(c1)OCO2 ZINC000329577369 512071731 /nfs/dbraw/zinc/07/17/31/512071731.db2.gz VZKFKZKOEVYTNI-ZBFHGGJFSA-N 1 1 359.470 2.775 10 30 FFEEMO C#CCOC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1cccc(OC)c1 ZINC000036098561 518302496 /nfs/dbraw/zinc/30/24/96/518302496.db2.gz NLICGWJAVHFDPU-FQEVSTJZSA-N 1 1 357.425 2.847 10 30 FFEEMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)n1 ZINC000106179322 250248396 /nfs/dbraw/zinc/24/83/96/250248396.db2.gz JWSMUYHXUUVKEY-WMLDXEAASA-N 1 1 366.469 2.506 10 30 FFEEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccccc2C#N)C1 ZINC000109677362 507979962 /nfs/dbraw/zinc/97/99/62/507979962.db2.gz CSTOARHTLFSMLT-DOTOQJQBSA-N 1 1 352.438 2.948 10 30 FFEEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000113267260 508256091 /nfs/dbraw/zinc/25/60/91/508256091.db2.gz ROQXZASUVAHBSE-DLBZAZTESA-N 1 1 350.466 2.906 10 30 FFEEMO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000106184226 508397406 /nfs/dbraw/zinc/39/74/06/508397406.db2.gz FDYRTSRPRKATIZ-UHFFFAOYSA-N 1 1 369.494 2.849 10 30 FFEEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCc1ccc(C#N)cc1 ZINC000116247859 508491147 /nfs/dbraw/zinc/49/11/47/508491147.db2.gz IRODHWZFZDWGGG-UWJYYQICSA-N 1 1 362.477 2.913 10 30 FFEEMO Cc1noc([C@@H](C)N2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)n1 ZINC000121314143 509165649 /nfs/dbraw/zinc/16/56/49/509165649.db2.gz CRJKYSACZJPHLO-MRXNPFEDSA-N 1 1 368.485 2.607 10 30 FFEEMO C=CCNC(=O)c1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248003095 509214018 /nfs/dbraw/zinc/21/40/18/509214018.db2.gz KPDLJVZPGDIMCR-FUHWJXTLSA-N 1 1 356.470 2.550 10 30 FFEEMO N#Cc1c(NC(=O)CN2CC[N@H+]3CCCC[C@@H]3C2)sc2c1CCCCC2 ZINC000172801715 509243316 /nfs/dbraw/zinc/24/33/16/509243316.db2.gz AAOWPGMLDGYNIM-OAHLLOKOSA-N 1 1 372.538 2.997 10 30 FFEEMO C=C(C)[C@@H](NC(=O)N1CC[NH+](C[C@@H](O)CC)CC1)c1ccc(F)c(F)c1 ZINC000185848084 509383590 /nfs/dbraw/zinc/38/35/90/509383590.db2.gz PTFPFRQUSKWMAQ-MAUKXSAKSA-N 1 1 367.440 2.680 10 30 FFEEMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)c(F)c1 ZINC000170943302 509861872 /nfs/dbraw/zinc/86/18/72/509861872.db2.gz ZHGIGJSSESFCFP-UHFFFAOYSA-N 1 1 355.417 2.666 10 30 FFEEMO N#Cc1ccc(C[N@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)c(F)c1 ZINC000170943302 509861879 /nfs/dbraw/zinc/86/18/79/509861879.db2.gz ZHGIGJSSESFCFP-UHFFFAOYSA-N 1 1 355.417 2.666 10 30 FFEEMO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000177182021 509923026 /nfs/dbraw/zinc/92/30/26/509923026.db2.gz TXGMYVXGAXKHHI-GOSISDBHSA-N 1 1 368.485 2.542 10 30 FFEEMO C=CCCS(=O)(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245704275 510096252 /nfs/dbraw/zinc/09/62/52/510096252.db2.gz NWCWKJVFXJNBOW-XJKSGUPXSA-N 1 1 360.882 2.967 10 30 FFEEMO C=CCCS(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245704275 510096260 /nfs/dbraw/zinc/09/62/60/510096260.db2.gz NWCWKJVFXJNBOW-XJKSGUPXSA-N 1 1 360.882 2.967 10 30 FFEEMO Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000245944977 510222106 /nfs/dbraw/zinc/22/21/06/510222106.db2.gz NLKMKHXWCQIRFA-DDUYZKFLSA-N 1 1 371.529 2.975 10 30 FFEEMO CC[C@@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)CC[N@H+]1CCOC ZINC000174737411 510281077 /nfs/dbraw/zinc/28/10/77/510281077.db2.gz UQJRLRBJUREETP-OAHLLOKOSA-N 1 1 360.408 2.932 10 30 FFEEMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000246288972 510407286 /nfs/dbraw/zinc/40/72/86/510407286.db2.gz AWTMXUKTBVGDCL-HZPDHXFCSA-N 1 1 359.470 2.501 10 30 FFEEMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000246288972 510407290 /nfs/dbraw/zinc/40/72/90/510407290.db2.gz AWTMXUKTBVGDCL-HZPDHXFCSA-N 1 1 359.470 2.501 10 30 FFEEMO N#Cc1cccc(NC(=O)CC[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000188103277 510596226 /nfs/dbraw/zinc/59/62/26/510596226.db2.gz AAPILXWLPIPORS-WMZOPIPTSA-N 1 1 355.463 2.656 10 30 FFEEMO CC[N@H+]1CCC[C@@H]1CN(C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000175339507 510597221 /nfs/dbraw/zinc/59/72/21/510597221.db2.gz HPHBYXDHVIBJPB-LJQANCHMSA-N 1 1 356.514 2.966 10 30 FFEEMO Cc1ccc(N(CCC#N)C(=O)CN2CCC[N@H+](C3CC3)CC2)cc1C ZINC000172347279 510682337 /nfs/dbraw/zinc/68/23/37/510682337.db2.gz HGAATHXDRBVOLA-UHFFFAOYSA-N 1 1 354.498 2.720 10 30 FFEEMO CCc1csc([C@H]2CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C2)n1 ZINC000195384123 510806936 /nfs/dbraw/zinc/80/69/36/510806936.db2.gz NMYMWYJTJVCOHL-HNNXBMFYSA-N 1 1 359.499 2.541 10 30 FFEEMO CCc1csc([C@H]2CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)n1 ZINC000195384123 510806940 /nfs/dbraw/zinc/80/69/40/510806940.db2.gz NMYMWYJTJVCOHL-HNNXBMFYSA-N 1 1 359.499 2.541 10 30 FFEEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000247469876 510861950 /nfs/dbraw/zinc/86/19/50/510861950.db2.gz ROQXZASUVAHBSE-SJORKVTESA-N 1 1 350.466 2.906 10 30 FFEEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000247544502 510865071 /nfs/dbraw/zinc/86/50/71/510865071.db2.gz YSBFFIIDPFDHEW-CABCVRRESA-N 1 1 372.538 2.996 10 30 FFEEMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247555993 510865522 /nfs/dbraw/zinc/86/55/22/510865522.db2.gz UADBYYYUSACDEP-DLBZAZTESA-N 1 1 351.454 2.545 10 30 FFEEMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247868196 510871802 /nfs/dbraw/zinc/87/18/02/510871802.db2.gz XCZJEVUJBXMYNY-UONOGXRCSA-N 1 1 372.860 2.542 10 30 FFEEMO Cc1cn2c(n1)[C@H](CNC(=O)N1CC[C@H]3CC[C@@H](C1)[N@H+]3C(C)C)CCC2 ZINC000328718868 511920616 /nfs/dbraw/zinc/92/06/16/511920616.db2.gz QAFLDGBHVGJPED-KSZLIROESA-N 1 1 359.518 2.930 10 30 FFEEMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000328761777 511927504 /nfs/dbraw/zinc/92/75/04/511927504.db2.gz YOKCGIPFSURJJL-CVEARBPZSA-N 1 1 350.507 2.900 10 30 FFEEMO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2c(C)nn(C)c2C)C1 ZINC000329019090 511967597 /nfs/dbraw/zinc/96/75/97/511967597.db2.gz RUFYPZRWNLRKBE-GJZGRUSLSA-N 1 1 359.478 2.504 10 30 FFEEMO CCn1cnnc1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2c(C)nn(C)c2C)C1 ZINC000329019090 511967601 /nfs/dbraw/zinc/96/76/01/511967601.db2.gz RUFYPZRWNLRKBE-GJZGRUSLSA-N 1 1 359.478 2.504 10 30 FFEEMO C[NH+]1CCN(C(=O)CCNC(=O)c2cccc(OC3CCCCC3)c2)CC1 ZINC000329661819 967925153 /nfs/dbraw/zinc/92/51/53/967925153.db2.gz IVCIZEXKBDQNLI-UHFFFAOYSA-N 1 1 373.497 2.867 10 30 FFEEMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1C[C@@H]3CC[C@H](O)C[C@@H]3C1)CCC2 ZINC000333094948 258249474 /nfs/dbraw/zinc/24/94/74/258249474.db2.gz CZAZCDXZNVDXNP-MJBXVCDLSA-N 1 1 359.495 2.530 10 30 FFEEMO C=CCC[C@H](C[N@@H+](C)Cc1cccnc1)Oc1nc(OC)cc(OC)n1 ZINC000072428286 507788899 /nfs/dbraw/zinc/78/88/99/507788899.db2.gz SSPVXPHNGJZIKV-MRXNPFEDSA-N 1 1 358.442 2.734 10 30 FFEEMO CC[N@H+]1CCC[C@@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000052521807 507812030 /nfs/dbraw/zinc/81/20/30/507812030.db2.gz OLUWPONAVRJNGL-MRXNPFEDSA-N 1 1 353.388 2.840 10 30 FFEEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H](C)Oc2ccccc2C#N)C1 ZINC000109677365 507979792 /nfs/dbraw/zinc/97/97/92/507979792.db2.gz CSTOARHTLFSMLT-RDJZCZTQSA-N 1 1 352.438 2.948 10 30 FFEEMO C[C@@H]1CC(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000093909774 508160175 /nfs/dbraw/zinc/16/01/75/508160175.db2.gz YPZMBVSVAHRJBJ-IAGOWNOFSA-N 1 1 355.482 2.796 10 30 FFEEMO C[C@@H]1CC(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000093909774 508160178 /nfs/dbraw/zinc/16/01/78/508160178.db2.gz YPZMBVSVAHRJBJ-IAGOWNOFSA-N 1 1 355.482 2.796 10 30 FFEEMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000157979840 508641064 /nfs/dbraw/zinc/64/10/64/508641064.db2.gz XOKAIEMNVILMIT-GOSISDBHSA-N 1 1 369.469 2.566 10 30 FFEEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Cc2cccc(OCC#N)c2)C1 ZINC000120300799 508967622 /nfs/dbraw/zinc/96/76/22/508967622.db2.gz MZGOTXNEYUMPKX-QGZVFWFLSA-N 1 1 352.438 2.754 10 30 FFEEMO C=CCc1cc(C[N@H+]2CCCN(Cc3cnn(C)c3)CC2)cc(OC)c1O ZINC000121559044 509178517 /nfs/dbraw/zinc/17/85/17/509178517.db2.gz UEMZBSKADCJZGT-UHFFFAOYSA-N 1 1 370.497 2.571 10 30 FFEEMO C=CCc1cc(CN2CCC[N@H+](Cc3cnn(C)c3)CC2)cc(OC)c1O ZINC000121559044 509178518 /nfs/dbraw/zinc/17/85/18/509178518.db2.gz UEMZBSKADCJZGT-UHFFFAOYSA-N 1 1 370.497 2.571 10 30 FFEEMO C=CCc1cc(CN2CCC[N@@H+](Cc3cnn(C)c3)CC2)cc(OC)c1O ZINC000121559044 509178519 /nfs/dbraw/zinc/17/85/19/509178519.db2.gz UEMZBSKADCJZGT-UHFFFAOYSA-N 1 1 370.497 2.571 10 30 FFEEMO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)o1 ZINC000182576401 509311681 /nfs/dbraw/zinc/31/16/81/509311681.db2.gz ZGZACWGYZZUJTK-HZPDHXFCSA-N 1 1 372.494 2.709 10 30 FFEEMO Cc1ccc(N2CCC[N@@H+](CCCOc3ccc(C#N)cc3)CC2)nn1 ZINC000170939312 509858349 /nfs/dbraw/zinc/85/83/49/509858349.db2.gz JEHCUWQYKYNCAZ-UHFFFAOYSA-N 1 1 351.454 2.638 10 30 FFEEMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245461090 509949933 /nfs/dbraw/zinc/94/99/33/509949933.db2.gz WDVFUOJYRBETNT-LPHOPBHVSA-N 1 1 351.454 2.892 10 30 FFEEMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245461090 509949942 /nfs/dbraw/zinc/94/99/42/509949942.db2.gz WDVFUOJYRBETNT-LPHOPBHVSA-N 1 1 351.454 2.892 10 30 FFEEMO CCc1nnc(N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c(C#N)c1CC ZINC000190450064 510137428 /nfs/dbraw/zinc/13/74/28/510137428.db2.gz USIIRRNLOJKQDQ-KRWDZBQOSA-N 1 1 364.497 2.826 10 30 FFEEMO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@H](c4nccs4)C3)C2=O)cc1 ZINC000171637476 510266280 /nfs/dbraw/zinc/26/62/80/510266280.db2.gz QVWWTOJULDETMW-RDJZCZTQSA-N 1 1 352.463 3.000 10 30 FFEEMO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@H](c4nccs4)C3)C2=O)cc1 ZINC000171637476 510266285 /nfs/dbraw/zinc/26/62/85/510266285.db2.gz QVWWTOJULDETMW-RDJZCZTQSA-N 1 1 352.463 3.000 10 30 FFEEMO C=CCSCCNC(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190702681 510294327 /nfs/dbraw/zinc/29/43/27/510294327.db2.gz YKWOXVQYHIOPSB-OAHLLOKOSA-N 1 1 368.572 2.834 10 30 FFEEMO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@H](n3cncn3)C2)c2ccccc21 ZINC000171702816 510316868 /nfs/dbraw/zinc/31/68/68/510316868.db2.gz CMTRXIYTHWSODT-INIZCTEOSA-N 1 1 362.437 2.666 10 30 FFEEMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@H](n3cncn3)C2)c2ccccc21 ZINC000171702816 510316873 /nfs/dbraw/zinc/31/68/73/510316873.db2.gz CMTRXIYTHWSODT-INIZCTEOSA-N 1 1 362.437 2.666 10 30 FFEEMO CC[C@@H]1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC[N@H+]1C[C@@H](C)O ZINC000182030382 510719373 /nfs/dbraw/zinc/71/93/73/510719373.db2.gz OFBIBGVRLDOPAZ-QRQLOZEOSA-N 1 1 358.486 2.518 10 30 FFEEMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC[N@H+](C2CC2)CC1 ZINC000172543694 510783253 /nfs/dbraw/zinc/78/32/53/510783253.db2.gz MHBSNTVPVRBBKX-KRWDZBQOSA-N 1 1 370.497 2.500 10 30 FFEEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000247309806 510856304 /nfs/dbraw/zinc/85/63/04/510856304.db2.gz LVTJIEAKUXJCJM-OXQOHEQNSA-N 1 1 370.497 2.840 10 30 FFEEMO C[C@@H](NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1cccnc1 ZINC000330282410 510957285 /nfs/dbraw/zinc/95/72/85/510957285.db2.gz AOTCMCDVGSNNKD-HHXXYDBFSA-N 1 1 370.501 2.805 10 30 FFEEMO C[C@]1(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)CCCNC1=O ZINC000330287431 510958041 /nfs/dbraw/zinc/95/80/41/510958041.db2.gz BELWWWGNQZYZIU-XLIONFOSSA-N 1 1 359.470 2.856 10 30 FFEEMO Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000311050460 511774583 /nfs/dbraw/zinc/77/45/83/511774583.db2.gz USDIQQZAVPQNHL-INIZCTEOSA-N 1 1 357.479 2.666 10 30 FFEEMO CC(=O)N(Cc1cncnc1)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000328631206 511900841 /nfs/dbraw/zinc/90/08/41/511900841.db2.gz KGEKTCZNSIBEFI-QGZVFWFLSA-N 1 1 369.494 2.813 10 30 FFEEMO CC(C)(C)c1cn2c(n1)CC[C@@H](NC([O-])=[NH+]C1CC[NH+](C3CC3)CC1)C2 ZINC000329251144 512013890 /nfs/dbraw/zinc/01/38/90/512013890.db2.gz XYFOPMFSEKOHJJ-OAHLLOKOSA-N 1 1 359.518 2.626 10 30 FFEEMO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+]C[C@@H]2COc3ccccc3O2)C1 ZINC000329638794 512080158 /nfs/dbraw/zinc/08/01/58/512080158.db2.gz YWXMUPMOTVONLK-HZPDHXFCSA-N 1 1 370.453 2.836 10 30 FFEEMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)Nc2nccs2)[C@@H]1c1cnn(C)c1 ZINC000329955032 729799578 /nfs/dbraw/zinc/79/95/78/729799578.db2.gz ORQSMWMARWLTST-DZGCQCFKSA-N 1 1 362.503 2.827 10 30 FFEEMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1nn(C)c2ccccc2c1=O ZINC000329416498 967686580 /nfs/dbraw/zinc/68/65/80/967686580.db2.gz DEXXSQTVJAUYEQ-QLFBSQMISA-N 1 1 356.470 2.605 10 30 FFEEMO C=CCC[C@H](C[NH+]1CCCC1)Oc1ccc(CN2CCN(C)CC2)cn1 ZINC000072410421 203800042 /nfs/dbraw/zinc/80/00/42/203800042.db2.gz RKDZMWBWWXDJJQ-HXUWFJFHSA-N 1 1 358.530 2.638 10 30 FFEEMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](Cn3cncn3)C2)cc1Cl ZINC000106173691 250248371 /nfs/dbraw/zinc/24/83/71/250248371.db2.gz LDWGDFIPIWEVGP-CQSZACIVSA-N 1 1 372.860 2.544 10 30 FFEEMO CCc1[nH+]ccn1[C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000106214880 250256517 /nfs/dbraw/zinc/25/65/17/250256517.db2.gz OHUKFJJORVISQE-RDJZCZTQSA-N 1 1 351.454 2.981 10 30 FFEEMO C#CCN(C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C1CCCC1 ZINC000121703768 509180732 /nfs/dbraw/zinc/18/07/32/509180732.db2.gz UXGFXAUNDJORHS-PXNSSMCTSA-N 1 1 354.498 2.879 10 30 FFEEMO C[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000191801448 509187374 /nfs/dbraw/zinc/18/73/74/509187374.db2.gz BMIDXDLNYQAWAU-UHFFFAOYSA-N 1 1 374.441 2.709 10 30 FFEEMO C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000191801448 509187380 /nfs/dbraw/zinc/18/73/80/509187380.db2.gz BMIDXDLNYQAWAU-UHFFFAOYSA-N 1 1 374.441 2.709 10 30 FFEEMO N#CCCN(C(=O)C[N@@H+]1CCC[C@H](n2cncn2)C1)c1cccc(Cl)c1 ZINC000162516947 509242025 /nfs/dbraw/zinc/24/20/25/509242025.db2.gz SJVXFLKRRSQSLG-KRWDZBQOSA-N 1 1 372.860 2.515 10 30 FFEEMO N#CCCN(C(=O)C[N@H+]1CCC[C@H](n2cncn2)C1)c1cccc(Cl)c1 ZINC000162516947 509242034 /nfs/dbraw/zinc/24/20/34/509242034.db2.gz SJVXFLKRRSQSLG-KRWDZBQOSA-N 1 1 372.860 2.515 10 30 FFEEMO N#Cc1c(NC(=O)CCN2CC[N@H+]3CCCC[C@@H]3C2)sc2c1CCCC2 ZINC000172801200 509244623 /nfs/dbraw/zinc/24/46/23/509244623.db2.gz ADQZMOHRMWENEM-OAHLLOKOSA-N 1 1 372.538 2.997 10 30 FFEEMO N#Cc1c(NC(=O)CC[N@@H+]2CCN3CCCC[C@@H]3C2)sc2c1CCCC2 ZINC000172801200 509244630 /nfs/dbraw/zinc/24/46/30/509244630.db2.gz ADQZMOHRMWENEM-OAHLLOKOSA-N 1 1 372.538 2.997 10 30 FFEEMO N#Cc1c(NC(=O)CC[N@H+]2CCN3CCCC[C@@H]3C2)sc2c1CCCC2 ZINC000172801200 509244635 /nfs/dbraw/zinc/24/46/35/509244635.db2.gz ADQZMOHRMWENEM-OAHLLOKOSA-N 1 1 372.538 2.997 10 30 FFEEMO N#CCC[N@@H+](C[C@H](O)COc1cccc(Br)c1)CC1CC1 ZINC000176258393 509408212 /nfs/dbraw/zinc/40/82/12/509408212.db2.gz AECGPLVZXVETPW-HNNXBMFYSA-N 1 1 353.260 2.814 10 30 FFEEMO N#CCC[N@H+](C[C@H](O)COc1cccc(Br)c1)CC1CC1 ZINC000176258393 509408219 /nfs/dbraw/zinc/40/82/19/509408219.db2.gz AECGPLVZXVETPW-HNNXBMFYSA-N 1 1 353.260 2.814 10 30 FFEEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000249151252 509622811 /nfs/dbraw/zinc/62/28/11/509622811.db2.gz HJBFAZDBNIDDSD-MSOLQXFVSA-N 1 1 368.481 2.511 10 30 FFEEMO C=C(C)[C@H](NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000251739317 509819839 /nfs/dbraw/zinc/81/98/39/509819839.db2.gz QCUQKSSPEFCZQY-DEYYWGMASA-N 1 1 367.440 2.679 10 30 FFEEMO C[N@@H+](CCCOc1ccc(C#N)cc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000170940245 509860113 /nfs/dbraw/zinc/86/01/13/509860113.db2.gz RWAVWSXXVRNPGB-GOSISDBHSA-N 1 1 351.454 2.718 10 30 FFEEMO C=CCNC(=O)c1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2CC)cc1 ZINC000177536075 510121533 /nfs/dbraw/zinc/12/15/33/510121533.db2.gz UZUPDTOKALQIQL-QZTJIDSGSA-N 1 1 356.470 2.693 10 30 FFEEMO COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000245905986 510200484 /nfs/dbraw/zinc/20/04/84/510200484.db2.gz CGBYJXZKIKXJNT-NJDAHSKKSA-N 1 1 364.445 2.870 10 30 FFEEMO CC[C@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)CC[N@H+]1C[C@@H](C)O ZINC000174733466 510276653 /nfs/dbraw/zinc/27/66/53/510276653.db2.gz FBXJHSZLEJZNMH-DOMZBBRYSA-N 1 1 360.408 2.666 10 30 FFEEMO C=CCn1c(C)cc(C(=O)CN2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)c1C ZINC000174889200 510368533 /nfs/dbraw/zinc/36/85/33/510368533.db2.gz ZJEFPYVSTUGRDS-HXUWFJFHSA-N 1 1 372.557 2.576 10 30 FFEEMO C#CCN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C1CCCC1 ZINC000246532859 510542566 /nfs/dbraw/zinc/54/25/66/510542566.db2.gz UXGFXAUNDJORHS-YLJYHZDGSA-N 1 1 354.498 2.879 10 30 FFEEMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246669311 510608850 /nfs/dbraw/zinc/60/88/50/510608850.db2.gz LZXGXZJAKUNFBN-YLJYHZDGSA-N 1 1 364.449 2.870 10 30 FFEEMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246669311 510608853 /nfs/dbraw/zinc/60/88/53/510608853.db2.gz LZXGXZJAKUNFBN-YLJYHZDGSA-N 1 1 364.449 2.870 10 30 FFEEMO N#Cc1c(NC(=O)CN2CCC[N@H+](C3CC3)CC2)sc2c1CCCCC2 ZINC000172347861 510684396 /nfs/dbraw/zinc/68/43/96/510684396.db2.gz ARHYZTGLNIWTBQ-UHFFFAOYSA-N 1 1 372.538 2.997 10 30 FFEEMO COc1ccc(C#N)cc1CN1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195287549 510761159 /nfs/dbraw/zinc/76/11/59/510761159.db2.gz FLRKCZFEWYTDEY-LJQANCHMSA-N 1 1 350.466 2.916 10 30 FFEEMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195287549 510761166 /nfs/dbraw/zinc/76/11/66/510761166.db2.gz FLRKCZFEWYTDEY-LJQANCHMSA-N 1 1 350.466 2.916 10 30 FFEEMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195287549 510761172 /nfs/dbraw/zinc/76/11/72/510761172.db2.gz FLRKCZFEWYTDEY-LJQANCHMSA-N 1 1 350.466 2.916 10 30 FFEEMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000247002082 510792873 /nfs/dbraw/zinc/79/28/73/510792873.db2.gz PREPIRVKBSFHJU-RCHSDXJNSA-N 1 1 361.530 2.933 10 30 FFEEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCc1ccc(C#N)cc1 ZINC000247156624 510847229 /nfs/dbraw/zinc/84/72/29/510847229.db2.gz IRODHWZFZDWGGG-LAUBAEHRSA-N 1 1 362.477 2.913 10 30 FFEEMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)[C@]1(C#N)CC12CCCC2 ZINC000333680125 511320916 /nfs/dbraw/zinc/32/09/16/511320916.db2.gz KYXUIVIMMDFUHN-YRISNDGFSA-N 1 1 369.513 2.735 10 30 FFEEMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000329140564 511990983 /nfs/dbraw/zinc/99/09/83/511990983.db2.gz FYFJJNOGDMRJJN-DLBZAZTESA-N 1 1 362.518 2.888 10 30 FFEEMO CC(C)(C)c1cn2c(n1)CC[C@H](NC([O-])=[NH+]C1CC[NH+](C3CC3)CC1)C2 ZINC000329251143 512013833 /nfs/dbraw/zinc/01/38/33/512013833.db2.gz XYFOPMFSEKOHJJ-HNNXBMFYSA-N 1 1 359.518 2.626 10 30 FFEEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329322002 512026634 /nfs/dbraw/zinc/02/66/34/512026634.db2.gz FIFPIKVSOFRMCL-OWCLPIDISA-N 1 1 359.518 2.578 10 30 FFEEMO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329322002 512026637 /nfs/dbraw/zinc/02/66/37/512026637.db2.gz FIFPIKVSOFRMCL-OWCLPIDISA-N 1 1 359.518 2.578 10 30 FFEEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329322002 512026642 /nfs/dbraw/zinc/02/66/42/512026642.db2.gz FIFPIKVSOFRMCL-OWCLPIDISA-N 1 1 359.518 2.578 10 30 FFEEMO C[N@H+]1CCO[C@H]2CCN(c3c(C#N)cnc4c(F)ccc(Cl)c43)C[C@H]21 ZINC000285249396 512051775 /nfs/dbraw/zinc/05/17/75/512051775.db2.gz ZBCWDGKEZMGJDM-CABCVRRESA-N 1 1 360.820 2.808 10 30 FFEEMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CC[C@H](CCO)C1 ZINC000329790628 512097556 /nfs/dbraw/zinc/09/75/56/512097556.db2.gz CXNQQBHCIHQFBQ-XUBOLADHSA-N 1 1 357.498 2.800 10 30 FFEEMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CSCN1C(=O)C1CCC1 ZINC000329112984 729796386 /nfs/dbraw/zinc/79/63/86/729796386.db2.gz KZWPMKNNNUKPBM-YCPHGPKFSA-N 1 1 353.532 2.765 10 30 FFEEMO CS(=O)(=O)Cc1cccc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000329196341 729796821 /nfs/dbraw/zinc/79/68/21/729796821.db2.gz VVFRMWSWZCOTMA-INIZCTEOSA-N 1 1 350.484 2.553 10 30 FFEEMO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)[C@@H]3C[C@@H]4CC[C@H]3C4)CC2)cc1 ZINC000333227284 258257031 /nfs/dbraw/zinc/25/70/31/258257031.db2.gz XPLMIGONCMYUCP-HSALFYBXSA-N 1 1 373.522 2.584 10 30 FFEEMO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)[C@@H]3C[C@@H]4CC[C@H]3C4)CC2)cc1 ZINC000333227284 258257032 /nfs/dbraw/zinc/25/70/32/258257032.db2.gz XPLMIGONCMYUCP-HSALFYBXSA-N 1 1 373.522 2.584 10 30 FFEEMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cccc(SCC#N)c2)CC1 ZINC000079542373 507973020 /nfs/dbraw/zinc/97/30/20/507973020.db2.gz QUCFNNAJFLVIGZ-GOSISDBHSA-N 1 1 372.538 2.544 10 30 FFEEMO C=CCn1c(C)cc(C(=O)C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1C ZINC000106077621 508391520 /nfs/dbraw/zinc/39/15/20/508391520.db2.gz VGPOLJIRTMNMRV-SFHVURJKSA-N 1 1 367.497 2.864 10 30 FFEEMO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1C ZINC000106077621 508391523 /nfs/dbraw/zinc/39/15/23/508391523.db2.gz VGPOLJIRTMNMRV-SFHVURJKSA-N 1 1 367.497 2.864 10 30 FFEEMO COc1ccc(C[N@@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)cc1C#N ZINC000127996074 508533028 /nfs/dbraw/zinc/53/30/28/508533028.db2.gz MPQBBPLUYVMBCW-UHFFFAOYSA-N 1 1 367.453 2.535 10 30 FFEEMO COc1ccc(C[N@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)cc1C#N ZINC000127996074 508533032 /nfs/dbraw/zinc/53/30/32/508533032.db2.gz MPQBBPLUYVMBCW-UHFFFAOYSA-N 1 1 367.453 2.535 10 30 FFEEMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)C2CCN(CCn3cccn3)CC2)cc1 ZINC000121205639 509149918 /nfs/dbraw/zinc/14/99/18/509149918.db2.gz FUVKLIJKOKVLOW-GOSISDBHSA-N 1 1 367.497 2.770 10 30 FFEEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cccc(F)c1C#N ZINC000249589215 509719299 /nfs/dbraw/zinc/71/92/99/509719299.db2.gz UXZJEKOHUBRTPS-AUUYWEPGSA-N 1 1 352.413 2.733 10 30 FFEEMO CC[C@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CC[N@H+]1C[C@@H](C)O ZINC000177130217 509890112 /nfs/dbraw/zinc/89/01/12/509890112.db2.gz DVZHEGKUCDDXKI-QAPCUYQASA-N 1 1 354.416 2.834 10 30 FFEEMO Cc1sc(NC(=O)CN2CCC(Cc3[nH+]ccn3C)CC2)c(C#N)c1C ZINC000177137609 509894122 /nfs/dbraw/zinc/89/41/22/509894122.db2.gz BCPKQWDFACJBTJ-UHFFFAOYSA-N 1 1 371.510 2.863 10 30 FFEEMO C[C@H]1C[N@H+](C2CCN(C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2)CCO1 ZINC000171151784 509971725 /nfs/dbraw/zinc/97/17/25/509971725.db2.gz RTAVBYVCRMDHOL-HNNXBMFYSA-N 1 1 373.501 2.832 10 30 FFEEMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCCN(c2ccccn2)CC1 ZINC000183802201 509982123 /nfs/dbraw/zinc/98/21/23/509982123.db2.gz FWCKQKHGOBGDAG-UHFFFAOYSA-N 1 1 355.467 2.556 10 30 FFEEMO C=C(C)COc1cccc(NC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1 ZINC000177827905 510274958 /nfs/dbraw/zinc/27/49/58/510274958.db2.gz DOEXNOYNDMIXRI-VQIMIIECSA-N 1 1 359.470 2.826 10 30 FFEEMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000171891661 510431282 /nfs/dbraw/zinc/43/12/82/510431282.db2.gz LCBHGUHXGYMYRF-LJQANCHMSA-N 1 1 368.481 2.813 10 30 FFEEMO C[C@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)C[C@H]1[NH+]1CCOCC1 ZINC000246637054 510595528 /nfs/dbraw/zinc/59/55/28/510595528.db2.gz ZDYXTMNCADMTSK-YVEFUNNKSA-N 1 1 358.392 2.542 10 30 FFEEMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000178630724 510696490 /nfs/dbraw/zinc/69/64/90/510696490.db2.gz MUGTTYXUSDWZRN-RBUKOAKNSA-N 1 1 354.498 2.719 10 30 FFEEMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)cc1 ZINC000247642070 510867700 /nfs/dbraw/zinc/86/77/00/510867700.db2.gz TVWRGIPKLMJLMK-VWPQPMDRSA-N 1 1 366.461 2.886 10 30 FFEEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000330111024 510918332 /nfs/dbraw/zinc/91/83/32/510918332.db2.gz ASHCALIUCBQIIN-DLVXIWMQSA-N 1 1 368.481 2.975 10 30 FFEEMO C[C@@H](C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C)[N@@H+]1CCc2ccccc2C1 ZINC000330339587 510969743 /nfs/dbraw/zinc/96/97/43/510969743.db2.gz WVGMXSAAHFBLAE-RIFZZMRRSA-N 1 1 368.481 2.901 10 30 FFEEMO C[C@@H](C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C)[N@H+]1CCc2ccccc2C1 ZINC000330339587 510969746 /nfs/dbraw/zinc/96/97/46/510969746.db2.gz WVGMXSAAHFBLAE-RIFZZMRRSA-N 1 1 368.481 2.901 10 30 FFEEMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000281576363 511896230 /nfs/dbraw/zinc/89/62/30/511896230.db2.gz ZLWVZYYDBCWATK-JUHPOPGZSA-N 1 1 367.493 2.925 10 30 FFEEMO C[C@@H](NC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1cn[nH]c1 ZINC000328853755 511940864 /nfs/dbraw/zinc/94/08/64/511940864.db2.gz JFGFSJXSYVRCPE-OWCLPIDISA-N 1 1 363.506 2.596 10 30 FFEEMO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000329185037 512001470 /nfs/dbraw/zinc/00/14/70/512001470.db2.gz PITUDKVCNGXQAJ-FDMITFGQSA-N 1 1 355.482 2.720 10 30 FFEEMO Cc1oncc1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000329595909 512074059 /nfs/dbraw/zinc/07/40/59/512074059.db2.gz VPEBQZMIENCFKA-CSFVBSKPSA-N 1 1 352.454 2.582 10 30 FFEEMO CC(=O)N1C[C@H](CCC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)c2ccccc21 ZINC000329638444 512080386 /nfs/dbraw/zinc/08/03/86/512080386.db2.gz WEFGXQCQPCVDFA-AEFFLSMTSA-N 1 1 372.513 2.509 10 30 FFEEMO Cc1csc([C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)C2CC2)n1 ZINC000329673956 512085632 /nfs/dbraw/zinc/08/56/32/512085632.db2.gz TUMYWAYIDWZEQO-FVQBIDKESA-N 1 1 364.515 2.612 10 30 FFEEMO C#CCOC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc(OC)c1OC ZINC000036103669 518305662 /nfs/dbraw/zinc/30/56/62/518305662.db2.gz PCEOGQGCSAMOOT-FQEVSTJZSA-N 1 1 369.461 2.717 10 30 FFEEMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(c2cc[nH]n2)CC1 ZINC000329460229 967727403 /nfs/dbraw/zinc/72/74/03/967727403.db2.gz RUXOLYFOYQXULG-GOSISDBHSA-N 1 1 353.470 2.778 10 30 FFEEMO COc1cccc(C[C@H](NC(C)=O)C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)c1 ZINC000329648622 967912782 /nfs/dbraw/zinc/91/27/82/967912782.db2.gz KAGJNQAWHGYPRO-QSFXBCCZSA-N 1 1 373.497 2.668 10 30 FFEEMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000329654757 967915355 /nfs/dbraw/zinc/91/53/55/967915355.db2.gz MAAXGXBQQOPVQB-RDJZCZTQSA-N 1 1 359.470 2.995 10 30 FFEEMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000106181745 250251925 /nfs/dbraw/zinc/25/19/25/250251925.db2.gz MEOHAIWYNREKMA-KBXCAEBGSA-N 1 1 366.469 2.506 10 30 FFEEMO Cc1cnn([C@H]2CCC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)c1 ZINC000106225361 250258787 /nfs/dbraw/zinc/25/87/87/250258787.db2.gz OMEKNOSZHNKILH-INIZCTEOSA-N 1 1 357.845 2.992 10 30 FFEEMO Cc1cnn([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)c1 ZINC000106225361 250258791 /nfs/dbraw/zinc/25/87/91/250258791.db2.gz OMEKNOSZHNKILH-INIZCTEOSA-N 1 1 357.845 2.992 10 30 FFEEMO C=C[C@H](CC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000089505508 507843555 /nfs/dbraw/zinc/84/35/55/507843555.db2.gz ZYOVUVUHNMRYAJ-TZIWHRDSSA-N 1 1 355.526 2.975 10 30 FFEEMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[NH+](C2CC2)CC1 ZINC000108361249 507889399 /nfs/dbraw/zinc/88/93/99/507889399.db2.gz XQSYSRHEYBGCSJ-OAHLLOKOSA-N 1 1 358.511 2.799 10 30 FFEEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000113267624 508255568 /nfs/dbraw/zinc/25/55/68/508255568.db2.gz YSBFFIIDPFDHEW-HUUCEWRRSA-N 1 1 372.538 2.996 10 30 FFEEMO C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1Br ZINC000123191421 508649948 /nfs/dbraw/zinc/64/99/48/508649948.db2.gz GEFHHJOYLSCCQC-ZBEGNZNMSA-N 1 1 350.260 2.908 10 30 FFEEMO C=CCNc1ncc(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)s1 ZINC000129207020 508697961 /nfs/dbraw/zinc/69/79/61/508697961.db2.gz HLXZPYXVMYVJDJ-UHFFFAOYSA-N 1 1 357.483 2.843 10 30 FFEEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ncccc1OCCCC#N ZINC000188770371 509254883 /nfs/dbraw/zinc/25/48/83/509254883.db2.gz BQIWVXUJFQIIMV-INIZCTEOSA-N 1 1 368.441 2.966 10 30 FFEEMO CC[N@H+]1CCC[C@@H](NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000175991956 509261156 /nfs/dbraw/zinc/26/11/56/509261156.db2.gz CLFAYMLUNZWWMJ-MRXNPFEDSA-N 1 1 353.388 2.840 10 30 FFEEMO C=CC[C@H](CO)NC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000248593164 509381317 /nfs/dbraw/zinc/38/13/17/509381317.db2.gz RWIDAPCGCDDKMA-JJRVBVJISA-N 1 1 369.868 2.708 10 30 FFEEMO C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248661519 509423782 /nfs/dbraw/zinc/42/37/82/509423782.db2.gz XDYQLUAVGFYNPA-QUCCMNQESA-N 1 1 358.530 2.648 10 30 FFEEMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000248661519 509423787 /nfs/dbraw/zinc/42/37/87/509423787.db2.gz XDYQLUAVGFYNPA-QUCCMNQESA-N 1 1 358.530 2.648 10 30 FFEEMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000248661519 509423793 /nfs/dbraw/zinc/42/37/93/509423793.db2.gz XDYQLUAVGFYNPA-QUCCMNQESA-N 1 1 358.530 2.648 10 30 FFEEMO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C[C@H]1C ZINC000249158669 509627356 /nfs/dbraw/zinc/62/73/56/509627356.db2.gz ZJAUKBNXAZMQIT-BXUZGUMPSA-N 1 1 351.244 2.952 10 30 FFEEMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C[C@H]1C ZINC000249158669 509627361 /nfs/dbraw/zinc/62/73/61/509627361.db2.gz ZJAUKBNXAZMQIT-BXUZGUMPSA-N 1 1 351.244 2.952 10 30 FFEEMO C[C@@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)C[C@@H]1[NH+]1CCOCC1 ZINC000176705675 509651345 /nfs/dbraw/zinc/65/13/45/509651345.db2.gz ZDYXTMNCADMTSK-PXAZEXFGSA-N 1 1 358.392 2.542 10 30 FFEEMO C=C(C)[C@H](NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000251739337 509820230 /nfs/dbraw/zinc/82/02/30/509820230.db2.gz QCUQKSSPEFCZQY-LBTNJELSSA-N 1 1 367.440 2.679 10 30 FFEEMO COc1ccc(C[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1OCCCC#N ZINC000180234811 509825508 /nfs/dbraw/zinc/82/55/08/509825508.db2.gz IOAJGBDBLCHOQV-HKUYNNGSSA-N 1 1 373.497 2.530 10 30 FFEEMO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC000252692430 509858094 /nfs/dbraw/zinc/85/80/94/509858094.db2.gz LVUQYUYNHNEACK-QWFCFKBJSA-N 1 1 359.445 2.522 10 30 FFEEMO COc1cnccc1[C@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000187008752 510003197 /nfs/dbraw/zinc/00/31/97/510003197.db2.gz KZMIQERVCDCQBN-KSSFIOAISA-N 1 1 350.422 2.808 10 30 FFEEMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000171526800 510209223 /nfs/dbraw/zinc/20/92/23/510209223.db2.gz MOZSQHYPFZDPBI-HKUYNNGSSA-N 1 1 366.469 2.559 10 30 FFEEMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000171526800 510209228 /nfs/dbraw/zinc/20/92/28/510209228.db2.gz MOZSQHYPFZDPBI-HKUYNNGSSA-N 1 1 366.469 2.559 10 30 FFEEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCCOc1ccc(C#N)cc1OC ZINC000175041979 510456179 /nfs/dbraw/zinc/45/61/79/510456179.db2.gz LNOWHSSHDYBYCT-ZWKOTPCHSA-N 1 1 371.481 2.811 10 30 FFEEMO CN(C)c1noc([C@@H]2CCC[N@@H+](Cc3ccc(N(C)CCC#N)cc3)C2)n1 ZINC000194925862 510593275 /nfs/dbraw/zinc/59/32/75/510593275.db2.gz DHLKQGDNQMRKPK-QGZVFWFLSA-N 1 1 368.485 2.865 10 30 FFEEMO C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000182086349 510747784 /nfs/dbraw/zinc/74/77/84/510747784.db2.gz KBAWRIWJIZVSAA-DLBZAZTESA-N 1 1 351.450 2.962 10 30 FFEEMO Cc1csc([C@@H]2CCC[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)n1 ZINC000195327638 510787047 /nfs/dbraw/zinc/78/70/47/510787047.db2.gz DOXMXBXGGOPEOI-SJORKVTESA-N 1 1 357.479 2.943 10 30 FFEEMO Cn1cc([C@H](NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c2ccc(F)cc2)cn1 ZINC000330127238 510920910 /nfs/dbraw/zinc/92/09/10/510920910.db2.gz MRVYXMHRDNRASX-NIKGAXFTSA-N 1 1 371.460 2.589 10 30 FFEEMO CC(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000330328783 510964832 /nfs/dbraw/zinc/96/48/32/510964832.db2.gz LYCBNEJCRQYLGV-MUGJNUQGSA-N 1 1 374.529 2.981 10 30 FFEEMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)NCc1cccs1 ZINC000330339899 510969679 /nfs/dbraw/zinc/96/96/79/510969679.db2.gz XFIJXKHTJMTYBI-WMLDXEAASA-N 1 1 361.515 2.911 10 30 FFEEMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000333680123 511321300 /nfs/dbraw/zinc/32/13/00/511321300.db2.gz KYXUIVIMMDFUHN-CDXJDZJCSA-N 1 1 369.513 2.735 10 30 FFEEMO CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2ccncc2)C1 ZINC000328927692 511951302 /nfs/dbraw/zinc/95/13/02/511951302.db2.gz GAKQCKBXAOISJN-IMFGXOCKSA-N 1 1 370.497 2.965 10 30 FFEEMO CC[N@@H+]1CCO[C@@H](CNC(=O)C2CCN(C(C)=O)CC2)[C@@H]1c1ccccc1 ZINC000328988261 511961591 /nfs/dbraw/zinc/96/15/91/511961591.db2.gz CICHFTWEEIMIKQ-PMACEKPBSA-N 1 1 373.497 2.663 10 30 FFEEMO CC[N@H+]1CCO[C@@H](CNC(=O)C2CCN(C(C)=O)CC2)[C@@H]1c1ccccc1 ZINC000328988261 511961599 /nfs/dbraw/zinc/96/15/99/511961599.db2.gz CICHFTWEEIMIKQ-PMACEKPBSA-N 1 1 373.497 2.663 10 30 FFEEMO Cc1cnn(CC2CC[NH+](CC(=O)Nc3ccc4c(c3)OCCO4)CC2)c1 ZINC000329102949 511983513 /nfs/dbraw/zinc/98/35/13/511983513.db2.gz BWIYIAKPEFSPCP-UHFFFAOYSA-N 1 1 370.453 2.963 10 30 FFEEMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000374177145 512694926 /nfs/dbraw/zinc/69/49/26/512694926.db2.gz VDRBVBAQRYYZRQ-GFEQUFNTSA-N 1 1 361.530 2.979 10 30 FFEEMO C#CCOC[C@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036103174 518313436 /nfs/dbraw/zinc/31/34/36/518313436.db2.gz GSYWZCPRNAHCJU-GOSISDBHSA-N 1 1 371.408 2.567 10 30 FFEEMO C#CCOC[C@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036103174 518313441 /nfs/dbraw/zinc/31/34/41/518313441.db2.gz GSYWZCPRNAHCJU-GOSISDBHSA-N 1 1 371.408 2.567 10 30 FFEEMO CC(C)c1noc([C@@]23CCC[C@@H]2C[N@H+](CC(=O)NC2CCOCC2)C3)n1 ZINC000328606968 519909283 /nfs/dbraw/zinc/90/92/83/519909283.db2.gz UHYITWKLJHOEAG-AUUYWEPGSA-N 1 1 362.474 2.682 10 30 FFEEMO CC(C)c1noc([C@@]23CCC[C@@H]2C[N@@H+](CC(=O)NC2CCOCC2)C3)n1 ZINC000328606968 519909285 /nfs/dbraw/zinc/90/92/85/519909285.db2.gz UHYITWKLJHOEAG-AUUYWEPGSA-N 1 1 362.474 2.682 10 30 FFEEMO C=CCSc1nc2ccccc2n1CN1CC[N@H+](CCOC)[C@H](C)C1 ZINC000117322272 728577396 /nfs/dbraw/zinc/57/73/96/728577396.db2.gz BHJDKMYOZYTPBH-MRXNPFEDSA-N 1 1 360.527 2.924 10 30 FFEEMO C=CCSc1nc2ccccc2n1C[N@H+]1CCN(CCOC)[C@H](C)C1 ZINC000117322272 728577398 /nfs/dbraw/zinc/57/73/98/728577398.db2.gz BHJDKMYOZYTPBH-MRXNPFEDSA-N 1 1 360.527 2.924 10 30 FFEEMO C=CCSc1nc2ccccc2n1C[N@@H+]1CCN(CCOC)[C@H](C)C1 ZINC000117322272 728577401 /nfs/dbraw/zinc/57/74/01/728577401.db2.gz BHJDKMYOZYTPBH-MRXNPFEDSA-N 1 1 360.527 2.924 10 30 FFEEMO C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000328755051 963276953 /nfs/dbraw/zinc/27/69/53/963276953.db2.gz DZVZCYWQUSQZEN-GOSISDBHSA-N 1 1 372.513 2.683 10 30 FFEEMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CC[C@H](c3cnn(C)c3)C2)C1 ZINC000329353647 967657621 /nfs/dbraw/zinc/65/76/21/967657621.db2.gz YBOWAXKXYANFCX-KPFFTGBYSA-N 1 1 367.497 2.959 10 30 FFEEMO CC[N@H+]1CCC[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000105174120 250202654 /nfs/dbraw/zinc/20/26/54/250202654.db2.gz MOLIGHAKDSQNSE-KRWDZBQOSA-N 1 1 356.470 2.595 10 30 FFEEMO C=CCC[C@H](C[N@@H+](C)CCN(C)C)Oc1cc(-c2nc(C)no2)ccn1 ZINC000072409503 507784379 /nfs/dbraw/zinc/78/43/79/507784379.db2.gz BGKCJOBNXMIVCB-QGZVFWFLSA-N 1 1 359.474 2.647 10 30 FFEEMO C=CCC[C@H](C[N@H+](C)CCN(C)C)Oc1cc(-c2nc(C)no2)ccn1 ZINC000072409503 507784382 /nfs/dbraw/zinc/78/43/82/507784382.db2.gz BGKCJOBNXMIVCB-QGZVFWFLSA-N 1 1 359.474 2.647 10 30 FFEEMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](c3nncn3CC)C2)c1C ZINC000103477045 508314208 /nfs/dbraw/zinc/31/42/08/508314208.db2.gz OERADVCSQRFEKS-QGZVFWFLSA-N 1 1 355.486 2.965 10 30 FFEEMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](c3nncn3CC)C2)c1C ZINC000103477045 508314209 /nfs/dbraw/zinc/31/42/09/508314209.db2.gz OERADVCSQRFEKS-QGZVFWFLSA-N 1 1 355.486 2.965 10 30 FFEEMO Cc1ccc2oc(N3CC[NH+](C[C@@H](O)c4ccc(C#N)cc4)CC3)nc2c1 ZINC000127426272 508447793 /nfs/dbraw/zinc/44/77/93/508447793.db2.gz FOWBHQAGMDPRAF-LJQANCHMSA-N 1 1 362.433 2.864 10 30 FFEEMO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000127464762 508454073 /nfs/dbraw/zinc/45/40/73/508454073.db2.gz CMXCPBHYRKEXJJ-RBUKOAKNSA-N 1 1 371.506 2.658 10 30 FFEEMO Cc1nn(C)c(C)c1C[NH+]1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000159951368 508915741 /nfs/dbraw/zinc/91/57/41/508915741.db2.gz PVCCODZXIGCLOG-UHFFFAOYSA-N 1 1 356.901 2.860 10 30 FFEEMO CCn1cnnc1C1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000173703064 509730169 /nfs/dbraw/zinc/73/01/69/509730169.db2.gz OYEAVXUOFTWZTP-UHFFFAOYSA-N 1 1 363.425 2.599 10 30 FFEEMO Cc1csc([C@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)n1 ZINC000249857023 509775626 /nfs/dbraw/zinc/77/56/26/509775626.db2.gz DOXMXBXGGOPEOI-DLBZAZTESA-N 1 1 357.479 2.943 10 30 FFEEMO C=CCNc1ncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000245987443 510240630 /nfs/dbraw/zinc/24/06/30/510240630.db2.gz KLWUUBYZCSADMN-GDBMZVCRSA-N 1 1 371.510 2.776 10 30 FFEEMO N#CCCN(C(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1)c1ccccc1 ZINC000171648172 510277045 /nfs/dbraw/zinc/27/70/45/510277045.db2.gz UMEDWVSJOKWHSC-GOSISDBHSA-N 1 1 363.465 2.762 10 30 FFEEMO N#CCCN(C(=O)C[N@H+]1CC[C@H](CNc2ccccn2)C1)c1ccccc1 ZINC000171648172 510277054 /nfs/dbraw/zinc/27/70/54/510277054.db2.gz UMEDWVSJOKWHSC-GOSISDBHSA-N 1 1 363.465 2.762 10 30 FFEEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCCOc1ccc(C#N)cc1 ZINC000181280348 510337131 /nfs/dbraw/zinc/33/71/31/510337131.db2.gz HBCYCNYCZVGARU-KRWDZBQOSA-N 1 1 366.465 2.757 10 30 FFEEMO CC[C@@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C[C@H](C)O ZINC000246522783 510536197 /nfs/dbraw/zinc/53/61/97/510536197.db2.gz VAPJTPMGVNKCLY-DOTOQJQBSA-N 1 1 370.415 2.714 10 30 FFEEMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[N@H+](C2CC2)CC1 ZINC000172541011 510781358 /nfs/dbraw/zinc/78/13/58/510781358.db2.gz QCXAIORSIZJPGF-MRXNPFEDSA-N 1 1 358.461 2.631 10 30 FFEEMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000247028952 510807684 /nfs/dbraw/zinc/80/76/84/510807684.db2.gz NJFJFJLMCDHFFH-QZTJIDSGSA-N 1 1 365.481 2.853 10 30 FFEEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)/C=C/c1ccccc1C#N ZINC000247215161 510852434 /nfs/dbraw/zinc/85/24/34/510852434.db2.gz MQJXNFFFRXNGSW-VKQWELSQSA-N 1 1 360.461 2.993 10 30 FFEEMO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000328599302 511889689 /nfs/dbraw/zinc/88/96/89/511889689.db2.gz BWOAAFQMVSGPEZ-BXCFQTICSA-N 1 1 362.518 2.598 10 30 FFEEMO C[N@H+](CC(=O)NC1CCOCC1)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328635331 511902745 /nfs/dbraw/zinc/90/27/45/511902745.db2.gz NHDLXYJWROBFLW-GFCCVEGCSA-N 1 1 374.407 2.532 10 30 FFEEMO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000328742364 511924033 /nfs/dbraw/zinc/92/40/33/511924033.db2.gz NXIHTEUZWSLGEI-KGLIPLIRSA-N 1 1 366.531 2.822 10 30 FFEEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000328973415 511960134 /nfs/dbraw/zinc/96/01/34/511960134.db2.gz VPVMGTYXPMCPCD-GVDBMIGSSA-N 1 1 350.507 2.852 10 30 FFEEMO CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)[N@H+](C)C1 ZINC000329009932 511967169 /nfs/dbraw/zinc/96/71/69/511967169.db2.gz DGWVLOVVMJGTNX-MWNCTCPHSA-N 1 1 356.825 2.985 10 30 FFEEMO CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)[N@@H+](C)C1 ZINC000329009932 511967175 /nfs/dbraw/zinc/96/71/75/511967175.db2.gz DGWVLOVVMJGTNX-MWNCTCPHSA-N 1 1 356.825 2.985 10 30 FFEEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000329093032 511982131 /nfs/dbraw/zinc/98/21/31/511982131.db2.gz KCMKGAMLWCESOX-GDBMZVCRSA-N 1 1 363.531 2.843 10 30 FFEEMO Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC(C)(C)[C@H]2C2CC2)CCC[N@H+]1C ZINC000329555534 512069265 /nfs/dbraw/zinc/06/92/65/512069265.db2.gz BMYASLRSIDPJDN-CGTJXYLNSA-N 1 1 359.518 2.837 10 30 FFEEMO C[C@H](CC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)NC(=O)C1CCCCC1 ZINC000329596265 512074241 /nfs/dbraw/zinc/07/42/41/512074241.db2.gz VRYVQBMFABYXGP-JFIYKMOQSA-N 1 1 365.518 2.623 10 30 FFEEMO Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC3(CCC3)[C@H]2C2CC2)CCC[N@H+]1C ZINC000329622167 512078569 /nfs/dbraw/zinc/07/85/69/512078569.db2.gz HDDRMIDBUNTWME-QXAKKESOSA-N 1 1 371.529 2.982 10 30 FFEEMO C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@H](CCO)C2)[C@H]1c1cccs1 ZINC000329805823 512099351 /nfs/dbraw/zinc/09/93/51/512099351.db2.gz KXKHPDNYXVZFGN-INMHGKMJSA-N 1 1 351.516 2.749 10 30 FFEEMO C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCNC2=O)[C@@H]1c1cccs1 ZINC000329810239 512100588 /nfs/dbraw/zinc/10/05/88/512100588.db2.gz QOFLAHTVAMQUQS-UMVBOHGHSA-N 1 1 350.488 2.754 10 30 FFEEMO CC(C)c1nnc2n1CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)C2 ZINC000328818355 964408447 /nfs/dbraw/zinc/40/84/47/964408447.db2.gz HRZCWUSBDNQITI-SJLPKXTDSA-N 1 1 368.485 2.577 10 30 FFEEMO Cc1c(C(=O)Nc2ccc(C)cc2C)oc2c1C(=NNC(N)=[NH2+])CCC2 ZINC000040824758 208270305 /nfs/dbraw/zinc/27/03/05/208270305.db2.gz OJHXEGOVONFVMY-OEAKJJBVSA-N 1 1 353.426 2.981 10 30 FFEEMO C=CCN1CC[C@@]2(C[N@H+](CCCc3ccccc3)CCN2C)CCC1=O ZINC000107410417 507851147 /nfs/dbraw/zinc/85/11/47/507851147.db2.gz AFZUBISXOAAOSJ-JOCHJYFZSA-N 1 1 355.526 2.804 10 30 FFEEMO C=CCN1CC[C@@]2(CN(CCCc3ccccc3)CC[N@H+]2C)CCC1=O ZINC000107410417 507851148 /nfs/dbraw/zinc/85/11/48/507851148.db2.gz AFZUBISXOAAOSJ-JOCHJYFZSA-N 1 1 355.526 2.804 10 30 FFEEMO C=CCN1CC[C@@]2(CN(CCCc3ccccc3)CC[N@@H+]2C)CCC1=O ZINC000107410417 507851150 /nfs/dbraw/zinc/85/11/50/507851150.db2.gz AFZUBISXOAAOSJ-JOCHJYFZSA-N 1 1 355.526 2.804 10 30 FFEEMO CCn1cc(C[N@@H+]2CCCN(C(=O)Nc3ccc(C#N)cc3)CC2)cn1 ZINC000112713083 508213901 /nfs/dbraw/zinc/21/39/01/508213901.db2.gz HRKWYQGJQPLOTH-UHFFFAOYSA-N 1 1 352.442 2.514 10 30 FFEEMO CCn1cc(C[N@H+]2CCCN(C(=O)Nc3ccc(C#N)cc3)CC2)cn1 ZINC000112713083 508213902 /nfs/dbraw/zinc/21/39/02/508213902.db2.gz HRKWYQGJQPLOTH-UHFFFAOYSA-N 1 1 352.442 2.514 10 30 FFEEMO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCN(C(=O)c3cccs3)CC2)cc1 ZINC000127508232 508460219 /nfs/dbraw/zinc/46/02/19/508460219.db2.gz HXIRAOMHPYOHNM-KRWDZBQOSA-N 1 1 355.463 2.501 10 30 FFEEMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCN(C(=O)c3cccs3)CC2)cc1 ZINC000127508232 508460223 /nfs/dbraw/zinc/46/02/23/508460223.db2.gz HXIRAOMHPYOHNM-KRWDZBQOSA-N 1 1 355.463 2.501 10 30 FFEEMO Cc1cccc(N2CCC(NC(=O)Cc3ccc(OCC#N)cc3)CC2)[nH+]1 ZINC000116667289 508544027 /nfs/dbraw/zinc/54/40/27/508544027.db2.gz HHRKVRHSNQLGFN-UHFFFAOYSA-N 1 1 364.449 2.620 10 30 FFEEMO CCc1[nH+]ccn1[C@@H]1CCCN(S(=O)(=O)c2cccc(C)c2C#N)C1 ZINC000157731293 508603641 /nfs/dbraw/zinc/60/36/41/508603641.db2.gz GABJQOIIFPTWBW-OAHLLOKOSA-N 1 1 358.467 2.651 10 30 FFEEMO COC(=O)[C@@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000123196653 508650676 /nfs/dbraw/zinc/65/06/76/508650676.db2.gz OIVCEYQPXFKGBC-QGZVFWFLSA-N 1 1 352.438 2.849 10 30 FFEEMO CCC[N@H+]1C[C@H](COS(C)(=O)=O)C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000140672814 508807601 /nfs/dbraw/zinc/80/76/01/508807601.db2.gz ZRMVUDVPSHUKAZ-MZMPZRCHSA-N 1 1 362.495 2.884 10 30 FFEEMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000154657948 508827867 /nfs/dbraw/zinc/82/78/67/508827867.db2.gz LZXGXZJAKUNFBN-XLIONFOSSA-N 1 1 364.449 2.870 10 30 FFEEMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000154657948 508827868 /nfs/dbraw/zinc/82/78/68/508827868.db2.gz LZXGXZJAKUNFBN-XLIONFOSSA-N 1 1 364.449 2.870 10 30 FFEEMO COCC[N@H+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000159923209 508911770 /nfs/dbraw/zinc/91/17/70/508911770.db2.gz SZXRHGIJVJSVIZ-OAHLLOKOSA-N 1 1 356.388 2.589 10 30 FFEEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Cc2cccc(OCC#N)c2)C1 ZINC000120300956 508967167 /nfs/dbraw/zinc/96/71/67/508967167.db2.gz MZGOTXNEYUMPKX-KRWDZBQOSA-N 1 1 352.438 2.754 10 30 FFEEMO C[C@H]1C[N@H+](C2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)CCO1 ZINC000160564252 509003771 /nfs/dbraw/zinc/00/37/71/509003771.db2.gz NQLDIMLISFVDKR-PXNSSMCTSA-N 1 1 370.497 2.926 10 30 FFEEMO Cn1nccc1C1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000195503801 509197836 /nfs/dbraw/zinc/19/78/36/509197836.db2.gz ASQUVINQRPUPGU-UHFFFAOYSA-N 1 1 351.454 2.546 10 30 FFEEMO Cc1nccn1C[C@H]1CCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182828077 509444993 /nfs/dbraw/zinc/44/49/93/509444993.db2.gz QTGZGYMWFYIZTD-WOJBJXKFSA-N 1 1 363.465 2.723 10 30 FFEEMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249537952 509706037 /nfs/dbraw/zinc/70/60/37/509706037.db2.gz DAPQACPWOKVEFR-SKDZVZGDSA-N 1 1 355.463 2.655 10 30 FFEEMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249537952 509706043 /nfs/dbraw/zinc/70/60/43/509706043.db2.gz DAPQACPWOKVEFR-SKDZVZGDSA-N 1 1 355.463 2.655 10 30 FFEEMO COc1cc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccc1O ZINC000180059778 509730649 /nfs/dbraw/zinc/73/06/49/509730649.db2.gz NAMXTCAKUIJYQH-UHFFFAOYSA-N 1 1 351.450 2.980 10 30 FFEEMO COc1cc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1O ZINC000180059778 509730657 /nfs/dbraw/zinc/73/06/57/509730657.db2.gz NAMXTCAKUIJYQH-UHFFFAOYSA-N 1 1 351.450 2.980 10 30 FFEEMO COc1cc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1O ZINC000180059778 509730666 /nfs/dbraw/zinc/73/06/66/509730666.db2.gz NAMXTCAKUIJYQH-UHFFFAOYSA-N 1 1 351.450 2.980 10 30 FFEEMO COc1ccc(C[N@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1OCCCC#N ZINC000180234791 509825225 /nfs/dbraw/zinc/82/52/25/509825225.db2.gz IOAJGBDBLCHOQV-MJGOQNOKSA-N 1 1 373.497 2.530 10 30 FFEEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)Nc1ccccc1SCC#N ZINC000245425141 509922187 /nfs/dbraw/zinc/92/21/87/509922187.db2.gz KMFQRDLUNBWABU-HOTGVXAUSA-N 1 1 358.511 2.799 10 30 FFEEMO C[C@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1N1CCOCC1 ZINC000177257643 509962463 /nfs/dbraw/zinc/96/24/63/509962463.db2.gz GHRKQFLEBVAUDE-YJBOKZPZSA-N 1 1 352.400 2.709 10 30 FFEEMO Cc1nn(C)c(C)c1C[NH+]1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000186977890 509984518 /nfs/dbraw/zinc/98/45/18/509984518.db2.gz QLABWVLCIUWTFP-UHFFFAOYSA-N 1 1 357.889 2.880 10 30 FFEEMO C=CCOc1ccc(C[N@H+](C[C@H](O)CN2CCCC2=O)C(C)(C)C)cc1 ZINC000177976869 510356320 /nfs/dbraw/zinc/35/63/20/510356320.db2.gz AMATWDQPKXWKJJ-GOSISDBHSA-N 1 1 360.498 2.835 10 30 FFEEMO CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000246248578 510388980 /nfs/dbraw/zinc/38/89/80/510388980.db2.gz KWSSAZIOGXICHK-CABCVRRESA-N 1 1 374.510 2.620 10 30 FFEEMO N#Cc1ccc(OCCC[N@H+]2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000246345386 510437595 /nfs/dbraw/zinc/43/75/95/510437595.db2.gz VIYQHYWQGFARRH-PXNSSMCTSA-N 1 1 353.466 2.802 10 30 FFEEMO COc1cc(OC)cc([C@@H]2CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)c1 ZINC000246452916 510496071 /nfs/dbraw/zinc/49/60/71/510496071.db2.gz MWLRGESPRSQMHK-FOIQADDNSA-N 1 1 359.470 2.548 10 30 FFEEMO COc1cc(OC)cc([C@@H]2CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)c1 ZINC000246452916 510496075 /nfs/dbraw/zinc/49/60/75/510496075.db2.gz MWLRGESPRSQMHK-FOIQADDNSA-N 1 1 359.470 2.548 10 30 FFEEMO Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000178292719 510531551 /nfs/dbraw/zinc/53/15/51/510531551.db2.gz IVVRWWDCKMVMNJ-LJQANCHMSA-N 1 1 351.454 2.603 10 30 FFEEMO Cc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000184966716 510607798 /nfs/dbraw/zinc/60/77/98/510607798.db2.gz ZPWZMQZJOJUIQF-CQSZACIVSA-N 1 1 364.858 2.570 10 30 FFEEMO N#CCCn1cc(C(=O)CN2CCC[N@H+](C3CC3)CC2)c2ccccc21 ZINC000172347234 510682305 /nfs/dbraw/zinc/68/23/05/510682305.db2.gz XAFCMOJIQFEFJA-UHFFFAOYSA-N 1 1 350.466 2.908 10 30 FFEEMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000247113993 510837995 /nfs/dbraw/zinc/83/79/95/510837995.db2.gz KSUOGORPYXHWLQ-CVEARBPZSA-N 1 1 358.511 2.799 10 30 FFEEMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247585190 510866575 /nfs/dbraw/zinc/86/65/75/510866575.db2.gz IYQMAGDECANYCM-JKSUJKDBSA-N 1 1 359.499 2.580 10 30 FFEEMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247585190 510866576 /nfs/dbraw/zinc/86/65/76/510866576.db2.gz IYQMAGDECANYCM-JKSUJKDBSA-N 1 1 359.499 2.580 10 30 FFEEMO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000330086404 510913177 /nfs/dbraw/zinc/91/31/77/510913177.db2.gz SBIPNFKEIZVAHZ-ZHALLVOQSA-N 1 1 354.454 2.729 10 30 FFEEMO Cn1cc[nH+]c1N1CCC(NC(=O)[C@H]2CCO[C@@H]2c2cccnc2)CC1 ZINC000328772380 511929915 /nfs/dbraw/zinc/92/99/15/511929915.db2.gz RLHGUZCEKAVPBF-DLBZAZTESA-N 1 1 355.442 2.518 10 30 FFEEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000329532541 512065158 /nfs/dbraw/zinc/06/51/58/512065158.db2.gz JZIISRWLPXZSCR-QRVBRYPASA-N 1 1 363.477 2.968 10 30 FFEEMO O=C(C[C@@H]1CCCCC(=O)N1)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000329818131 512101040 /nfs/dbraw/zinc/10/10/40/512101040.db2.gz FRCILUSKDBUFIC-ROUUACIJSA-N 1 1 359.470 2.651 10 30 FFEEMO C=CCNC(=O)c1cccc(C[NH+]2CCN(c3cccc(OC)c3)CC2)c1 ZINC000034684825 518938555 /nfs/dbraw/zinc/93/85/55/518938555.db2.gz LSVICLYXUIIWKK-UHFFFAOYSA-N 1 1 365.477 2.933 10 30 FFEEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000329672309 967929940 /nfs/dbraw/zinc/92/99/40/967929940.db2.gz UMFLWBJMXADBCE-VQIMIIECSA-N 1 1 370.497 2.960 10 30 FFEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000333260096 978087346 /nfs/dbraw/zinc/08/73/46/978087346.db2.gz CIVWJJOMYGYLKW-RDJZCZTQSA-N 1 1 369.465 2.625 10 30 FFEEMO CC(C)[N@H+](C)Cc1ncn2c1CN(C(=O)c1cccc(C#N)c1)CCC2 ZINC000096259221 209145397 /nfs/dbraw/zinc/14/53/97/209145397.db2.gz LVUUWWPIIJLLIY-UHFFFAOYSA-N 1 1 351.454 2.641 10 30 FFEEMO CC(C)[N@@H+](C)Cc1ncn2c1CN(C(=O)c1cccc(C#N)c1)CCC2 ZINC000096259221 209145401 /nfs/dbraw/zinc/14/54/01/209145401.db2.gz LVUUWWPIIJLLIY-UHFFFAOYSA-N 1 1 351.454 2.641 10 30 FFEEMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](Cn3cncn3)C2)cc1Cl ZINC000106173687 250248656 /nfs/dbraw/zinc/24/86/56/250248656.db2.gz LDWGDFIPIWEVGP-AWEZNQCLSA-N 1 1 372.860 2.544 10 30 FFEEMO CCc1[nH+]ccn1[C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000252352956 251308477 /nfs/dbraw/zinc/30/84/77/251308477.db2.gz OHUKFJJORVISQE-NVXWUHKLSA-N 1 1 351.454 2.981 10 30 FFEEMO Cc1cc(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)n2c3ccccc3nc2c1C#N ZINC000328955288 258125086 /nfs/dbraw/zinc/12/50/86/258125086.db2.gz NFRUUUUFMDQRNZ-RBUKOAKNSA-N 1 1 361.449 2.577 10 30 FFEEMO C=CCC[C@@H](C[NH+]1CCCC1)Oc1ccc(CN2CCN(C)CC2)cn1 ZINC000072410420 507785623 /nfs/dbraw/zinc/78/56/23/507785623.db2.gz RKDZMWBWWXDJJQ-FQEVSTJZSA-N 1 1 358.530 2.638 10 30 FFEEMO C=CCC[C@H](C[NH+]1CCN(C(C)=O)CC1)Oc1cnc2ccccc2n1 ZINC000072425480 507788486 /nfs/dbraw/zinc/78/84/86/507788486.db2.gz WBWAOTLJGPJXIT-QGZVFWFLSA-N 1 1 354.454 2.508 10 30 FFEEMO C=C[C@@H](CC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000089505514 507843541 /nfs/dbraw/zinc/84/35/41/507843541.db2.gz ZYOVUVUHNMRYAJ-PZJWPPBQSA-N 1 1 355.526 2.975 10 30 FFEEMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](c3nncn3CC)C2)c1C ZINC000103477046 508313892 /nfs/dbraw/zinc/31/38/92/508313892.db2.gz OERADVCSQRFEKS-KRWDZBQOSA-N 1 1 355.486 2.965 10 30 FFEEMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](c3nncn3CC)C2)c1C ZINC000103477046 508313893 /nfs/dbraw/zinc/31/38/93/508313893.db2.gz OERADVCSQRFEKS-KRWDZBQOSA-N 1 1 355.486 2.965 10 30 FFEEMO N#Cc1ccc([C@H](O)C[N@@H+]2CCCN(C(=O)c3cccs3)CC2)cc1 ZINC000127508453 508460477 /nfs/dbraw/zinc/46/04/77/508460477.db2.gz HXIRAOMHPYOHNM-QGZVFWFLSA-N 1 1 355.463 2.501 10 30 FFEEMO N#Cc1ccc([C@H](O)C[N@H+]2CCCN(C(=O)c3cccs3)CC2)cc1 ZINC000127508453 508460481 /nfs/dbraw/zinc/46/04/81/508460481.db2.gz HXIRAOMHPYOHNM-QGZVFWFLSA-N 1 1 355.463 2.501 10 30 FFEEMO Cc1ccc(N2CCC(NC(=O)c3ccccc3OCC#N)CC2)[nH+]c1 ZINC000157856817 508623161 /nfs/dbraw/zinc/62/31/61/508623161.db2.gz ITUPKISUKJZRAM-UHFFFAOYSA-N 1 1 350.422 2.691 10 30 FFEEMO C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1Br ZINC000123191830 508650276 /nfs/dbraw/zinc/65/02/76/508650276.db2.gz GEFHHJOYLSCCQC-MEDUHNTESA-N 1 1 350.260 2.908 10 30 FFEEMO COCc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000153977172 508690616 /nfs/dbraw/zinc/69/06/16/508690616.db2.gz HKINNOLJCIOTGX-KRWDZBQOSA-N 1 1 355.442 2.732 10 30 FFEEMO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000155727222 509059957 /nfs/dbraw/zinc/05/99/57/509059957.db2.gz HQGJVCLFCXUUOO-RDJZCZTQSA-N 1 1 359.470 2.571 10 30 FFEEMO Cn1cc[nH+]c1CC1CCN(C(=O)CSc2ccc(C#N)cc2)CC1 ZINC000162597291 509261379 /nfs/dbraw/zinc/26/13/79/509261379.db2.gz KJLUUUDBEOIGPV-UHFFFAOYSA-N 1 1 354.479 2.865 10 30 FFEEMO C=C[C@@H](CC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000245658964 510066637 /nfs/dbraw/zinc/06/66/37/510066637.db2.gz PDPQYHGMUJAOGU-FPOVZHCZSA-N 1 1 355.526 2.975 10 30 FFEEMO Cc1nc(C[C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)no1 ZINC000171405619 510137143 /nfs/dbraw/zinc/13/71/43/510137143.db2.gz HYACRJBLIRYGLG-DZGCQCFKSA-N 1 1 353.426 2.531 10 30 FFEEMO Cc1nc(C[C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)no1 ZINC000171405619 510137150 /nfs/dbraw/zinc/13/71/50/510137150.db2.gz HYACRJBLIRYGLG-DZGCQCFKSA-N 1 1 353.426 2.531 10 30 FFEEMO C#CCOc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000190619533 510242737 /nfs/dbraw/zinc/24/27/37/510242737.db2.gz YCQYKKXPAXGTSE-IBGZPJMESA-N 1 1 363.461 2.688 10 30 FFEEMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246477738 510510637 /nfs/dbraw/zinc/51/06/37/510510637.db2.gz GIOHTROZMNODQX-NSHGMRRFSA-N 1 1 361.461 2.768 10 30 FFEEMO CCc1nc2n(n1)CCC[C@H]2[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181881263 510640157 /nfs/dbraw/zinc/64/01/57/510640157.db2.gz UTQYLGRBXTYWSW-LJQANCHMSA-N 1 1 364.497 2.801 10 30 FFEEMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC[N@H+](C3CC3)CC2)cc1 ZINC000172543704 510783302 /nfs/dbraw/zinc/78/33/02/510783302.db2.gz IBAPOAVPPKAVNX-GOSISDBHSA-N 1 1 354.498 2.800 10 30 FFEEMO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000247027452 510806606 /nfs/dbraw/zinc/80/66/06/510806606.db2.gz HQGJVCLFCXUUOO-DOTOQJQBSA-N 1 1 359.470 2.571 10 30 FFEEMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247580732 510866399 /nfs/dbraw/zinc/86/63/99/510866399.db2.gz YKEZKXIAPIJEDH-TZMCWYRMSA-N 1 1 357.845 2.762 10 30 FFEEMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247580732 510866400 /nfs/dbraw/zinc/86/64/00/510866400.db2.gz YKEZKXIAPIJEDH-TZMCWYRMSA-N 1 1 357.845 2.762 10 30 FFEEMO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)C2)n1 ZINC000329922774 510878761 /nfs/dbraw/zinc/87/87/61/510878761.db2.gz UDBTWNYFYQOGEZ-WMZOPIPTSA-N 1 1 367.497 2.919 10 30 FFEEMO Cc1nn(C)c(-n2ccnc2C)c1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000330019808 510901190 /nfs/dbraw/zinc/90/11/90/510901190.db2.gz VQXVAUGLUNLXHL-MRXNPFEDSA-N 1 1 358.490 2.648 10 30 FFEEMO Cc1cn2c(n1)[C@H](CNC(=O)N1CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C1)CCC2 ZINC000328662375 511910666 /nfs/dbraw/zinc/91/06/66/511910666.db2.gz XHEKJHVFRMTEHQ-YQVWRLOYSA-N 1 1 371.529 2.932 10 30 FFEEMO Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000328932087 511952466 /nfs/dbraw/zinc/95/24/66/511952466.db2.gz BLOFWCJQMFRKOG-VSZNYVQBSA-N 1 1 354.454 2.900 10 30 FFEEMO C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCS[C@@H](C)C1 ZINC000329004377 511966106 /nfs/dbraw/zinc/96/61/06/511966106.db2.gz MCOAKWPPEYLKFP-RYUDHWBXSA-N 1 1 365.455 2.786 10 30 FFEEMO C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCS[C@@H](C)C1 ZINC000329004377 511966109 /nfs/dbraw/zinc/96/61/09/511966109.db2.gz MCOAKWPPEYLKFP-RYUDHWBXSA-N 1 1 365.455 2.786 10 30 FFEEMO CCn1cnnc1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2c(C)nn(C)c2C)C1 ZINC000329019088 511968636 /nfs/dbraw/zinc/96/86/36/511968636.db2.gz RUFYPZRWNLRKBE-CABCVRRESA-N 1 1 359.478 2.504 10 30 FFEEMO CCn1cnnc1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2c(C)nn(C)c2C)C1 ZINC000329019088 511968638 /nfs/dbraw/zinc/96/86/38/511968638.db2.gz RUFYPZRWNLRKBE-CABCVRRESA-N 1 1 359.478 2.504 10 30 FFEEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000329509887 512060784 /nfs/dbraw/zinc/06/07/84/512060784.db2.gz BRHFQAPEZVSLPY-ZBFHGGJFSA-N 1 1 365.440 2.800 10 30 FFEEMO CN(C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329716055 512090483 /nfs/dbraw/zinc/09/04/83/512090483.db2.gz VXHALBQRIQEDAU-RIIYIZTASA-N 1 1 350.507 2.991 10 30 FFEEMO CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCC([NH+]3CCCCC3)CC1)CC2 ZINC000329401547 967679715 /nfs/dbraw/zinc/67/97/15/967679715.db2.gz BKNQCFJEJDLITC-INIZCTEOSA-N 1 1 374.533 2.581 10 30 FFEEMO CCn1nc(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c(=O)c2ccccc21 ZINC000329404378 967681589 /nfs/dbraw/zinc/68/15/89/967681589.db2.gz BNHKIYKSVSSLPG-CQSZACIVSA-N 1 1 354.454 2.738 10 30 FFEEMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1nn(C)c2ccccc2c1=O ZINC000329416500 967686513 /nfs/dbraw/zinc/68/65/13/967686513.db2.gz DEXXSQTVJAUYEQ-ZNMIVQPWSA-N 1 1 356.470 2.605 10 30 FFEEMO Cc1nc2ccc(NC(=O)N3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)cn2n1 ZINC000329463051 967731527 /nfs/dbraw/zinc/73/15/27/967731527.db2.gz TZAVNNQUIOFPDV-HNNXBMFYSA-N 1 1 364.453 2.790 10 30 FFEEMO Cc1nc2ccc(NC(=O)N3CC[N@H+](Cc4ccccc4)C[C@@H]3C)cn2n1 ZINC000329463051 967731533 /nfs/dbraw/zinc/73/15/33/967731533.db2.gz TZAVNNQUIOFPDV-HNNXBMFYSA-N 1 1 364.453 2.790 10 30 FFEEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)n1 ZINC000106182090 250251528 /nfs/dbraw/zinc/25/15/28/250251528.db2.gz RSISTZCGBMNLEE-SFHVURJKSA-N 1 1 366.469 2.507 10 30 FFEEMO CC(C)C[N@H+]1CCc2nc(N)c(C#N)c(-c3cnc(NC(C)C)nc3)c2C1 ZINC000072134320 507754850 /nfs/dbraw/zinc/75/48/50/507754850.db2.gz OODCHHJCFRJUIU-UHFFFAOYSA-N 1 1 365.485 2.827 10 30 FFEEMO COc1ccc([C@H]2C[C@H](C)[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)cc1 ZINC000076390725 508198849 /nfs/dbraw/zinc/19/88/49/508198849.db2.gz AUZUSOYXKHPGPC-WMZOPIPTSA-N 1 1 354.454 2.529 10 30 FFEEMO CCOCC[N@H+]1CCN(C(=O)Nc2ccccc2O[C@@H](C)C#N)C[C@H]1CC ZINC000133498257 508407761 /nfs/dbraw/zinc/40/77/61/508407761.db2.gz ACRJYBBJBXBHSI-DLBZAZTESA-N 1 1 374.485 2.942 10 30 FFEEMO C[C@H](c1ccc(C#N)cc1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000118398530 508649256 /nfs/dbraw/zinc/64/92/56/508649256.db2.gz QBWHXVDATTVLIV-NQIIRXRSSA-N 1 1 365.477 2.677 10 30 FFEEMO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000118398530 508649259 /nfs/dbraw/zinc/64/92/59/508649259.db2.gz QBWHXVDATTVLIV-NQIIRXRSSA-N 1 1 365.477 2.677 10 30 FFEEMO COc1ccc(C[N@H+]2CCC[C@@H](n3cncn3)C2)cc1OCCCC#N ZINC000119523925 508812011 /nfs/dbraw/zinc/81/20/11/508812011.db2.gz ISPCWCABMBLPIX-QGZVFWFLSA-N 1 1 355.442 2.806 10 30 FFEEMO C=CCOc1cccc(NC(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000126036489 509057183 /nfs/dbraw/zinc/05/71/83/509057183.db2.gz LBVKHGIXOKXDGE-IBGZPJMESA-N 1 1 372.513 2.885 10 30 FFEEMO Cc1cccc(N2CCC(NC(=O)c3c(F)cc(C#N)cc3F)CC2)[nH+]1 ZINC000151969405 509120855 /nfs/dbraw/zinc/12/08/55/509120855.db2.gz VDOJGEJADLTLLQ-UHFFFAOYSA-N 1 1 356.376 2.939 10 30 FFEEMO CCc1noc([C@H](C)N2CC[NH+](CCCOc3cccc(C#N)c3)CC2)n1 ZINC000156188424 509141457 /nfs/dbraw/zinc/14/14/57/509141457.db2.gz YUDDFAFUNIFVFR-INIZCTEOSA-N 1 1 369.469 2.651 10 30 FFEEMO CCn1cc(C2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)cn1 ZINC000195500239 509193794 /nfs/dbraw/zinc/19/37/94/509193794.db2.gz MUNFDTYIDAZYCE-INIZCTEOSA-N 1 1 357.502 2.814 10 30 FFEEMO CCn1cc(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)cn1 ZINC000195500342 509193908 /nfs/dbraw/zinc/19/39/08/509193908.db2.gz KJTVTSBFPPAKSB-HNNXBMFYSA-N 1 1 351.454 2.981 10 30 FFEEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ncccc1OCCCC#N ZINC000188786606 509263589 /nfs/dbraw/zinc/26/35/89/509263589.db2.gz XXJJSQWVXOWMGI-HZPDHXFCSA-N 1 1 357.458 2.855 10 30 FFEEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C#N)ccc1OCCOC ZINC000248429502 509314074 /nfs/dbraw/zinc/31/40/74/509314074.db2.gz ABFNSOFOIDQQSF-IRXDYDNUSA-N 1 1 372.469 2.674 10 30 FFEEMO COc1ccc(C[NH+]2CCN(c3cc(C)[nH]n3)CC2)cc1OCCCC#N ZINC000189017262 509370619 /nfs/dbraw/zinc/37/06/19/509370619.db2.gz FECRCYCEOFQJON-UHFFFAOYSA-N 1 1 369.469 2.732 10 30 FFEEMO Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180040202 509721103 /nfs/dbraw/zinc/72/11/03/509721103.db2.gz WHBQWTNMJLPXJE-AWEZNQCLSA-N 1 1 364.858 2.570 10 30 FFEEMO CCOCC[N@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OCC)C[C@@H]1CC ZINC000190051353 509909914 /nfs/dbraw/zinc/90/99/14/509909914.db2.gz OPCOTJFEYHEVMG-KRWDZBQOSA-N 1 1 374.485 2.922 10 30 FFEEMO COc1ccc(CN2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1C#N ZINC000190488313 510160813 /nfs/dbraw/zinc/16/08/13/510160813.db2.gz NBYWCOIJNLXRDZ-LJQANCHMSA-N 1 1 350.466 2.916 10 30 FFEEMO COc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)cc1C#N ZINC000190488313 510160819 /nfs/dbraw/zinc/16/08/19/510160819.db2.gz NBYWCOIJNLXRDZ-LJQANCHMSA-N 1 1 350.466 2.916 10 30 FFEEMO COc1ccc(C[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)cc1C#N ZINC000190488313 510160828 /nfs/dbraw/zinc/16/08/28/510160828.db2.gz NBYWCOIJNLXRDZ-LJQANCHMSA-N 1 1 350.466 2.916 10 30 FFEEMO CC[N@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000177708525 510210386 /nfs/dbraw/zinc/21/03/86/510210386.db2.gz MQRHNGZBSMZZHD-LPHOPBHVSA-N 1 1 360.477 2.877 10 30 FFEEMO C[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000246024057 510254137 /nfs/dbraw/zinc/25/41/37/510254137.db2.gz MUDIVONRTBGWHM-OALUTQOASA-N 1 1 369.852 2.982 10 30 FFEEMO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000246024057 510254142 /nfs/dbraw/zinc/25/41/42/510254142.db2.gz MUDIVONRTBGWHM-OALUTQOASA-N 1 1 369.852 2.982 10 30 FFEEMO C[C@@H]1C[N@H+](CCC2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000246031727 510258123 /nfs/dbraw/zinc/25/81/23/510258123.db2.gz NRDQDYSBWXNFAW-KGVIQGDOSA-N 1 1 371.525 2.803 10 30 FFEEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000246125119 510307960 /nfs/dbraw/zinc/30/79/60/510307960.db2.gz BORUYXUSSRIHAC-SCLBCKFNSA-N 1 1 370.403 2.872 10 30 FFEEMO C[C@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1N1CCOCC1 ZINC000246356268 510444994 /nfs/dbraw/zinc/44/49/94/510444994.db2.gz GHRKQFLEBVAUDE-MAUKXSAKSA-N 1 1 352.400 2.709 10 30 FFEEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cc1ccc(OCC#N)cc1 ZINC000182069150 510739650 /nfs/dbraw/zinc/73/96/50/510739650.db2.gz QFDSBYPWFRYHJO-KRWDZBQOSA-N 1 1 351.450 2.768 10 30 FFEEMO C=C(C)COc1cccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](CC)C2)c1 ZINC000246963926 510771309 /nfs/dbraw/zinc/77/13/09/510771309.db2.gz ITESGKRUVAINJG-FUHWJXTLSA-N 1 1 361.486 2.950 10 30 FFEEMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCS[C@H]3COCC[C@H]32)cc1C ZINC000247292809 510855855 /nfs/dbraw/zinc/85/58/55/510855855.db2.gz UFZSBWVJOJIJJD-MOPGFXCFSA-N 1 1 373.522 2.756 10 30 FFEEMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCS[C@H]3COCC[C@H]32)cc1C ZINC000247292809 510855856 /nfs/dbraw/zinc/85/58/56/510855856.db2.gz UFZSBWVJOJIJJD-MOPGFXCFSA-N 1 1 373.522 2.756 10 30 FFEEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000330111025 510917753 /nfs/dbraw/zinc/91/77/53/510917753.db2.gz ASHCALIUCBQIIN-PHXBYCTMSA-N 1 1 368.481 2.975 10 30 FFEEMO C[N@H+](CC(=O)NC1CCOCC1)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328635334 511903330 /nfs/dbraw/zinc/90/33/30/511903330.db2.gz NHDLXYJWROBFLW-LBPRGKRZSA-N 1 1 374.407 2.532 10 30 FFEEMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328688312 511915523 /nfs/dbraw/zinc/91/55/23/511915523.db2.gz HOKLXUXQCHLBSK-ZDUSSCGKSA-N 1 1 356.430 2.569 10 30 FFEEMO C[C@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000329546344 512067274 /nfs/dbraw/zinc/06/72/74/512067274.db2.gz BVIIYKMOIPNKSN-GDAAHCPNSA-N 1 1 370.497 2.862 10 30 FFEEMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000407961217 512975241 /nfs/dbraw/zinc/97/52/41/512975241.db2.gz BUGIAJBRRBPNTG-XWSJACJDSA-N 1 1 361.530 2.933 10 30 FFEEMO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@]4(O)CCCC[C@@H]4C3)C2=O)cc1 ZINC000182850872 992282064 /nfs/dbraw/zinc/28/20/64/992282064.db2.gz JZCDOXAFERUHDT-SLYNCCJLSA-N 1 1 353.466 2.681 10 30 FFEEMO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)[C@H]3C[C@@H]4CC[C@H]3C4)CC2)cc1 ZINC000333227282 258257079 /nfs/dbraw/zinc/25/70/79/258257079.db2.gz XPLMIGONCMYUCP-AABGKKOBSA-N 1 1 373.522 2.584 10 30 FFEEMO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)[C@H]3C[C@@H]4CC[C@H]3C4)CC2)cc1 ZINC000333227282 258257080 /nfs/dbraw/zinc/25/70/80/258257080.db2.gz XPLMIGONCMYUCP-AABGKKOBSA-N 1 1 373.522 2.584 10 30 FFEEMO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[N@H+](C3CC3)CC2)c1 ZINC000061041422 507594579 /nfs/dbraw/zinc/59/45/79/507594579.db2.gz IDMCCTZKNZZXIA-UHFFFAOYSA-N 1 1 354.498 2.720 10 30 FFEEMO C[N@H+](CCc1ccc(F)cc1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000102936916 508290177 /nfs/dbraw/zinc/29/01/77/508290177.db2.gz TVHIOHGDYZSDFU-SFHVURJKSA-N 1 1 351.381 2.504 10 30 FFEEMO C[N@@H+](CCc1ccc(F)cc1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000102936916 508290180 /nfs/dbraw/zinc/29/01/80/508290180.db2.gz TVHIOHGDYZSDFU-SFHVURJKSA-N 1 1 351.381 2.504 10 30 FFEEMO Cn1cc([C@H]2CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)cn1 ZINC000116316013 508498247 /nfs/dbraw/zinc/49/82/47/508498247.db2.gz WXORZHLOYCBBRE-ZDUSSCGKSA-N 1 1 369.494 2.660 10 30 FFEEMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116321235 508499277 /nfs/dbraw/zinc/49/92/77/508499277.db2.gz VPXHWBBQMPLOED-OLZOCXBDSA-N 1 1 369.494 2.658 10 30 FFEEMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116321235 508499280 /nfs/dbraw/zinc/49/92/80/508499280.db2.gz VPXHWBBQMPLOED-OLZOCXBDSA-N 1 1 369.494 2.658 10 30 FFEEMO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1Br ZINC000124672059 508867448 /nfs/dbraw/zinc/86/74/48/508867448.db2.gz XLIDTDUTRZMIIE-QWRGUYRKSA-N 1 1 354.248 2.500 10 30 FFEEMO C[NH+](C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000156245603 509149482 /nfs/dbraw/zinc/14/94/82/509149482.db2.gz AXKCTHCWXZFEQH-INIZCTEOSA-N 1 1 363.870 2.793 10 30 FFEEMO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182828056 509445976 /nfs/dbraw/zinc/44/59/76/509445976.db2.gz QTGZGYMWFYIZTD-VQTJNVASSA-N 1 1 363.465 2.723 10 30 FFEEMO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C[C@H]12 ZINC000186010740 509478581 /nfs/dbraw/zinc/47/85/81/509478581.db2.gz VWOKFLXVJVKQFT-HCXYKTFWSA-N 1 1 371.481 2.827 10 30 FFEEMO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173608227 509673198 /nfs/dbraw/zinc/67/31/98/509673198.db2.gz GAPDATUMTOSGIX-MRXNPFEDSA-N 1 1 363.425 2.599 10 30 FFEEMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173608227 509673205 /nfs/dbraw/zinc/67/32/05/509673205.db2.gz GAPDATUMTOSGIX-MRXNPFEDSA-N 1 1 363.425 2.599 10 30 FFEEMO C=CCc1ccc(OC[C@H](O)CN2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)c(OC)c1 ZINC000245416860 509916316 /nfs/dbraw/zinc/91/63/16/509916316.db2.gz FNIORRUMUQTNLJ-HSALFYBXSA-N 1 1 374.525 2.722 10 30 FFEEMO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1nnc2n1CCCC2 ZINC000181834916 510617221 /nfs/dbraw/zinc/61/72/21/510617221.db2.gz WXQUHSYDGUUQII-MRXNPFEDSA-N 1 1 364.497 2.801 10 30 FFEEMO N#Cc1c(NC(=O)CCN2CC[N@H+]3CCC[C@@H]3C2)sc2c1CCCC2 ZINC000178634832 510698076 /nfs/dbraw/zinc/69/80/76/510698076.db2.gz RUIAWZKSIQQHHS-CQSZACIVSA-N 1 1 358.511 2.607 10 30 FFEEMO CN(Cc1cccnc1)C[C@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000195290133 510764385 /nfs/dbraw/zinc/76/43/85/510764385.db2.gz LEDHWUXMRMJTDT-HXUWFJFHSA-N 1 1 350.466 2.786 10 30 FFEEMO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(CCOc2cccc(C#N)c2)C1 ZINC000195290133 510764391 /nfs/dbraw/zinc/76/43/91/510764391.db2.gz LEDHWUXMRMJTDT-HXUWFJFHSA-N 1 1 350.466 2.786 10 30 FFEEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(CCOc2cccc(C#N)c2)C1 ZINC000195290133 510764393 /nfs/dbraw/zinc/76/43/93/510764393.db2.gz LEDHWUXMRMJTDT-HXUWFJFHSA-N 1 1 350.466 2.786 10 30 FFEEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000247469924 510861921 /nfs/dbraw/zinc/86/19/21/510861921.db2.gz ROUZCHCPANIJQA-PBHICJAKSA-N 1 1 365.399 2.935 10 30 FFEEMO CCc1nccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000247779094 510870320 /nfs/dbraw/zinc/87/03/20/510870320.db2.gz RLEKSXGVSYBLQP-CRAIPNDOSA-N 1 1 351.454 2.981 10 30 FFEEMO CCc1nccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000247779094 510870321 /nfs/dbraw/zinc/87/03/21/510870321.db2.gz RLEKSXGVSYBLQP-CRAIPNDOSA-N 1 1 351.454 2.981 10 30 FFEEMO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000330066290 510910286 /nfs/dbraw/zinc/91/02/86/510910286.db2.gz DQGRXHVAXNSVSI-RHSMWYFYSA-N 1 1 360.483 2.574 10 30 FFEEMO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000330066290 510910289 /nfs/dbraw/zinc/91/02/89/510910289.db2.gz DQGRXHVAXNSVSI-RHSMWYFYSA-N 1 1 360.483 2.574 10 30 FFEEMO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCO[C@@H]1c1cncc(Br)c1 ZINC000330324371 510963455 /nfs/dbraw/zinc/96/34/55/510963455.db2.gz IJNQMNVGNVMLGU-BFHYXJOUSA-N 1 1 354.248 2.725 10 30 FFEEMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)N[C@H]1CCCSC1 ZINC000329058619 511974951 /nfs/dbraw/zinc/97/49/51/511974951.db2.gz MVSQETKOJSXFMC-YQQAZPJKSA-N 1 1 365.547 2.544 10 30 FFEEMO Cc1cnn(CC2CC[NH+]([C@@H](C)C(=O)Nc3c(C)nn(C)c3C)CC2)c1 ZINC000329104482 511984930 /nfs/dbraw/zinc/98/49/30/511984930.db2.gz CNZVCTXDBCZMSD-INIZCTEOSA-N 1 1 358.490 2.931 10 30 FFEEMO O=C(C[N@H+]1CCC[C@@H](Cn2cncn2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000329190624 512001285 /nfs/dbraw/zinc/00/12/85/512001285.db2.gz RXVPQXOMJMSBBT-HWWITLHISA-N 1 1 357.502 2.915 10 30 FFEEMO CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N1CC[NH+](C3CCC3)CC1)C2 ZINC000329383640 512037133 /nfs/dbraw/zinc/03/71/33/512037133.db2.gz OYLUWHMAAPNPGU-HNNXBMFYSA-N 1 1 359.518 2.580 10 30 FFEEMO C[C@@H](NC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[C@@H]1CCCCO1 ZINC000329475579 512054853 /nfs/dbraw/zinc/05/48/53/512054853.db2.gz NUACHFRBYZSTHF-NTDBWNAOSA-N 1 1 367.534 2.679 10 30 FFEEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000329509886 512060245 /nfs/dbraw/zinc/06/02/45/512060245.db2.gz BRHFQAPEZVSLPY-GDBMZVCRSA-N 1 1 365.440 2.800 10 30 FFEEMO CCc1nccn1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000106217621 250258513 /nfs/dbraw/zinc/25/85/13/250258513.db2.gz WYDTWNLYTLTJAF-SFHVURJKSA-N 1 1 351.454 2.983 10 30 FFEEMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000252652242 251311513 /nfs/dbraw/zinc/31/15/13/251311513.db2.gz IXMWSVBJCSCRAA-SCTDSRPQSA-N 1 1 372.490 2.948 10 30 FFEEMO C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000110347977 508021845 /nfs/dbraw/zinc/02/18/45/508021845.db2.gz NVUVYQRDHIFEGX-DLBZAZTESA-N 1 1 351.450 2.962 10 30 FFEEMO C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000110383218 508025312 /nfs/dbraw/zinc/02/53/12/508025312.db2.gz MHTHYJHITYUEJG-FRIKZZABSA-N 1 1 365.521 2.643 10 30 FFEEMO N#Cc1ccc(OC(F)F)c(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000105036568 508358186 /nfs/dbraw/zinc/35/81/86/508358186.db2.gz NFQJJFJZNUPJSF-ZDUSSCGKSA-N 1 1 350.369 2.862 10 30 FFEEMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](c3cnn(C)c3)C2)cc1C ZINC000116317757 508498197 /nfs/dbraw/zinc/49/81/97/508498197.db2.gz KONKGMDEMCONLV-SFHVURJKSA-N 1 1 365.481 2.773 10 30 FFEEMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)cc1C ZINC000116317757 508498201 /nfs/dbraw/zinc/49/82/01/508498201.db2.gz KONKGMDEMCONLV-SFHVURJKSA-N 1 1 365.481 2.773 10 30 FFEEMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116312281 508498306 /nfs/dbraw/zinc/49/83/06/508498306.db2.gz HXRMYZWIHZXUCY-HOTGVXAUSA-N 1 1 369.444 2.684 10 30 FFEEMO CCOCC[N@@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)C[C@@H]1C ZINC000117448817 508599210 /nfs/dbraw/zinc/59/92/10/508599210.db2.gz OBHXETCJAPIXKD-INIZCTEOSA-N 1 1 374.485 2.920 10 30 FFEEMO CCOCC[N@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)C[C@@H]1C ZINC000117448817 508599212 /nfs/dbraw/zinc/59/92/12/508599212.db2.gz OBHXETCJAPIXKD-INIZCTEOSA-N 1 1 374.485 2.920 10 30 FFEEMO CC[C@H]1CN(C(=O)Nc2cc(C#N)ccc2OC(C)C)CC[N@H+]1CCOC ZINC000117448813 508599345 /nfs/dbraw/zinc/59/93/45/508599345.db2.gz RBDREDXWELXKTE-KRWDZBQOSA-N 1 1 374.485 2.920 10 30 FFEEMO Cc1oc(NC(=O)[C@H](C)N2CCC[C@@H]2Cn2cc[nH+]c2C)c(C#N)c1C ZINC000154571880 508811964 /nfs/dbraw/zinc/81/19/64/508811964.db2.gz APRFNNASZCTCNJ-XJKSGUPXSA-N 1 1 355.442 2.765 10 30 FFEEMO COc1ccc(C[N@H+]2CCC[C@H](n3cncn3)C2)cc1OCCCC#N ZINC000119523784 508812549 /nfs/dbraw/zinc/81/25/49/508812549.db2.gz ISPCWCABMBLPIX-KRWDZBQOSA-N 1 1 355.442 2.806 10 30 FFEEMO CCOCC[N@H+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000159925563 508912494 /nfs/dbraw/zinc/91/24/94/508912494.db2.gz SMAIJMGLWNLPCP-INIZCTEOSA-N 1 1 370.415 2.979 10 30 FFEEMO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000248418160 509309215 /nfs/dbraw/zinc/30/92/15/509309215.db2.gz SCCDHXVUYVFCPW-CVEARBPZSA-N 1 1 372.469 2.694 10 30 FFEEMO C#CCCCCC(=O)N1CCC[C@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192158274 509378561 /nfs/dbraw/zinc/37/85/61/509378561.db2.gz KPZNLBDBHGNYGN-KRWDZBQOSA-N 1 1 350.503 2.835 10 30 FFEEMO C#CCCCCC(=O)N1CCC[C@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192158274 509378567 /nfs/dbraw/zinc/37/85/67/509378567.db2.gz KPZNLBDBHGNYGN-KRWDZBQOSA-N 1 1 350.503 2.835 10 30 FFEEMO C=C(C)COc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)c1 ZINC000249152693 509624579 /nfs/dbraw/zinc/62/45/79/509624579.db2.gz HQEUWGQLMLWZCF-MSOLQXFVSA-N 1 1 371.481 2.665 10 30 FFEEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000176906769 509757835 /nfs/dbraw/zinc/75/78/35/509757835.db2.gz KLQMBMJGZBJNGM-HNNXBMFYSA-N 1 1 374.510 2.574 10 30 FFEEMO Cc1nc(C[C@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3C#N)C2)no1 ZINC000171653844 510284178 /nfs/dbraw/zinc/28/41/78/510284178.db2.gz YAWNMAJTUYISHL-OAHLLOKOSA-N 1 1 353.426 2.533 10 30 FFEEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NCc2cccc(C#N)c2)C1 ZINC000190691138 510287477 /nfs/dbraw/zinc/28/74/77/510287477.db2.gz BTGOBZARHUIKOQ-FQEVSTJZSA-N 1 1 363.465 2.617 10 30 FFEEMO COc1ccc(C#N)cc1CN1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195287538 510761418 /nfs/dbraw/zinc/76/14/18/510761418.db2.gz FLRKCZFEWYTDEY-IBGZPJMESA-N 1 1 350.466 2.916 10 30 FFEEMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195287538 510761422 /nfs/dbraw/zinc/76/14/22/510761422.db2.gz FLRKCZFEWYTDEY-IBGZPJMESA-N 1 1 350.466 2.916 10 30 FFEEMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195287538 510761427 /nfs/dbraw/zinc/76/14/27/510761427.db2.gz FLRKCZFEWYTDEY-IBGZPJMESA-N 1 1 350.466 2.916 10 30 FFEEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000247309799 510856438 /nfs/dbraw/zinc/85/64/38/510856438.db2.gz LVTJIEAKUXJCJM-OXJNMPFZSA-N 1 1 370.497 2.840 10 30 FFEEMO N#CC1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCOCC1 ZINC000364673240 511011506 /nfs/dbraw/zinc/01/15/06/511011506.db2.gz GLGZGZLUJFFEAR-MOPGFXCFSA-N 1 1 353.466 2.572 10 30 FFEEMO CC(=O)N(Cc1cncnc1)[C@@H]1CCC[N@@H+](Cc2cc(C#N)cs2)CC1 ZINC000328656192 511909670 /nfs/dbraw/zinc/90/96/70/511909670.db2.gz ZCHJMSREIOCKNE-GOSISDBHSA-N 1 1 369.494 2.813 10 30 FFEEMO Cn1nccc1[C@H]1[C@H](CNC(=O)c2c[nH]c3cccnc23)CCC[N@H+]1C ZINC000329003632 511966247 /nfs/dbraw/zinc/96/62/47/511966247.db2.gz LWRPNDRBYZQSKR-SCLBCKFNSA-N 1 1 352.442 2.684 10 30 FFEEMO C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[C@@H]2O)[C@H]1c1cccs1 ZINC000329797958 512098592 /nfs/dbraw/zinc/09/85/92/512098592.db2.gz GAVLAJHBNZSYSB-IVSAIRAKSA-N 1 1 351.516 2.796 10 30 FFEEMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000407961215 512975360 /nfs/dbraw/zinc/97/53/60/512975360.db2.gz BUGIAJBRRBPNTG-HCXYKTFWSA-N 1 1 361.530 2.933 10 30 FFEEMO CC(C)c1nnc2n1CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)C2 ZINC000328818353 964407796 /nfs/dbraw/zinc/40/77/96/964407796.db2.gz HRZCWUSBDNQITI-AEFFLSMTSA-N 1 1 368.485 2.577 10 30 FFEEMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000106395149 250267508 /nfs/dbraw/zinc/26/75/08/250267508.db2.gz FNEYDPDBLXIVLG-GOSISDBHSA-N 1 1 363.461 2.754 10 30 FFEEMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C[C@@H]3CCCCNC3=O)CC2)cc1 ZINC000328783857 258120471 /nfs/dbraw/zinc/12/04/71/258120471.db2.gz NQSDFXLCQULIMU-IBGZPJMESA-N 1 1 368.481 2.739 10 30 FFEEMO C=CCn1c(C)cc(C(=O)CN2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1C ZINC000067400136 506864362 /nfs/dbraw/zinc/86/43/62/506864362.db2.gz DQNZPUCFEBODCJ-QGZVFWFLSA-N 1 1 359.514 2.659 10 30 FFEEMO C=CCC[C@@H](C[NH+]1CCN(C(C)=O)CC1)Oc1cnc2ccccc2n1 ZINC000072425481 507788494 /nfs/dbraw/zinc/78/84/94/507788494.db2.gz WBWAOTLJGPJXIT-KRWDZBQOSA-N 1 1 354.454 2.508 10 30 FFEEMO C=CCC[C@@H](C[N@@H+](C)CC(=O)N(C)C)Oc1cc(C(F)(F)F)ccn1 ZINC000072433023 507790270 /nfs/dbraw/zinc/79/02/70/507790270.db2.gz NDNIDJUXGZWWDW-AWEZNQCLSA-N 1 1 359.392 2.834 10 30 FFEEMO C=CCC[C@@H](C[N@H+](C)CC(=O)N(C)C)Oc1cc(C(F)(F)F)ccn1 ZINC000072433023 507790273 /nfs/dbraw/zinc/79/02/73/507790273.db2.gz NDNIDJUXGZWWDW-AWEZNQCLSA-N 1 1 359.392 2.834 10 30 FFEEMO C[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000108606609 507908228 /nfs/dbraw/zinc/90/82/28/507908228.db2.gz GKVVTMJTLLPKOH-OAHLLOKOSA-N 1 1 374.510 2.621 10 30 FFEEMO CCCCCCCC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000109000259 507930917 /nfs/dbraw/zinc/93/09/17/507930917.db2.gz ROHBQVYFDMKBMB-UHFFFAOYSA-N 1 1 351.535 2.750 10 30 FFEEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Cc2ccc(OCC#N)cc2)C1 ZINC000110728208 508044673 /nfs/dbraw/zinc/04/46/73/508044673.db2.gz BAIMFSKOLHSDGS-KRWDZBQOSA-N 1 1 352.438 2.754 10 30 FFEEMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000116321274 508499643 /nfs/dbraw/zinc/49/96/43/508499643.db2.gz NJFJFJLMCDHFFH-MSOLQXFVSA-N 1 1 365.481 2.853 10 30 FFEEMO N#Cc1cc(C[N@@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)ccc1F ZINC000120073961 508922641 /nfs/dbraw/zinc/92/26/41/508922641.db2.gz UHMPSPMZGNUOPU-UHFFFAOYSA-N 1 1 355.417 2.666 10 30 FFEEMO N#Cc1cc(C[N@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)ccc1F ZINC000120073961 508922646 /nfs/dbraw/zinc/92/26/46/508922646.db2.gz UHMPSPMZGNUOPU-UHFFFAOYSA-N 1 1 355.417 2.666 10 30 FFEEMO COc1cc(C#N)ccc1OCCCC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160527197 508998605 /nfs/dbraw/zinc/99/86/05/508998605.db2.gz NRIRBNNLJWDCIN-GOSISDBHSA-N 1 1 373.497 2.962 10 30 FFEEMO C=CCc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc(OC)c1OC ZINC000248122541 509239847 /nfs/dbraw/zinc/23/98/47/509239847.db2.gz NOHSBWSDRXQYGL-FUHWJXTLSA-N 1 1 358.482 2.989 10 30 FFEEMO CC[C@@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)CC[N@H+]1C[C@H](C)O ZINC000248491762 509341386 /nfs/dbraw/zinc/34/13/86/509341386.db2.gz OFBIBGVRLDOPAZ-QXAKKESOSA-N 1 1 358.486 2.518 10 30 FFEEMO C[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NCCCCC#N)CC1 ZINC000192377611 509490800 /nfs/dbraw/zinc/49/08/00/509490800.db2.gz UKTHOXUOOHBVFQ-MRXNPFEDSA-N 1 1 366.506 2.518 10 30 FFEEMO C[N@@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NCCCCC#N)CC1 ZINC000192377611 509490807 /nfs/dbraw/zinc/49/08/07/509490807.db2.gz UKTHOXUOOHBVFQ-MRXNPFEDSA-N 1 1 366.506 2.518 10 30 FFEEMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H]3CCCC[C@H]32)c(OC)c1 ZINC000249722964 509743084 /nfs/dbraw/zinc/74/30/84/509743084.db2.gz NVPGLDDEGFBSDJ-QRVBRYPASA-N 1 1 361.482 2.807 10 30 FFEEMO C=C[C@@H](CC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000245658967 510066753 /nfs/dbraw/zinc/06/67/53/510066753.db2.gz PDPQYHGMUJAOGU-PZJWPPBQSA-N 1 1 355.526 2.975 10 30 FFEEMO C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000246024063 510254766 /nfs/dbraw/zinc/25/47/66/510254766.db2.gz MUDIVONRTBGWHM-RBUKOAKNSA-N 1 1 369.852 2.982 10 30 FFEEMO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000246024063 510254770 /nfs/dbraw/zinc/25/47/70/510254770.db2.gz MUDIVONRTBGWHM-RBUKOAKNSA-N 1 1 369.852 2.982 10 30 FFEEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)NCc2cccc(C#N)c2)C1 ZINC000190691166 510288055 /nfs/dbraw/zinc/28/80/55/510288055.db2.gz BTGOBZARHUIKOQ-HXUWFJFHSA-N 1 1 363.465 2.617 10 30 FFEEMO N#CCCN(C(=O)CN1CC[N@H+]2CCCC[C@H]2C1)c1cccc(Cl)c1 ZINC000246662952 510605847 /nfs/dbraw/zinc/60/58/47/510605847.db2.gz XZFDMTYLCTVOHN-SFHVURJKSA-N 1 1 360.889 2.757 10 30 FFEEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC1CCN(CC#N)CC1 ZINC000329040448 511972356 /nfs/dbraw/zinc/97/23/56/511972356.db2.gz SMYBQVFXAAGZNM-YLJYHZDGSA-N 1 1 354.498 2.947 10 30 FFEEMO Cc1nc2sccn2c(=O)c1CC[N@@H+]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000329085135 511979130 /nfs/dbraw/zinc/97/91/30/511979130.db2.gz UEWQNYCVUUGXJN-CQSZACIVSA-N 1 1 362.499 2.684 10 30 FFEEMO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)N1CCc2cncnc2C1 ZINC000329270140 512017564 /nfs/dbraw/zinc/01/75/64/512017564.db2.gz HEKWGXJDZGQMOZ-SFHVURJKSA-N 1 1 357.502 2.793 10 30 FFEEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329322001 512026467 /nfs/dbraw/zinc/02/64/67/512026467.db2.gz FIFPIKVSOFRMCL-BZUAXINKSA-N 1 1 359.518 2.578 10 30 FFEEMO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329322001 512026473 /nfs/dbraw/zinc/02/64/73/512026473.db2.gz FIFPIKVSOFRMCL-BZUAXINKSA-N 1 1 359.518 2.578 10 30 FFEEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329322001 512026479 /nfs/dbraw/zinc/02/64/79/512026479.db2.gz FIFPIKVSOFRMCL-BZUAXINKSA-N 1 1 359.518 2.578 10 30 FFEEMO C#CCOC[C@@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036103176 518304124 /nfs/dbraw/zinc/30/41/24/518304124.db2.gz GSYWZCPRNAHCJU-SFHVURJKSA-N 1 1 371.408 2.567 10 30 FFEEMO C#CCOC[C@@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036103176 518304129 /nfs/dbraw/zinc/30/41/29/518304129.db2.gz GSYWZCPRNAHCJU-SFHVURJKSA-N 1 1 371.408 2.567 10 30 FFEEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1CC(=O)NC(=O)NCc1cccs1 ZINC000329629391 729798247 /nfs/dbraw/zinc/79/82/47/729798247.db2.gz HMYUDKSAXQLJEB-KGLIPLIRSA-N 1 1 350.488 2.677 10 30 FFEEMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CCN(c2ccccc2)C1 ZINC000330027418 970074200 /nfs/dbraw/zinc/07/42/00/970074200.db2.gz NBFSIOKAFHFPNC-INIZCTEOSA-N 1 1 364.453 2.806 10 30 FFEEMO CCc1ccccc1NC(=O)c1oc2c(c1C)C(=NNC(N)=[NH2+])CCC2 ZINC000040824796 208270117 /nfs/dbraw/zinc/27/01/17/208270117.db2.gz RIYFSROSPLUXJD-OEAKJJBVSA-N 1 1 353.426 2.926 10 30 FFEEMO C=CCn1c(C)cc(C(=O)CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1C ZINC000109751338 507984286 /nfs/dbraw/zinc/98/42/86/507984286.db2.gz VCRPHSJZHZGCNL-FQEVSTJZSA-N 1 1 372.557 2.576 10 30 FFEEMO CC(C)(C)n1cc(CN2CC[NH+](CCOc3cccc(C#N)c3)CC2)cn1 ZINC000106144441 508396574 /nfs/dbraw/zinc/39/65/74/508396574.db2.gz KYDZCWNSZPMZGP-UHFFFAOYSA-N 1 1 367.497 2.706 10 30 FFEEMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106172940 508396976 /nfs/dbraw/zinc/39/69/76/508396976.db2.gz ASPWQJUAYMPYTG-IRXDYDNUSA-N 1 1 373.526 2.655 10 30 FFEEMO Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000123119361 508639197 /nfs/dbraw/zinc/63/91/97/508639197.db2.gz BWQVXIVLSDPPIB-ZDUSSCGKSA-N 1 1 364.858 2.570 10 30 FFEEMO Cc1ccc(C#N)cc1NC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000126595726 509099857 /nfs/dbraw/zinc/09/98/57/509099857.db2.gz ZSDMFLSHYUSJGV-GOSISDBHSA-N 1 1 355.486 2.501 10 30 FFEEMO C#CCN(C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C1CCCC1 ZINC000121703600 509180750 /nfs/dbraw/zinc/18/07/50/509180750.db2.gz UXGFXAUNDJORHS-XLIONFOSSA-N 1 1 354.498 2.879 10 30 FFEEMO CCc1[nH+]ccn1[C@@H]1CCCN([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000177058479 509846062 /nfs/dbraw/zinc/84/60/62/509846062.db2.gz AFFYUUACCUYSIL-MJGOQNOKSA-N 1 1 352.438 2.868 10 30 FFEEMO C=CCc1ccc(OC[C@H](O)CN2C[C@H]3CCC[N@@H+]3C[C@H]2CC)c(OC)c1 ZINC000245416862 509916646 /nfs/dbraw/zinc/91/66/46/509916646.db2.gz FNIORRUMUQTNLJ-VAMGGRTRSA-N 1 1 374.525 2.722 10 30 FFEEMO C=CCOc1ccc(/C=C/C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000245437075 509933686 /nfs/dbraw/zinc/93/36/86/509933686.db2.gz DQYSYLLMDFIVDA-NDWYAPDHSA-N 1 1 356.466 2.968 10 30 FFEEMO C=CCNC(=O)c1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)cc1 ZINC000177536087 510122008 /nfs/dbraw/zinc/12/20/08/510122008.db2.gz UZUPDTOKALQIQL-ZWKOTPCHSA-N 1 1 356.470 2.693 10 30 FFEEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000190449637 510137794 /nfs/dbraw/zinc/13/77/94/510137794.db2.gz OQOZAFWOZXDFCB-INIZCTEOSA-N 1 1 351.410 2.820 10 30 FFEEMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)nc1 ZINC000245952721 510224673 /nfs/dbraw/zinc/22/46/73/510224673.db2.gz BKCFXPWGAOOCMG-RTBURBONSA-N 1 1 364.449 2.646 10 30 FFEEMO CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000177796037 510257440 /nfs/dbraw/zinc/25/74/40/510257440.db2.gz GIURMDKQUSAWEU-QAPCUYQASA-N 1 1 372.469 2.530 10 30 FFEEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)NCc2ccc(C#N)cc2)C1 ZINC000190691268 510287689 /nfs/dbraw/zinc/28/76/89/510287689.db2.gz HXCRTKMUCRKNBC-HXUWFJFHSA-N 1 1 363.465 2.617 10 30 FFEEMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000246119117 510304225 /nfs/dbraw/zinc/30/42/25/510304225.db2.gz YIYSPCMPNSZVCV-RTBURBONSA-N 1 1 365.481 2.789 10 30 FFEEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCCOc1ccc(C#N)cc1OC ZINC000175041964 510455835 /nfs/dbraw/zinc/45/58/35/510455835.db2.gz LNOWHSSHDYBYCT-QZTJIDSGSA-N 1 1 371.481 2.811 10 30 FFEEMO CCOCC[N@@H+]1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@H]1C ZINC000172272042 510640891 /nfs/dbraw/zinc/64/08/91/510640891.db2.gz BSFJZVBTJYAJBX-OAHLLOKOSA-N 1 1 361.490 2.689 10 30 FFEEMO CCOCC[N@H+]1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@H]1C ZINC000172272042 510640898 /nfs/dbraw/zinc/64/08/98/510640898.db2.gz BSFJZVBTJYAJBX-OAHLLOKOSA-N 1 1 361.490 2.689 10 30 FFEEMO COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247027471 510805620 /nfs/dbraw/zinc/80/56/20/510805620.db2.gz HQGJVCLFCXUUOO-NVXWUHKLSA-N 1 1 359.470 2.571 10 30 FFEEMO Cc1nc(C)n(C[C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000247609424 510867307 /nfs/dbraw/zinc/86/73/07/510867307.db2.gz MEOHAIWYNREKMA-KDOFPFPSSA-N 1 1 366.469 2.506 10 30 FFEEMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000247734361 510869239 /nfs/dbraw/zinc/86/92/39/510869239.db2.gz MOZSQHYPFZDPBI-IEBWSBKVSA-N 1 1 366.469 2.559 10 30 FFEEMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000247734361 510869240 /nfs/dbraw/zinc/86/92/40/510869240.db2.gz MOZSQHYPFZDPBI-IEBWSBKVSA-N 1 1 366.469 2.559 10 30 FFEEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000247813236 510871107 /nfs/dbraw/zinc/87/11/07/510871107.db2.gz VNJXLVZWOWLIGD-MOPGFXCFSA-N 1 1 363.465 2.851 10 30 FFEEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000247813236 510871108 /nfs/dbraw/zinc/87/11/08/510871108.db2.gz VNJXLVZWOWLIGD-MOPGFXCFSA-N 1 1 363.465 2.851 10 30 FFEEMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)N[C@H]1CSC1(C)C ZINC000328791599 511932208 /nfs/dbraw/zinc/93/22/08/511932208.db2.gz ZJQHHWMROYYWIF-CWRNSKLLSA-N 1 1 365.547 2.543 10 30 FFEEMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)N[C@@H]1CSC1(C)C ZINC000329206244 512004479 /nfs/dbraw/zinc/00/44/79/512004479.db2.gz XJHZFTRHLCYAJM-NUEKZKHPSA-N 1 1 365.547 2.543 10 30 FFEEMO COc1ccc(NC(=O)NC(=O)CN2C[C@H]3CCCC[N@H+]3C[C@H]2C)cc1 ZINC000329660658 512083954 /nfs/dbraw/zinc/08/39/54/512083954.db2.gz OQGDCUYTYMQOOP-GDBMZVCRSA-N 1 1 360.458 2.742 10 30 FFEEMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)c1 ZINC000329722605 512089919 /nfs/dbraw/zinc/08/99/19/512089919.db2.gz BBWAAHGJISTRMH-XOYOTBSWSA-N 1 1 373.453 2.826 10 30 FFEEMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)c1 ZINC000329722605 512089923 /nfs/dbraw/zinc/08/99/23/512089923.db2.gz BBWAAHGJISTRMH-XOYOTBSWSA-N 1 1 373.453 2.826 10 30 FFEEMO C=CC[N@@H+](Cc1ccc(CN(C)S(C)(=O)=O)o1)Cc1ccc(F)cc1 ZINC000055386839 518778989 /nfs/dbraw/zinc/77/89/89/518778989.db2.gz QILGAVCHCCECEW-UHFFFAOYSA-N 1 1 366.458 2.998 10 30 FFEEMO C=CC[N@H+](Cc1ccc(CN(C)S(C)(=O)=O)o1)Cc1ccc(F)cc1 ZINC000055386839 518778996 /nfs/dbraw/zinc/77/89/96/518778996.db2.gz QILGAVCHCCECEW-UHFFFAOYSA-N 1 1 366.458 2.998 10 30 FFEEMO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000329194217 729796771 /nfs/dbraw/zinc/79/67/71/729796771.db2.gz UOHAHTUJRWWUIU-NVXWUHKLSA-N 1 1 371.547 2.554 10 30 FFEEMO N#Cc1cccc(N[C@H]2CO[C@]3(C2)CCC[N@H+](Cc2nccs2)C3)n1 ZINC000096073868 209108897 /nfs/dbraw/zinc/10/88/97/209108897.db2.gz XYZNDHJLOVVPHE-QAPCUYQASA-N 1 1 355.467 2.645 10 30 FFEEMO N#Cc1cccc(N[C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2nccs2)C3)n1 ZINC000096073868 209108898 /nfs/dbraw/zinc/10/88/98/209108898.db2.gz XYZNDHJLOVVPHE-QAPCUYQASA-N 1 1 355.467 2.645 10 30 FFEEMO C[N@H+]1CCO[C@H]2CCN(c3c(C#N)cnc4ccc(OC(F)F)cc43)C[C@H]21 ZINC000328991364 258126451 /nfs/dbraw/zinc/12/64/51/258126451.db2.gz SKSDRRBJSDEHPT-SJORKVTESA-N 1 1 374.391 2.617 10 30 FFEEMO N#Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)sc2c1CCCC2 ZINC000333196983 258255613 /nfs/dbraw/zinc/25/56/13/258255613.db2.gz WLBPHQLVABMVKU-ZNMIVQPWSA-N 1 1 373.522 2.920 10 30 FFEEMO C=CCn1c(C)cc(C(=O)CN2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1C ZINC000067400137 506864720 /nfs/dbraw/zinc/86/47/20/506864720.db2.gz DQNZPUCFEBODCJ-KRWDZBQOSA-N 1 1 359.514 2.659 10 30 FFEEMO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000064634213 507805723 /nfs/dbraw/zinc/80/57/23/507805723.db2.gz ROGZPLZADFPBGR-ZIFCJYIRSA-N 1 1 369.513 2.549 10 30 FFEEMO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000064634213 507805726 /nfs/dbraw/zinc/80/57/26/507805726.db2.gz ROGZPLZADFPBGR-ZIFCJYIRSA-N 1 1 369.513 2.549 10 30 FFEEMO CC[N@H+]1CCC[C@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000052521806 507811989 /nfs/dbraw/zinc/81/19/89/507811989.db2.gz OLUWPONAVRJNGL-INIZCTEOSA-N 1 1 353.388 2.840 10 30 FFEEMO Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000154586476 508813932 /nfs/dbraw/zinc/81/39/32/508813932.db2.gz GKXLOPSKJURWGI-PXNSSMCTSA-N 1 1 365.481 2.991 10 30 FFEEMO Fc1ccc(C#CC[N@@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)cc1 ZINC000159955621 508916701 /nfs/dbraw/zinc/91/67/01/508916701.db2.gz VDUGOQVRWPKMFU-UHFFFAOYSA-N 1 1 354.429 2.646 10 30 FFEEMO Fc1ccc(C#CC[N@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)cc1 ZINC000159955621 508916704 /nfs/dbraw/zinc/91/67/04/508916704.db2.gz VDUGOQVRWPKMFU-UHFFFAOYSA-N 1 1 354.429 2.646 10 30 FFEEMO C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccccc1 ZINC000156245475 509149316 /nfs/dbraw/zinc/14/93/16/509149316.db2.gz ZQLGVNLHAYVMAO-MRXNPFEDSA-N 1 1 363.870 2.793 10 30 FFEEMO N#CCC[N@@H+](C[C@@H](O)COc1cccc(Br)c1)CC1CC1 ZINC000176258377 509407877 /nfs/dbraw/zinc/40/78/77/509407877.db2.gz AECGPLVZXVETPW-OAHLLOKOSA-N 1 1 353.260 2.814 10 30 FFEEMO N#CCC[N@H+](C[C@@H](O)COc1cccc(Br)c1)CC1CC1 ZINC000176258377 509407884 /nfs/dbraw/zinc/40/78/84/509407884.db2.gz AECGPLVZXVETPW-OAHLLOKOSA-N 1 1 353.260 2.814 10 30 FFEEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ncccc1OCCCC#N ZINC000248886097 509529088 /nfs/dbraw/zinc/52/90/88/509529088.db2.gz XXJJSQWVXOWMGI-CVEARBPZSA-N 1 1 357.458 2.855 10 30 FFEEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000189347364 509531385 /nfs/dbraw/zinc/53/13/85/509531385.db2.gz FRRCSHRWRSXZQN-FQEVSTJZSA-N 1 1 374.488 2.965 10 30 FFEEMO CC[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@H+]1CCOC ZINC000180100625 509751248 /nfs/dbraw/zinc/75/12/48/509751248.db2.gz UYVGCLHBGLVJQL-HXUWFJFHSA-N 1 1 367.497 2.501 10 30 FFEEMO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000255561119 509929556 /nfs/dbraw/zinc/92/95/56/509929556.db2.gz ROGZPLZADFPBGR-AOIWGVFYSA-N 1 1 369.513 2.549 10 30 FFEEMO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000255561119 509929561 /nfs/dbraw/zinc/92/95/61/509929561.db2.gz ROGZPLZADFPBGR-AOIWGVFYSA-N 1 1 369.513 2.549 10 30 FFEEMO Cc1nccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000245944980 510222022 /nfs/dbraw/zinc/22/20/22/510222022.db2.gz NLKMKHXWCQIRFA-XBPCWFMRSA-N 1 1 371.529 2.975 10 30 FFEEMO C[C@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1N1CCOCC1 ZINC000245953341 510225606 /nfs/dbraw/zinc/22/56/06/510225606.db2.gz PXIVIPJOVVRHSV-MAUKXSAKSA-N 1 1 368.399 2.589 10 30 FFEEMO Cc1nc(C[C@@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3C#N)C2)no1 ZINC000171653841 510284881 /nfs/dbraw/zinc/28/48/81/510284881.db2.gz YAWNMAJTUYISHL-HNNXBMFYSA-N 1 1 353.426 2.533 10 30 FFEEMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)cc1 ZINC000194939901 510601652 /nfs/dbraw/zinc/60/16/52/510601652.db2.gz STGXEUQJPWPFIE-ZBFHGGJFSA-N 1 1 355.442 2.806 10 30 FFEEMO Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000184966692 510607350 /nfs/dbraw/zinc/60/73/50/510607350.db2.gz ZPWZMQZJOJUIQF-AWEZNQCLSA-N 1 1 364.858 2.570 10 30 FFEEMO CN(C(=O)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1)C1(C#N)CCCCC1 ZINC000246693612 510621725 /nfs/dbraw/zinc/62/17/25/510621725.db2.gz RLXZOWIHMNWEQF-IAGOWNOFSA-N 1 1 359.470 2.852 10 30 FFEEMO CN(C(=O)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1)C1(C#N)CCCCC1 ZINC000246693612 510621730 /nfs/dbraw/zinc/62/17/30/510621730.db2.gz RLXZOWIHMNWEQF-IAGOWNOFSA-N 1 1 359.470 2.852 10 30 FFEEMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000246930907 510753146 /nfs/dbraw/zinc/75/31/46/510753146.db2.gz ASPWQJUAYMPYTG-IAGOWNOFSA-N 1 1 373.526 2.655 10 30 FFEEMO CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000195280895 510758046 /nfs/dbraw/zinc/75/80/46/510758046.db2.gz OVRVTHVLTNXEQN-IBGZPJMESA-N 1 1 350.466 2.786 10 30 FFEEMO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(CCOc2ccccc2C#N)C1 ZINC000195280895 510758051 /nfs/dbraw/zinc/75/80/51/510758051.db2.gz OVRVTHVLTNXEQN-IBGZPJMESA-N 1 1 350.466 2.786 10 30 FFEEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(CCOc2ccccc2C#N)C1 ZINC000195280895 510758057 /nfs/dbraw/zinc/75/80/57/510758057.db2.gz OVRVTHVLTNXEQN-IBGZPJMESA-N 1 1 350.466 2.786 10 30 FFEEMO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000247059333 510821103 /nfs/dbraw/zinc/82/11/03/510821103.db2.gz GRQZCOLSVGPIIK-CVEARBPZSA-N 1 1 358.511 2.657 10 30 FFEEMO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1 ZINC000328597685 511889919 /nfs/dbraw/zinc/88/99/19/511889919.db2.gz AKLYUUSIUGJNEL-AYBZRNKSSA-N 1 1 356.470 2.721 10 30 FFEEMO CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCc3c[nH]nc3C2)[C@@H]1c1ccccc1 ZINC000329073334 511977484 /nfs/dbraw/zinc/97/74/84/511977484.db2.gz OUHXSWIXHROVPE-UXPWSPDFSA-N 1 1 368.481 2.933 10 30 FFEEMO CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCc3c[nH]nc3C2)[C@@H]1c1ccccc1 ZINC000329073334 511977491 /nfs/dbraw/zinc/97/74/91/511977491.db2.gz OUHXSWIXHROVPE-UXPWSPDFSA-N 1 1 368.481 2.933 10 30 FFEEMO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)N1CCc2cncnc2C1 ZINC000329270139 512017835 /nfs/dbraw/zinc/01/78/35/512017835.db2.gz HEKWGXJDZGQMOZ-GOSISDBHSA-N 1 1 357.502 2.793 10 30 FFEEMO Cn1nccc1[C@H]1[C@H](CNC(=O)N2C[C@@H]3CCCC[C@@H]3C2)CCC[N@H+]1C ZINC000329490784 512057270 /nfs/dbraw/zinc/05/72/70/512057270.db2.gz SPKKEQQSSGBXAU-IMBTUZDBSA-N 1 1 359.518 2.839 10 30 FFEEMO CN(Cc1ccc(F)cc1C#N)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000500406313 515692726 /nfs/dbraw/zinc/69/27/26/515692726.db2.gz CADHBYGHIGMYEI-OXJNMPFZSA-N 1 1 355.461 2.946 10 30 FFEEMO Cn1nccc1[C@H]1[C@H](C[N@H+](C)Cc2ccc(F)cc2C#N)CCCN1C ZINC000500406313 515692733 /nfs/dbraw/zinc/69/27/33/515692733.db2.gz CADHBYGHIGMYEI-OXJNMPFZSA-N 1 1 355.461 2.946 10 30 FFEEMO Cn1nccc1[C@H]1[C@H](C[N@@H+](C)Cc2ccc(F)cc2C#N)CCCN1C ZINC000500406313 515692739 /nfs/dbraw/zinc/69/27/39/515692739.db2.gz CADHBYGHIGMYEI-OXJNMPFZSA-N 1 1 355.461 2.946 10 30 FFEEMO CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000329194216 729796834 /nfs/dbraw/zinc/79/68/34/729796834.db2.gz UOHAHTUJRWWUIU-DOTOQJQBSA-N 1 1 371.547 2.554 10 30 FFEEMO Cc1cc(F)cc2c1ncc(C#N)c2N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000301577732 258056647 /nfs/dbraw/zinc/05/66/47/258056647.db2.gz OHUQIPKUKARXNN-KSSFIOAISA-N 1 1 354.429 2.711 10 30 FFEEMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000072824230 507858804 /nfs/dbraw/zinc/85/88/04/507858804.db2.gz BEWZQQHPYMLGGB-INIZCTEOSA-N 1 1 372.469 2.876 10 30 FFEEMO Cc1cccc(N2CCC(NC(=O)Cc3cccc(OCC#N)c3)CC2)[nH+]1 ZINC000089770750 507864171 /nfs/dbraw/zinc/86/41/71/507864171.db2.gz AMDOQDALBSMWNT-UHFFFAOYSA-N 1 1 364.449 2.620 10 30 FFEEMO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)CCCCC1 ZINC000076075517 508155830 /nfs/dbraw/zinc/15/58/30/508155830.db2.gz MLHVRUAKMBEKRO-RTBURBONSA-N 1 1 355.482 2.917 10 30 FFEEMO CC(C)(C)n1cc(CN2CC[NH+](CCOc3ccccc3C#N)CC2)cn1 ZINC000106144309 508396494 /nfs/dbraw/zinc/39/64/94/508396494.db2.gz IIQOQFFQBKEUCB-UHFFFAOYSA-N 1 1 367.497 2.706 10 30 FFEEMO CC(C)Oc1ccc(NC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc1C#N ZINC000157625102 508589220 /nfs/dbraw/zinc/58/92/20/508589220.db2.gz ZEGJPMQQLQPEKC-QAPCUYQASA-N 1 1 372.469 2.530 10 30 FFEEMO CCOc1cc(C)nc(N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000118398266 508649001 /nfs/dbraw/zinc/64/90/01/508649001.db2.gz RLKYDJNGGPPATH-INIZCTEOSA-N 1 1 351.454 2.939 10 30 FFEEMO CCOc1cc(C)nc(N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000118398267 508649531 /nfs/dbraw/zinc/64/95/31/508649531.db2.gz RLKYDJNGGPPATH-MRXNPFEDSA-N 1 1 351.454 2.939 10 30 FFEEMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000140341732 508803513 /nfs/dbraw/zinc/80/35/13/508803513.db2.gz PREPIRVKBSFHJU-KORINWBMSA-N 1 1 361.530 2.933 10 30 FFEEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000155228493 508953593 /nfs/dbraw/zinc/95/35/93/508953593.db2.gz BORUYXUSSRIHAC-UGSOOPFHSA-N 1 1 370.403 2.872 10 30 FFEEMO N#Cc1ccc(OCCC[N@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000125245936 508954402 /nfs/dbraw/zinc/95/44/02/508954402.db2.gz VIYQHYWQGFARRH-XLIONFOSSA-N 1 1 353.466 2.802 10 30 FFEEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000249151255 509622470 /nfs/dbraw/zinc/62/24/70/509622470.db2.gz HJBFAZDBNIDDSD-ROUUACIJSA-N 1 1 368.481 2.511 10 30 FFEEMO COC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000245406376 509908341 /nfs/dbraw/zinc/90/83/41/509908341.db2.gz XCJCFVOYCSFMIL-ZWKOTPCHSA-N 1 1 371.481 2.824 10 30 FFEEMO COC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000245406376 509908346 /nfs/dbraw/zinc/90/83/46/509908346.db2.gz XCJCFVOYCSFMIL-ZWKOTPCHSA-N 1 1 371.481 2.824 10 30 FFEEMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193646556 510004360 /nfs/dbraw/zinc/00/43/60/510004360.db2.gz YWUSBZPLOLJHCV-OAGGEKHMSA-N 1 1 358.511 2.513 10 30 FFEEMO COc1ccc(CN2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1C#N ZINC000190488291 510161283 /nfs/dbraw/zinc/16/12/83/510161283.db2.gz NBYWCOIJNLXRDZ-IBGZPJMESA-N 1 1 350.466 2.916 10 30 FFEEMO COc1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)cc1C#N ZINC000190488291 510161293 /nfs/dbraw/zinc/16/12/93/510161293.db2.gz NBYWCOIJNLXRDZ-IBGZPJMESA-N 1 1 350.466 2.916 10 30 FFEEMO COc1ccc(C[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)cc1C#N ZINC000190488291 510161299 /nfs/dbraw/zinc/16/12/99/510161299.db2.gz NBYWCOIJNLXRDZ-IBGZPJMESA-N 1 1 350.466 2.916 10 30 FFEEMO Cc1oc(NC(=O)[C@@H](C)N2CCC[C@H]2Cn2cc[nH+]c2C)c(C#N)c1C ZINC000245899641 510195880 /nfs/dbraw/zinc/19/58/80/510195880.db2.gz APRFNNASZCTCNJ-CJNGLKHVSA-N 1 1 355.442 2.765 10 30 FFEEMO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1Cl ZINC000171646696 510274600 /nfs/dbraw/zinc/27/46/00/510274600.db2.gz RIMVPYKGQWDZBW-AWEZNQCLSA-N 1 1 369.856 2.979 10 30 FFEEMO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](CNc3ccccn3)C2)cc1Cl ZINC000171646696 510274605 /nfs/dbraw/zinc/27/46/05/510274605.db2.gz RIMVPYKGQWDZBW-AWEZNQCLSA-N 1 1 369.856 2.979 10 30 FFEEMO CN(C(=O)C[N@H+]1CC[C@@H](CNc2ccccn2)C1)C1(C#N)CCCCC1 ZINC000171645789 510276263 /nfs/dbraw/zinc/27/62/63/510276263.db2.gz YQIZSBWYBLVUPI-KRWDZBQOSA-N 1 1 355.486 2.500 10 30 FFEEMO CCOCC[N@H+]1CCN(c2c(C#N)cnc3c(F)cc(F)cc32)C[C@H]1C ZINC000246074014 510277488 /nfs/dbraw/zinc/27/74/88/510277488.db2.gz FEGAQJOOKCFCJQ-CYBMUJFWSA-N 1 1 360.408 2.932 10 30 FFEEMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247537820 510864848 /nfs/dbraw/zinc/86/48/48/510864848.db2.gz QHPINJAOEHWLCK-HZPDHXFCSA-N 1 1 358.511 2.874 10 30 FFEEMO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000328696678 511916002 /nfs/dbraw/zinc/91/60/02/511916002.db2.gz KYIHFRHVCVUXBT-ZBFHGGJFSA-N 1 1 356.426 2.968 10 30 FFEEMO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000328696678 511916006 /nfs/dbraw/zinc/91/60/06/511916006.db2.gz KYIHFRHVCVUXBT-ZBFHGGJFSA-N 1 1 356.426 2.968 10 30 FFEEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000329011927 511967355 /nfs/dbraw/zinc/96/73/55/511967355.db2.gz DVKBYBSEGYDJRW-DNVCBOLYSA-N 1 1 355.482 2.722 10 30 FFEEMO C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000329105017 511984611 /nfs/dbraw/zinc/98/46/11/511984611.db2.gz GWWJQDNWGPMXID-WBVHZDCISA-N 1 1 359.470 2.821 10 30 FFEEMO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000329185038 512001392 /nfs/dbraw/zinc/00/13/92/512001392.db2.gz PITUDKVCNGXQAJ-YRGVVPAESA-N 1 1 355.482 2.720 10 30 FFEEMO C[N@H+]1CCO[C@H]2CCN(c3c(C#N)cnc4c(F)ccc(Cl)c43)C[C@@H]21 ZINC000285249402 512052533 /nfs/dbraw/zinc/05/25/33/512052533.db2.gz ZBCWDGKEZMGJDM-GJZGRUSLSA-N 1 1 360.820 2.808 10 30 FFEEMO C[C@@H]1CC(CNC(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC000329794553 512098219 /nfs/dbraw/zinc/09/82/19/512098219.db2.gz CDKDINUZVODBMY-ZQOJQMTGSA-N 1 1 367.534 2.678 10 30 FFEEMO C[C@@H]1CC(CNC(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC000329794553 512098221 /nfs/dbraw/zinc/09/82/21/512098221.db2.gz CDKDINUZVODBMY-ZQOJQMTGSA-N 1 1 367.534 2.678 10 30 FFEEMO Cc1nc(C)n(C[C@@H]2CCCN(C([O-])=[NH+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)n1 ZINC000329800590 512098574 /nfs/dbraw/zinc/09/85/74/512098574.db2.gz IREWHNCPYFYHEC-MVCQKVDPSA-N 1 1 374.533 2.536 10 30 FFEEMO Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)n1 ZINC000329800590 512098575 /nfs/dbraw/zinc/09/85/75/512098575.db2.gz IREWHNCPYFYHEC-MVCQKVDPSA-N 1 1 374.533 2.536 10 30 FFEEMO Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)n1 ZINC000329800590 512098576 /nfs/dbraw/zinc/09/85/76/512098576.db2.gz IREWHNCPYFYHEC-MVCQKVDPSA-N 1 1 374.533 2.536 10 30 FFEEMO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)CC[N@H+]1C ZINC000329676392 967934266 /nfs/dbraw/zinc/93/42/66/967934266.db2.gz UTZOPQCUSRZPOY-OWCLPIDISA-N 1 1 361.534 2.824 10 30 FFEEMO C[C@@H]1C[C@H](N(C)C([O-])=[NH+][C@H]2CCc3nc(C(C)(C)C)cn3C2)CC[N@@H+]1C ZINC000329676392 967934273 /nfs/dbraw/zinc/93/42/73/967934273.db2.gz UTZOPQCUSRZPOY-OWCLPIDISA-N 1 1 361.534 2.824 10 30 FFEEMO C[C@@H]1C[C@H](N(C)C([O-])=[NH+][C@H]2CCc3nc(C(C)(C)C)cn3C2)CC[N@H+]1C ZINC000329676392 967934278 /nfs/dbraw/zinc/93/42/78/967934278.db2.gz UTZOPQCUSRZPOY-OWCLPIDISA-N 1 1 361.534 2.824 10 30 FFEEMO COCC[N@H+]1CCC[C@@]2(CCN(Cc3ccc(C#CC(C)(C)O)cc3)C2)C1 ZINC000011818581 210139365 /nfs/dbraw/zinc/13/93/65/210139365.db2.gz KBRLLEUAWIBVEM-HSZRJFAPSA-N 1 1 370.537 2.743 10 30 FFEEMO COCCN1CCC[C@@]2(CC[N@H+](Cc3ccc(C#CC(C)(C)O)cc3)C2)C1 ZINC000011818581 210139387 /nfs/dbraw/zinc/13/93/87/210139387.db2.gz KBRLLEUAWIBVEM-HSZRJFAPSA-N 1 1 370.537 2.743 10 30 FFEEMO COCCN1CCC[C@@]2(CC[N@@H+](Cc3ccc(C#CC(C)(C)O)cc3)C2)C1 ZINC000011818581 210139393 /nfs/dbraw/zinc/13/93/93/210139393.db2.gz KBRLLEUAWIBVEM-HSZRJFAPSA-N 1 1 370.537 2.743 10 30 FFEEMO CCc1nccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000106217276 250259360 /nfs/dbraw/zinc/25/93/60/250259360.db2.gz RLEKSXGVSYBLQP-YJBOKZPZSA-N 1 1 351.454 2.981 10 30 FFEEMO CCc1nccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000106217276 250259362 /nfs/dbraw/zinc/25/93/62/250259362.db2.gz RLEKSXGVSYBLQP-YJBOKZPZSA-N 1 1 351.454 2.981 10 30 FFEEMO N#Cc1ccc(OC(F)F)c(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000105036565 508357813 /nfs/dbraw/zinc/35/78/13/508357813.db2.gz NFQJJFJZNUPJSF-CYBMUJFWSA-N 1 1 350.369 2.862 10 30 FFEEMO Cn1cc(C[N@@H+]2CCCN(C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cn1 ZINC000136726439 508712496 /nfs/dbraw/zinc/71/24/96/508712496.db2.gz UIYIOKUBJOKXQF-UHFFFAOYSA-N 1 1 372.860 2.685 10 30 FFEEMO Cn1cc(C[N@H+]2CCCN(C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cn1 ZINC000136726439 508712501 /nfs/dbraw/zinc/71/25/01/508712501.db2.gz UIYIOKUBJOKXQF-UHFFFAOYSA-N 1 1 372.860 2.685 10 30 FFEEMO CC[C@@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@H+]1CCOC ZINC000159928715 508912640 /nfs/dbraw/zinc/91/26/40/508912640.db2.gz NQWCSUHVNCVCNV-QGZVFWFLSA-N 1 1 370.415 2.979 10 30 FFEEMO CCn1cc(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)cn1 ZINC000195500314 509193694 /nfs/dbraw/zinc/19/36/94/509193694.db2.gz GCASJFZGZMFFDZ-OAHLLOKOSA-N 1 1 351.454 2.981 10 30 FFEEMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173312481 509524166 /nfs/dbraw/zinc/52/41/66/509524166.db2.gz LDWHTUNHTRQHTH-CAZWYBIWSA-N 1 1 357.502 2.876 10 30 FFEEMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173312481 509524170 /nfs/dbraw/zinc/52/41/70/509524170.db2.gz LDWHTUNHTRQHTH-CAZWYBIWSA-N 1 1 357.502 2.876 10 30 FFEEMO Cc1ccc(N2CCC(NC(=O)NCc3cc(C#N)ccc3F)CC2)[nH+]c1 ZINC000173375406 509561897 /nfs/dbraw/zinc/56/18/97/509561897.db2.gz BMGLKKMYLDPXMU-UHFFFAOYSA-N 1 1 367.428 2.869 10 30 FFEEMO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)C[C@H]1C ZINC000249018824 509573517 /nfs/dbraw/zinc/57/35/17/509573517.db2.gz KMFHJZUOCPMCGA-BXUZGUMPSA-N 1 1 351.244 2.952 10 30 FFEEMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C[C@H]1C ZINC000249018824 509573521 /nfs/dbraw/zinc/57/35/21/509573521.db2.gz KMFHJZUOCPMCGA-BXUZGUMPSA-N 1 1 351.244 2.952 10 30 FFEEMO C=C(C)COc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)c1 ZINC000249152694 509624286 /nfs/dbraw/zinc/62/42/86/509624286.db2.gz HQEUWGQLMLWZCF-ROUUACIJSA-N 1 1 371.481 2.665 10 30 FFEEMO CC[C@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)CC[N@H+]1CCOC ZINC000252692462 509857749 /nfs/dbraw/zinc/85/77/49/509857749.db2.gz LYCUERQAQHQUEX-RBUKOAKNSA-N 1 1 358.486 2.784 10 30 FFEEMO C[N@@H+](CCCOc1ccc(C#N)cc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000170940246 509859865 /nfs/dbraw/zinc/85/98/65/509859865.db2.gz RWAVWSXXVRNPGB-SFHVURJKSA-N 1 1 351.454 2.718 10 30 FFEEMO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@H](Oc4cccnc4)C3)C2=O)cc1 ZINC000245528614 509985033 /nfs/dbraw/zinc/98/50/33/509985033.db2.gz QTVRSTQRVYIYRE-PMACEKPBSA-N 1 1 362.433 2.602 10 30 FFEEMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@H](Oc4cccnc4)C3)C2=O)cc1 ZINC000245528614 509985044 /nfs/dbraw/zinc/98/50/44/509985044.db2.gz QTVRSTQRVYIYRE-PMACEKPBSA-N 1 1 362.433 2.602 10 30 FFEEMO C=C(C)COc1cccc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2CC)c1 ZINC000190353079 510080725 /nfs/dbraw/zinc/08/07/25/510080725.db2.gz HQEUWGQLMLWZCF-QZTJIDSGSA-N 1 1 371.481 2.665 10 30 FFEEMO CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCCSCC#N)CC1 ZINC000190500597 510168824 /nfs/dbraw/zinc/16/88/24/510168824.db2.gz YOBDYMKLNZVKQH-INIZCTEOSA-N 1 1 355.548 2.761 10 30 FFEEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cccc(F)c2C#N)C1 ZINC000190583816 510222796 /nfs/dbraw/zinc/22/27/96/510222796.db2.gz LPLDRZMLZCEPRB-INIZCTEOSA-N 1 1 352.413 2.686 10 30 FFEEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C#N)ccc1OCCOC ZINC000184609313 510415051 /nfs/dbraw/zinc/41/50/51/510415051.db2.gz ABFNSOFOIDQQSF-IAGOWNOFSA-N 1 1 372.469 2.674 10 30 FFEEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000247404766 510859760 /nfs/dbraw/zinc/85/97/60/510859760.db2.gz RHKTXINTBHBGGG-IEBWSBKVSA-N 1 1 370.497 2.558 10 30 FFEEMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000333464144 511252668 /nfs/dbraw/zinc/25/26/68/511252668.db2.gz QGPOBJYOHHYLNY-MUGJNUQGSA-N 1 1 372.513 2.697 10 30 FFEEMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000333720635 511334284 /nfs/dbraw/zinc/33/42/84/511334284.db2.gz RHXRRQYDKXUTNK-CDXJDZJCSA-N 1 1 369.513 2.735 10 30 FFEEMO O=C(C[N@@H+]1CCCN(c2cccnn2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000329162608 511996006 /nfs/dbraw/zinc/99/60/06/511996006.db2.gz ZRTGVXXTOCZIPU-UHFFFAOYSA-N 1 1 369.513 2.914 10 30 FFEEMO O=C(C[N@H+]1CCCN(c2cccnn2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000329162608 511996012 /nfs/dbraw/zinc/99/60/12/511996012.db2.gz ZRTGVXXTOCZIPU-UHFFFAOYSA-N 1 1 369.513 2.914 10 30 FFEEMO COc1cccc([C@@H]2[C@H](NC(=O)N[C@@H]3CCO[C@@H]3C)CC[N@H+]2C2CC2)c1 ZINC000329226705 512008900 /nfs/dbraw/zinc/00/89/00/512008900.db2.gz APMWBSVQOFNPAI-BYNBJNPRSA-N 1 1 359.470 2.654 10 30 FFEEMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329627332 512078807 /nfs/dbraw/zinc/07/88/07/512078807.db2.gz GXNPPUSUSYQMJM-NXWXRZEISA-N 1 1 370.497 2.862 10 30 FFEEMO CC(=O)N1C[C@H](CCC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c2ccccc21 ZINC000329633167 512079274 /nfs/dbraw/zinc/07/92/74/512079274.db2.gz SFWFQWWTNMJDQO-NUJGCVRESA-N 1 1 373.497 2.983 10 30 FFEEMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CC[C@@H](CCO)C1 ZINC000329774931 512096566 /nfs/dbraw/zinc/09/65/66/512096566.db2.gz MPZJPNUUKBFCOI-HOTGVXAUSA-N 1 1 351.516 2.578 10 30 FFEEMO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000333260094 978087819 /nfs/dbraw/zinc/08/78/19/978087819.db2.gz CIVWJJOMYGYLKW-NVXWUHKLSA-N 1 1 369.465 2.625 10 30 FFEEMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000252652244 251311067 /nfs/dbraw/zinc/31/10/67/251311067.db2.gz IXMWSVBJCSCRAA-ZHALLVOQSA-N 1 1 372.490 2.948 10 30 FFEEMO CC[NH+]1CCC[C@H](Nc2ccc(C#N)c(N[C@@H]3CCC[N@H+](CC)C3)n2)C1 ZINC000302828327 258111749 /nfs/dbraw/zinc/11/17/49/258111749.db2.gz IOLHRPSWEBJGDY-ZWKOTPCHSA-N 1 1 356.518 2.746 10 30 FFEEMO CC[NH+]1CCC[C@H](Nc2ccc(C#N)c(N[C@@H]3CCC[N@@H+](CC)C3)n2)C1 ZINC000302828327 258111750 /nfs/dbraw/zinc/11/17/50/258111750.db2.gz IOLHRPSWEBJGDY-ZWKOTPCHSA-N 1 1 356.518 2.746 10 30 FFEEMO N#Cc1c(NC(=O)C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)sc2c1CCCCC2 ZINC000333197998 258255462 /nfs/dbraw/zinc/25/54/62/258255462.db2.gz WTAXPYNLSBQOOB-SOUVJXGZSA-N 1 1 373.522 2.920 10 30 FFEEMO N#Cc1c(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)sc2c1CCCCC2 ZINC000333197998 258255463 /nfs/dbraw/zinc/25/54/63/258255463.db2.gz WTAXPYNLSBQOOB-SOUVJXGZSA-N 1 1 373.522 2.920 10 30 FFEEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccccc2C#N)C1 ZINC000109677356 507979842 /nfs/dbraw/zinc/97/98/42/507979842.db2.gz CSTOARHTLFSMLT-NVXWUHKLSA-N 1 1 352.438 2.948 10 30 FFEEMO COc1ccc([C@H]2C[C@@H](C)[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)cc1 ZINC000076390720 508198872 /nfs/dbraw/zinc/19/88/72/508198872.db2.gz AUZUSOYXKHPGPC-AEFFLSMTSA-N 1 1 354.454 2.529 10 30 FFEEMO N#CCCN(C(=O)C[NH+]1CCC(n2cncn2)CC1)c1cccc(Cl)c1 ZINC000157769182 508608937 /nfs/dbraw/zinc/60/89/37/508608937.db2.gz OJWZTMBUPZWHJY-UHFFFAOYSA-N 1 1 372.860 2.515 10 30 FFEEMO C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccccc1Br ZINC000126662834 509109685 /nfs/dbraw/zinc/10/96/85/509109685.db2.gz JYYBFNWGRKVDGS-ZDUSSCGKSA-N 1 1 363.259 2.756 10 30 FFEEMO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](CNc4ccccn4)C3)o2)cc1 ZINC000173778949 509770931 /nfs/dbraw/zinc/77/09/31/509770931.db2.gz MZJRXEHQXMPWLX-INIZCTEOSA-N 1 1 360.421 2.937 10 30 FFEEMO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H](CNc4ccccn4)C3)o2)cc1 ZINC000173778949 509770937 /nfs/dbraw/zinc/77/09/37/509770937.db2.gz MZJRXEHQXMPWLX-INIZCTEOSA-N 1 1 360.421 2.937 10 30 FFEEMO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC000252692429 509858421 /nfs/dbraw/zinc/85/84/21/509858421.db2.gz LVUQYUYNHNEACK-NLWGTHIKSA-N 1 1 359.445 2.522 10 30 FFEEMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C#N)cs2)C1 ZINC000190556994 510204838 /nfs/dbraw/zinc/20/48/38/510204838.db2.gz DDMODUSUODECOB-ZDUSSCGKSA-N 1 1 360.508 2.979 10 30 FFEEMO CC[N@H+]1CCC[C@H]1CN(C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000177708755 510209347 /nfs/dbraw/zinc/20/93/47/510209347.db2.gz VHVCXCDUFMVXGL-AWEZNQCLSA-N 1 1 360.527 2.853 10 30 FFEEMO CCN1CCC[C@H]1C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000177708755 510209354 /nfs/dbraw/zinc/20/93/54/510209354.db2.gz VHVCXCDUFMVXGL-AWEZNQCLSA-N 1 1 360.527 2.853 10 30 FFEEMO CCN1CCC[C@H]1C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000177708755 510209362 /nfs/dbraw/zinc/20/93/62/510209362.db2.gz VHVCXCDUFMVXGL-AWEZNQCLSA-N 1 1 360.527 2.853 10 30 FFEEMO CC[C@@H]1CN(Cc2ccc(C#N)cc2Br)CC[N@H+]1CCOC ZINC000181095124 510272957 /nfs/dbraw/zinc/27/29/57/510272957.db2.gz WPGQZMKCLFVRCY-MRXNPFEDSA-N 1 1 366.303 2.863 10 30 FFEEMO N#Cc1c2c(sc1NC(=O)CCN1CC[N@H+]3CCCC[C@@H]3C1)CCC2 ZINC000246133091 510311192 /nfs/dbraw/zinc/31/11/92/510311192.db2.gz CPNSBYNACMNHKD-CQSZACIVSA-N 1 1 358.511 2.607 10 30 FFEEMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCN3CCCC[C@@H]3C1)CCC2 ZINC000246133091 510311202 /nfs/dbraw/zinc/31/12/02/510311202.db2.gz CPNSBYNACMNHKD-CQSZACIVSA-N 1 1 358.511 2.607 10 30 FFEEMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCN3CCCC[C@@H]3C1)CCC2 ZINC000246133091 510311212 /nfs/dbraw/zinc/31/12/12/510311212.db2.gz CPNSBYNACMNHKD-CQSZACIVSA-N 1 1 358.511 2.607 10 30 FFEEMO N#Cc1cccc(OCCC[NH+]2CCN(C[C@H](O)c3ccccc3)CC2)c1 ZINC000178317947 510543304 /nfs/dbraw/zinc/54/33/04/510543304.db2.gz PKYVJWURWRLLTM-QFIPXVFZSA-N 1 1 365.477 2.678 10 30 FFEEMO C#CCOc1ccccc1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000188041696 510564401 /nfs/dbraw/zinc/56/44/01/510564401.db2.gz KHYQQBXLILWPJD-UHFFFAOYSA-N 1 1 352.438 2.919 10 30 FFEEMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000246930884 510752626 /nfs/dbraw/zinc/75/26/26/510752626.db2.gz ASPWQJUAYMPYTG-DLBZAZTESA-N 1 1 373.526 2.655 10 30 FFEEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000247239964 510853894 /nfs/dbraw/zinc/85/38/94/510853894.db2.gz NAEKUTVIFMMBBG-KBPBESRZSA-N 1 1 358.511 2.606 10 30 FFEEMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000247734363 510869127 /nfs/dbraw/zinc/86/91/27/510869127.db2.gz MOZSQHYPFZDPBI-PKOBYXMFSA-N 1 1 366.469 2.559 10 30 FFEEMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000247734363 510869128 /nfs/dbraw/zinc/86/91/28/510869128.db2.gz MOZSQHYPFZDPBI-PKOBYXMFSA-N 1 1 366.469 2.559 10 30 FFEEMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2[C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000281576365 511896673 /nfs/dbraw/zinc/89/66/73/511896673.db2.gz ZLWVZYYDBCWATK-PQLHGUBISA-N 1 1 367.493 2.925 10 30 FFEEMO C[N@@H+]1CCN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)[C@@H](c2ccccc2)C1 ZINC000328724136 511921239 /nfs/dbraw/zinc/92/12/39/511921239.db2.gz YJJMFXNJLKJSCC-IAGOWNOFSA-N 1 1 356.470 2.931 10 30 FFEEMO C[N@H+]1CCN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)[C@@H](c2ccccc2)C1 ZINC000328724136 511921241 /nfs/dbraw/zinc/92/12/41/511921241.db2.gz YJJMFXNJLKJSCC-IAGOWNOFSA-N 1 1 356.470 2.931 10 30 FFEEMO C[N@H+]1CCO[C@@H]2CCN(c3c(C#N)cnc4c(F)ccc(Cl)c43)C[C@@H]21 ZINC000285249413 512053013 /nfs/dbraw/zinc/05/30/13/512053013.db2.gz ZBCWDGKEZMGJDM-LSDHHAIUSA-N 1 1 360.820 2.808 10 30 FFEEMO C=CCn1c2ccccc2n(CN2CC[N@H+](CCOC)[C@H](C)C2)c1=S ZINC000117322411 728577435 /nfs/dbraw/zinc/57/74/35/728577435.db2.gz SRNYWEZIPOEJQM-MRXNPFEDSA-N 1 1 360.527 2.968 10 30 FFEEMO O=C(CNC(=O)[C@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2)N1CCCC1 ZINC000329298499 967631700 /nfs/dbraw/zinc/63/17/00/967631700.db2.gz UKTUUWZUOIOMAE-NQIIRXRSSA-N 1 1 355.482 2.868 10 30 FFEEMO CN(C)C(=O)Nc1cccc(-c2nc([C@@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)c1 ZINC000329684315 967940189 /nfs/dbraw/zinc/94/01/89/967940189.db2.gz UEXXZLBLMBOGJZ-HNAYVOBHSA-N 1 1 371.441 2.770 10 30 FFEEMO C=CCOc1cccc(NC(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000126036246 981183236 /nfs/dbraw/zinc/18/32/36/981183236.db2.gz LBVKHGIXOKXDGE-LJQANCHMSA-N 1 1 372.513 2.885 10 30 FFEEMO CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000066998117 506720408 /nfs/dbraw/zinc/72/04/08/506720408.db2.gz KWSSAZIOGXICHK-GJZGRUSLSA-N 1 1 374.510 2.620 10 30 FFEEMO C=CCC[C@@H](C[N@@H+](C)Cc1cccnc1)Oc1ncc(F)c(N(C)C)n1 ZINC000072434241 507791034 /nfs/dbraw/zinc/79/10/34/507791034.db2.gz MBQVCAHUQVSGKL-INIZCTEOSA-N 1 1 359.449 2.922 10 30 FFEEMO COc1cc(OC)cc([C@H]2CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)c1 ZINC000083402765 508243900 /nfs/dbraw/zinc/24/39/00/508243900.db2.gz MWLRGESPRSQMHK-MGPUTAFESA-N 1 1 359.470 2.548 10 30 FFEEMO COc1cc(OC)cc([C@H]2CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)c1 ZINC000083402765 508243902 /nfs/dbraw/zinc/24/39/02/508243902.db2.gz MWLRGESPRSQMHK-MGPUTAFESA-N 1 1 359.470 2.548 10 30 FFEEMO C=CCn1c(C)cc(C(=O)CN2CC[N@@H+](CCOCC)[C@@H](CC)C2)c1C ZINC000106118402 508395373 /nfs/dbraw/zinc/39/53/73/508395373.db2.gz LNSKGXXHEIJFBO-IBGZPJMESA-N 1 1 361.530 2.906 10 30 FFEEMO C=CCn1c(C)cc(C(=O)CN2CC[N@H+](CCOCC)[C@@H](CC)C2)c1C ZINC000106118402 508395376 /nfs/dbraw/zinc/39/53/76/508395376.db2.gz LNSKGXXHEIJFBO-IBGZPJMESA-N 1 1 361.530 2.906 10 30 FFEEMO COCC[N@@H+]1CCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C[C@H]1C ZINC000157694870 508598624 /nfs/dbraw/zinc/59/86/24/508598624.db2.gz BDTVNVYZKNATSI-OAHLLOKOSA-N 1 1 360.458 2.530 10 30 FFEEMO COCC[N@H+]1CCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C[C@H]1C ZINC000157694870 508598630 /nfs/dbraw/zinc/59/86/30/508598630.db2.gz BDTVNVYZKNATSI-OAHLLOKOSA-N 1 1 360.458 2.530 10 30 FFEEMO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1Br ZINC000124672290 508867409 /nfs/dbraw/zinc/86/74/09/508867409.db2.gz XLIDTDUTRZMIIE-MNOVXSKESA-N 1 1 354.248 2.500 10 30 FFEEMO C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000119938169 508893967 /nfs/dbraw/zinc/89/39/67/508893967.db2.gz ZVGDDTFWWIBBRY-QGZVFWFLSA-N 1 1 363.870 2.793 10 30 FFEEMO COCC[N@H+]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H]1C ZINC000120786978 509064240 /nfs/dbraw/zinc/06/42/40/509064240.db2.gz IOJQRAWLUAGJNM-SFHVURJKSA-N 1 1 367.497 2.616 10 30 FFEEMO COCCN1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H]1C ZINC000120786978 509064245 /nfs/dbraw/zinc/06/42/45/509064245.db2.gz IOJQRAWLUAGJNM-SFHVURJKSA-N 1 1 367.497 2.616 10 30 FFEEMO COCCN1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H]1C ZINC000120786978 509064249 /nfs/dbraw/zinc/06/42/49/509064249.db2.gz IOJQRAWLUAGJNM-SFHVURJKSA-N 1 1 367.497 2.616 10 30 FFEEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C#N)ccc1OCCOC ZINC000248429505 509314890 /nfs/dbraw/zinc/31/48/90/509314890.db2.gz ABFNSOFOIDQQSF-SJORKVTESA-N 1 1 372.469 2.674 10 30 FFEEMO C=CCNC(=O)c1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)cc1 ZINC000245436311 509931237 /nfs/dbraw/zinc/93/12/37/509931237.db2.gz UZUPDTOKALQIQL-ROUUACIJSA-N 1 1 356.470 2.693 10 30 FFEEMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000245693644 510090514 /nfs/dbraw/zinc/09/05/14/510090514.db2.gz BXJUQEPJNGJBEJ-AEFFLSMTSA-N 1 1 351.454 2.868 10 30 FFEEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000246080274 510279599 /nfs/dbraw/zinc/27/95/99/510279599.db2.gz HVUJIRJUDDMQNF-YPMHNXCESA-N 1 1 350.369 2.860 10 30 FFEEMO CC[N@H+]1CCC[C@H]1CN(C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000175338567 510596332 /nfs/dbraw/zinc/59/63/32/510596332.db2.gz WKQXTKCRMLEFLV-IBGZPJMESA-N 1 1 356.514 2.966 10 30 FFEEMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000247196882 510850541 /nfs/dbraw/zinc/85/05/41/510850541.db2.gz BRDJILQNTBJKOC-LAUBAEHRSA-N 1 1 363.461 2.734 10 30 FFEEMO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000333464139 511252437 /nfs/dbraw/zinc/25/24/37/511252437.db2.gz QGPOBJYOHHYLNY-FUMNGEBKSA-N 1 1 372.513 2.697 10 30 FFEEMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2[C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000281417323 511840375 /nfs/dbraw/zinc/84/03/75/511840375.db2.gz ONSZRUPQEKDHFK-WJNMYVKJSA-N 1 1 373.522 2.987 10 30 FFEEMO C[N@H+]1CCO[C@@H]2CCN(c3c(C#N)cnc4c(F)ccc(Cl)c43)C[C@H]21 ZINC000285249407 512052656 /nfs/dbraw/zinc/05/26/56/512052656.db2.gz ZBCWDGKEZMGJDM-HUUCEWRRSA-N 1 1 360.820 2.808 10 30 FFEEMO Cc1cnn(CC2CCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000329793467 512098296 /nfs/dbraw/zinc/09/82/96/512098296.db2.gz BBOPICCKXOXNLL-YQQQUEKLSA-N 1 1 359.518 2.833 10 30 FFEEMO CC(=O)N[C@@]1(c2nc(C)cs2)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000548011109 516694917 /nfs/dbraw/zinc/69/49/17/516694917.db2.gz WAMMJWIKRCDZLR-SFHVURJKSA-N 1 1 358.442 2.700 10 30 FFEEMO CC(=O)N[C@@]1(c2nc(C)cs2)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000548011109 516694923 /nfs/dbraw/zinc/69/49/23/516694923.db2.gz WAMMJWIKRCDZLR-SFHVURJKSA-N 1 1 358.442 2.700 10 30 FFEEMO C[N@@H+](CCNC(=O)[C@H]1CSCN1C(=O)C1CCC1)C1CCCCC1 ZINC000329193520 729796844 /nfs/dbraw/zinc/79/68/44/729796844.db2.gz UDNBYMQFACLJQD-MRXNPFEDSA-N 1 1 353.532 2.909 10 30 FFEEMO CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N[C@@H]1CC[N@H+]3CCCC[C@@H]13)C2 ZINC000329292881 967625622 /nfs/dbraw/zinc/62/56/22/967625622.db2.gz RJKWQSJHHZHDKN-XHSDSOJGSA-N 1 1 359.518 2.626 10 30 FFEEMO C=CCC[C@@H](C[N@@H+](C)CCN(C)C)Oc1ccc(-c2nc(C)no2)cn1 ZINC000072453559 210066101 /nfs/dbraw/zinc/06/61/01/210066101.db2.gz DLOLKQZWDKAHIN-KRWDZBQOSA-N 1 1 359.474 2.647 10 30 FFEEMO C=CCC[C@@H](C[N@H+](C)CCN(C)C)Oc1ccc(-c2nc(C)no2)cn1 ZINC000072453559 210066103 /nfs/dbraw/zinc/06/61/03/210066103.db2.gz DLOLKQZWDKAHIN-KRWDZBQOSA-N 1 1 359.474 2.647 10 30 FFEEMO C=CCC[C@@H](C[N@H+]1CCCOCC1)Oc1ccc(Cn2ccnc2)cn1 ZINC000072411679 210066129 /nfs/dbraw/zinc/06/61/29/210066129.db2.gz HOUVQCCNNVKJAP-IBGZPJMESA-N 1 1 356.470 2.762 10 30 FFEEMO Cc1nc(C)n(C[C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)n1 ZINC000106179324 250248628 /nfs/dbraw/zinc/24/86/28/250248628.db2.gz JWSMUYHXUUVKEY-YOEHRIQHSA-N 1 1 366.469 2.506 10 30 FFEEMO Cc1ccc(N2CCC(NC(=O)c3c(F)cc(C#N)cc3F)CC2)[nH+]c1 ZINC000152967531 251086182 /nfs/dbraw/zinc/08/61/82/251086182.db2.gz YBOVGIPBQZBINU-UHFFFAOYSA-N 1 1 356.376 2.939 10 30 FFEEMO C=CCOc1ccccc1CNC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000111886003 508133976 /nfs/dbraw/zinc/13/39/76/508133976.db2.gz NOXXKKPWIXYTSZ-QGZVFWFLSA-N 1 1 373.497 2.646 10 30 FFEEMO CCCn1cc(C[N@@H+]2CCCN(C(=O)Nc3cccc(C#N)c3)CC2)cn1 ZINC000121891725 508442578 /nfs/dbraw/zinc/44/25/78/508442578.db2.gz PHINERBPTQULHF-UHFFFAOYSA-N 1 1 366.469 2.905 10 30 FFEEMO CCCn1cc(C[N@H+]2CCCN(C(=O)Nc3cccc(C#N)c3)CC2)cn1 ZINC000121891725 508442581 /nfs/dbraw/zinc/44/25/81/508442581.db2.gz PHINERBPTQULHF-UHFFFAOYSA-N 1 1 366.469 2.905 10 30 FFEEMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116321231 508499309 /nfs/dbraw/zinc/49/93/09/508499309.db2.gz VPXHWBBQMPLOED-STQMWFEESA-N 1 1 369.494 2.658 10 30 FFEEMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116321231 508499312 /nfs/dbraw/zinc/49/93/12/508499312.db2.gz VPXHWBBQMPLOED-STQMWFEESA-N 1 1 369.494 2.658 10 30 FFEEMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116319866 508499625 /nfs/dbraw/zinc/49/96/25/508499625.db2.gz YKEZKXIAPIJEDH-JSGCOSHPSA-N 1 1 357.845 2.762 10 30 FFEEMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116319866 508499628 /nfs/dbraw/zinc/49/96/28/508499628.db2.gz YKEZKXIAPIJEDH-JSGCOSHPSA-N 1 1 357.845 2.762 10 30 FFEEMO CC(C)[N@@H+]1C[C@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)[C@@H](C)C1 ZINC000158977074 508776100 /nfs/dbraw/zinc/77/61/00/508776100.db2.gz RHKTXINTBHBGGG-HKUYNNGSSA-N 1 1 370.497 2.558 10 30 FFEEMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000191791598 509182892 /nfs/dbraw/zinc/18/28/92/509182892.db2.gz OJXZLYXZKGXLLB-AWEZNQCLSA-N 1 1 360.259 2.824 10 30 FFEEMO C[N@H+](CC(=O)OC(C)(C)C)C1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000191979874 509275278 /nfs/dbraw/zinc/27/52/78/509275278.db2.gz YZEWUYDIANAWRT-UHFFFAOYSA-N 1 1 361.461 2.935 10 30 FFEEMO C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000191979874 509275283 /nfs/dbraw/zinc/27/52/83/509275283.db2.gz YZEWUYDIANAWRT-UHFFFAOYSA-N 1 1 361.461 2.935 10 30 FFEEMO CC[C@@H]1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC[N@H+]1C[C@H](C)O ZINC000248491763 509342515 /nfs/dbraw/zinc/34/25/15/509342515.db2.gz OFBIBGVRLDOPAZ-UHOSZYNNSA-N 1 1 358.486 2.518 10 30 FFEEMO N#CCCN(C(=O)CN1CC[N@H+]2CCCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000163524708 509388526 /nfs/dbraw/zinc/38/85/26/509388526.db2.gz XZFDMTYLCTVOHN-GOSISDBHSA-N 1 1 360.889 2.757 10 30 FFEEMO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@H](Oc4cccnc4)C3)C2=O)cc1 ZINC000182853595 509460933 /nfs/dbraw/zinc/46/09/33/509460933.db2.gz QTVRSTQRVYIYRE-VQTJNVASSA-N 1 1 362.433 2.602 10 30 FFEEMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@H](Oc4cccnc4)C3)C2=O)cc1 ZINC000182853595 509460938 /nfs/dbraw/zinc/46/09/38/509460938.db2.gz QTVRSTQRVYIYRE-VQTJNVASSA-N 1 1 362.433 2.602 10 30 FFEEMO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000170987724 509878124 /nfs/dbraw/zinc/87/81/24/509878124.db2.gz GRQZCOLSVGPIIK-HZPDHXFCSA-N 1 1 358.511 2.657 10 30 FFEEMO CCOCC[N@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OCC)C[C@H]1CC ZINC000190051343 509909598 /nfs/dbraw/zinc/90/95/98/509909598.db2.gz OPCOTJFEYHEVMG-QGZVFWFLSA-N 1 1 374.485 2.922 10 30 FFEEMO C[C@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@@H]4C[N@H+](C)C[C@@H]4C3)sc2C1 ZINC000193642166 510002325 /nfs/dbraw/zinc/00/23/25/510002325.db2.gz UTGLMAWOIJWETG-SOUVJXGZSA-N 1 1 372.538 2.567 10 30 FFEEMO COCCOc1ccc(C#N)cc1NC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000184616774 510418716 /nfs/dbraw/zinc/41/87/16/510418716.db2.gz SBWGPOUBZFOWAJ-QGZVFWFLSA-N 1 1 374.485 2.825 10 30 FFEEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000247537072 510864941 /nfs/dbraw/zinc/86/49/41/510864941.db2.gz YBPHNWLFUNHRQI-QAPCUYQASA-N 1 1 360.889 2.755 10 30 FFEEMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)N[C@H]1CSC1(C)C ZINC000329206243 512005565 /nfs/dbraw/zinc/00/55/65/512005565.db2.gz XJHZFTRHLCYAJM-CWRNSKLLSA-N 1 1 365.547 2.543 10 30 FFEEMO C[C@H](CN1CCN(C)CC1)NC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000329335058 512029265 /nfs/dbraw/zinc/02/92/65/512029265.db2.gz XQEOKFABUDHXNT-CZUORRHYSA-N 1 1 362.499 2.731 10 30 FFEEMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000329335058 512029269 /nfs/dbraw/zinc/02/92/69/512029269.db2.gz XQEOKFABUDHXNT-CZUORRHYSA-N 1 1 362.499 2.731 10 30 FFEEMO Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCC[C@@H]2C2CCC2)CCC[N@H+]1C ZINC000329409110 512040829 /nfs/dbraw/zinc/04/08/29/512040829.db2.gz BNJIQCNBEQWLPR-YQVWRLOYSA-N 1 1 359.518 2.982 10 30 FFEEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000329532540 512065242 /nfs/dbraw/zinc/06/52/42/512065242.db2.gz JZIISRWLPXZSCR-GUDVDZBRSA-N 1 1 363.477 2.968 10 30 FFEEMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCn2ccnc2C1 ZINC000329839199 512103088 /nfs/dbraw/zinc/10/30/88/512103088.db2.gz MUTIUQUQIXTAJJ-YQQQUEKLSA-N 1 1 365.481 2.808 10 30 FFEEMO N#Cc1c(NC(=O)CC[N@H+]2C[C@@H](F)C[C@@H]2CO)sc2c1CCCCC2 ZINC000372514171 512911607 /nfs/dbraw/zinc/91/16/07/512911607.db2.gz MODURBGDRSOOEY-QWHCGFSZSA-N 1 1 365.474 2.622 10 30 FFEEMO N#Cc1c(NC(=O)CC[N@@H+]2C[C@@H](F)C[C@@H]2CO)sc2c1CCCCC2 ZINC000372514171 512911609 /nfs/dbraw/zinc/91/16/09/512911609.db2.gz MODURBGDRSOOEY-QWHCGFSZSA-N 1 1 365.474 2.622 10 30 FFEEMO C=CCn1c2ccccc2n(CN2CC[C@H]([NH+]3CCOCC3)C2)c1=S ZINC000172962186 729037280 /nfs/dbraw/zinc/03/72/80/729037280.db2.gz GXBRTJYHFQNLPU-INIZCTEOSA-N 1 1 358.511 2.722 10 30 FFEEMO C[N@@H+](CCNC(=O)[C@@H]1CSCN1C(=O)C1CCC1)C1CCCCC1 ZINC000329193519 729796846 /nfs/dbraw/zinc/79/68/46/729796846.db2.gz UDNBYMQFACLJQD-INIZCTEOSA-N 1 1 353.532 2.909 10 30 FFEEMO O=C(C[N@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1)NC(=O)NC1CC1 ZINC000329608826 729798047 /nfs/dbraw/zinc/79/80/47/729798047.db2.gz CUKVKBJLRBRJAJ-VIFPVBQESA-N 1 1 359.352 2.641 10 30 FFEEMO O=C(C[N@@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1)NC(=O)NC1CC1 ZINC000329608826 729798048 /nfs/dbraw/zinc/79/80/48/729798048.db2.gz CUKVKBJLRBRJAJ-VIFPVBQESA-N 1 1 359.352 2.641 10 30 FFEEMO C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000329275182 967609357 /nfs/dbraw/zinc/60/93/57/967609357.db2.gz JSSULZAZTZLAPM-FUHWJXTLSA-N 1 1 373.497 2.735 10 30 FFEEMO CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N[C@@H]1CC[N@H+]3CCCC[C@H]13)C2 ZINC000329292879 967625963 /nfs/dbraw/zinc/62/59/63/967625963.db2.gz RJKWQSJHHZHDKN-ARFHVFGLSA-N 1 1 359.518 2.626 10 30 FFEEMO COc1cccc2c1CC[N@@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000193724083 999980583 /nfs/dbraw/zinc/98/05/83/999980583.db2.gz QGFSPIPKMKESMG-QGZVFWFLSA-N 1 1 367.474 2.834 10 30 FFEEMO COc1cccc2c1CC[N@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000193724083 999980585 /nfs/dbraw/zinc/98/05/85/999980585.db2.gz QGFSPIPKMKESMG-QGZVFWFLSA-N 1 1 367.474 2.834 10 30 FFEEMO Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@@H]4OCC[N@H+](C)[C@H]4C3)c2c1 ZINC000329001236 258126344 /nfs/dbraw/zinc/12/63/44/258126344.db2.gz VVYMFHJVLWHZLE-IRXDYDNUSA-N 1 1 356.857 2.978 10 30 FFEEMO Cc1ccc(N2CCC[N@H+](Cc3ccc(N(C)CCC#N)cc3)CC2)nn1 ZINC000093272073 508132096 /nfs/dbraw/zinc/13/20/96/508132096.db2.gz INQAUNIJQZNTQC-UHFFFAOYSA-N 1 1 364.497 2.847 10 30 FFEEMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116315908 508497637 /nfs/dbraw/zinc/49/76/37/508497637.db2.gz QHPINJAOEHWLCK-HOTGVXAUSA-N 1 1 358.511 2.874 10 30 FFEEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ncccc1OCCCC#N ZINC000188786629 509263671 /nfs/dbraw/zinc/26/36/71/509263671.db2.gz XXJJSQWVXOWMGI-JKSUJKDBSA-N 1 1 357.458 2.855 10 30 FFEEMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000248347739 509274336 /nfs/dbraw/zinc/27/43/36/509274336.db2.gz NTLIVCLBNRUABD-ROUUACIJSA-N 1 1 370.497 2.500 10 30 FFEEMO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)o1 ZINC000182576384 509311606 /nfs/dbraw/zinc/31/16/06/509311606.db2.gz ZGZACWGYZZUJTK-HOTGVXAUSA-N 1 1 372.494 2.709 10 30 FFEEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cccc(F)c1C#N ZINC000249589216 509718859 /nfs/dbraw/zinc/71/88/59/509718859.db2.gz UXZJEKOHUBRTPS-IFXJQAMLSA-N 1 1 352.413 2.733 10 30 FFEEMO C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000176900116 509754665 /nfs/dbraw/zinc/75/46/65/509754665.db2.gz PMYDTKIASBTENV-SFHVURJKSA-N 1 1 367.453 2.804 10 30 FFEEMO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@@H]4C[N@H+](C)C[C@@H]4C3)sc2C1 ZINC000193642151 510002404 /nfs/dbraw/zinc/00/24/04/510002404.db2.gz UTGLMAWOIJWETG-KFWWJZLASA-N 1 1 372.538 2.567 10 30 FFEEMO Cc1oc(NC(=O)[C@H](C)N2CCC[C@H]2Cn2cc[nH+]c2C)c(C#N)c1C ZINC000245899638 510195835 /nfs/dbraw/zinc/19/58/35/510195835.db2.gz APRFNNASZCTCNJ-BBRMVZONSA-N 1 1 355.442 2.765 10 30 FFEEMO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171899801 510438216 /nfs/dbraw/zinc/43/82/16/510438216.db2.gz LWYIXVROPWNUBX-INIZCTEOSA-N 1 1 351.372 2.547 10 30 FFEEMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000247642061 510867560 /nfs/dbraw/zinc/86/75/60/510867560.db2.gz TVWRGIPKLMJLMK-KCZVDYSFSA-N 1 1 366.461 2.886 10 30 FFEEMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)N[C@H]1CCCSC1 ZINC000330206302 510938065 /nfs/dbraw/zinc/93/80/65/510938065.db2.gz DZFYXRJMRUGWRZ-BHYGNILZSA-N 1 1 365.547 2.544 10 30 FFEEMO C[C@]1(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)CCCNC1=O ZINC000330287430 510958192 /nfs/dbraw/zinc/95/81/92/510958192.db2.gz BELWWWGNQZYZIU-PXNSSMCTSA-N 1 1 359.470 2.856 10 30 FFEEMO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCO[C@@H]1c1cncc(Br)c1 ZINC000330324372 510963537 /nfs/dbraw/zinc/96/35/37/510963537.db2.gz IJNQMNVGNVMLGU-MELADBBJSA-N 1 1 354.248 2.725 10 30 FFEEMO Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)no1 ZINC000328802035 511933892 /nfs/dbraw/zinc/93/38/92/511933892.db2.gz AOZQXCORMIUKGD-IKGGRYGDSA-N 1 1 355.442 2.874 10 30 FFEEMO C[C@H](CNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)c1nc(-c2ccccc2)no1 ZINC000329548631 512068625 /nfs/dbraw/zinc/06/86/25/512068625.db2.gz OUQPHEXXXZDVKO-VYDXJSESSA-N 1 1 369.469 2.780 10 30 FFEEMO Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000329566576 512071903 /nfs/dbraw/zinc/07/19/03/512071903.db2.gz KURASXRTNGBBEM-STECZYCISA-N 1 1 366.481 2.891 10 30 FFEEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)C1 ZINC000329830802 512102710 /nfs/dbraw/zinc/10/27/10/512102710.db2.gz SNNBRYIMDUCIGJ-KBMXLJTQSA-N 1 1 361.490 2.769 10 30 FFEEMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@H+]2CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000407961216 512975274 /nfs/dbraw/zinc/97/52/74/512975274.db2.gz BUGIAJBRRBPNTG-MKXGPGLRSA-N 1 1 361.530 2.933 10 30 FFEEMO N#Cc1ccc(NC(=O)C[NH+]2CCC(Cn3cccn3)CC2)cc1Cl ZINC000106185817 250251358 /nfs/dbraw/zinc/25/13/58/250251358.db2.gz FCMGXKKTUZHVFC-UHFFFAOYSA-N 1 1 357.845 2.759 10 30 FFEEMO Cc1cnn([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)c1 ZINC000106225358 250260269 /nfs/dbraw/zinc/26/02/69/250260269.db2.gz OMEKNOSZHNKILH-MRXNPFEDSA-N 1 1 357.845 2.992 10 30 FFEEMO Cc1cnn([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)c1 ZINC000106225358 250260274 /nfs/dbraw/zinc/26/02/74/250260274.db2.gz OMEKNOSZHNKILH-MRXNPFEDSA-N 1 1 357.845 2.992 10 30 FFEEMO Cn1nccc1[C@H]1[C@H](C[N@@H+](C)Cc2cc(C#N)ccc2F)CCCN1C ZINC000286851041 257058398 /nfs/dbraw/zinc/05/83/98/257058398.db2.gz VJBSTMLMDOPPLQ-OXJNMPFZSA-N 1 1 355.461 2.946 10 30 FFEEMO CN(Cc1cc(C#N)ccc1F)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000286851041 257058399 /nfs/dbraw/zinc/05/83/99/257058399.db2.gz VJBSTMLMDOPPLQ-OXJNMPFZSA-N 1 1 355.461 2.946 10 30 FFEEMO CCc1nnc(NCc2cccc(NC(=O)C[NH+](C)C)c2)c(C#N)c1CC ZINC000301612706 258058681 /nfs/dbraw/zinc/05/86/81/258058681.db2.gz GGYCAAKJRWHUAT-UHFFFAOYSA-N 1 1 366.469 2.585 10 30 FFEEMO Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@H]4OCC[N@H+](C)[C@@H]4C3)c2c1 ZINC000329000947 258126269 /nfs/dbraw/zinc/12/62/69/258126269.db2.gz VVYMFHJVLWHZLE-IAGOWNOFSA-N 1 1 356.857 2.978 10 30 FFEEMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C[C@H]3CCCCC(=O)N3)CC2)cc1 ZINC000329852065 258148704 /nfs/dbraw/zinc/14/87/04/258148704.db2.gz UJGIIEURMXAWGG-LJQANCHMSA-N 1 1 368.481 2.882 10 30 FFEEMO N#Cc1cnc(Nc2cc(N3CCOCC3)c(-c3ccccc3)c[nH+]2)cn1 ZINC000098178684 132231926 /nfs/dbraw/zinc/23/19/26/132231926.db2.gz QXTORUGYSIVLCY-UHFFFAOYSA-N 1 1 358.405 2.990 10 30 FFEEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CCc1ccc(C#N)cc1 ZINC000116247856 508491400 /nfs/dbraw/zinc/49/14/00/508491400.db2.gz IRODHWZFZDWGGG-UTKZUKDTSA-N 1 1 362.477 2.913 10 30 FFEEMO C=CCOc1ccc(C[N@H+]2CCCN(Cc3noc(C)n3)CC2)cc1OC ZINC000127925813 508522106 /nfs/dbraw/zinc/52/21/06/508522106.db2.gz FGMLPGOYMBQDKU-UHFFFAOYSA-N 1 1 372.469 2.659 10 30 FFEEMO C=C[C@@H](CC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000130700892 508833664 /nfs/dbraw/zinc/83/36/64/508833664.db2.gz OVLLKRBNHPGMEL-IBGZPJMESA-N 1 1 352.482 2.814 10 30 FFEEMO C=C[C@@H](CC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000130700892 508833668 /nfs/dbraw/zinc/83/36/68/508833668.db2.gz OVLLKRBNHPGMEL-IBGZPJMESA-N 1 1 352.482 2.814 10 30 FFEEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000155228383 508953441 /nfs/dbraw/zinc/95/34/41/508953441.db2.gz BORUYXUSSRIHAC-ACJLOTCBSA-N 1 1 370.403 2.872 10 30 FFEEMO Cc1cc(C)n(C[C@@H]2C[N@H+](CCCOc3cccc(C#N)c3)CCO2)n1 ZINC000156225104 509146627 /nfs/dbraw/zinc/14/66/27/509146627.db2.gz KRIGCHMPGJJJHL-FQEVSTJZSA-N 1 1 354.454 2.542 10 30 FFEEMO Cc1cc(C)n(C[C@@H]2C[N@@H+](CCCOc3cccc(C#N)c3)CCO2)n1 ZINC000156225104 509146630 /nfs/dbraw/zinc/14/66/30/509146630.db2.gz KRIGCHMPGJJJHL-FQEVSTJZSA-N 1 1 354.454 2.542 10 30 FFEEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cccc(F)c1C#N ZINC000189637749 509676554 /nfs/dbraw/zinc/67/65/54/509676554.db2.gz UXZJEKOHUBRTPS-LIRRHRJNSA-N 1 1 352.413 2.733 10 30 FFEEMO Cc1cccc(N2CCC(NC(=O)NCc3cc(C#N)ccc3F)CC2)[nH+]1 ZINC000176857595 509728165 /nfs/dbraw/zinc/72/81/65/509728165.db2.gz SFXCRGYOGCCMST-UHFFFAOYSA-N 1 1 367.428 2.869 10 30 FFEEMO CCc1[nH+]ccn1[C@H]1CCCN([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000177058493 509846513 /nfs/dbraw/zinc/84/65/13/509846513.db2.gz AFFYUUACCUYSIL-HKUYNNGSSA-N 1 1 352.438 2.868 10 30 FFEEMO CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCCSCC#N)CC1 ZINC000190500574 510169013 /nfs/dbraw/zinc/16/90/13/510169013.db2.gz YOBDYMKLNZVKQH-MRXNPFEDSA-N 1 1 355.548 2.761 10 30 FFEEMO N#CCCN(C(=O)C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)c1ccccc1 ZINC000188131050 510610383 /nfs/dbraw/zinc/61/03/83/510610383.db2.gz YKBPLLJYMAXTHA-HKUYNNGSSA-N 1 1 369.490 2.703 10 30 FFEEMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)NCc1ccc(O)cc1 ZINC000330322758 510963668 /nfs/dbraw/zinc/96/36/68/510963668.db2.gz HCUFJHMNAJJACY-QFBILLFUSA-N 1 1 371.485 2.555 10 30 FFEEMO C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000329300769 512022894 /nfs/dbraw/zinc/02/28/94/512022894.db2.gz VUDVAUHPATYIFB-HYVNUMGLSA-N 1 1 359.470 2.676 10 30 FFEEMO CN1C(=O)CO[C@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccccc1 ZINC000329554783 512068822 /nfs/dbraw/zinc/06/88/22/512068822.db2.gz GVPFZJMTNFTLOE-UUBQNHMESA-N 1 1 371.481 2.557 10 30 FFEEMO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CCC1(F)F ZINC000329702525 512088147 /nfs/dbraw/zinc/08/81/47/512088147.db2.gz HWYYNEYANHIACE-IJEWVQPXSA-N 1 1 369.460 2.694 10 30 FFEEMO O=C(C[C@@H]1CCCCNC1=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000329815549 512100518 /nfs/dbraw/zinc/10/05/18/512100518.db2.gz DNTRYHWTCTWVKI-WMZOPIPTSA-N 1 1 359.470 2.509 10 30 FFEEMO C#CCOC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1OC ZINC000036102952 518302028 /nfs/dbraw/zinc/30/20/28/518302028.db2.gz MXBLDIQMICVXGV-FQEVSTJZSA-N 1 1 357.425 2.847 10 30 FFEEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329784957 968036115 /nfs/dbraw/zinc/03/61/15/968036115.db2.gz WOEBNTHTJLUMRN-BRWVUGGUSA-N 1 1 373.545 2.968 10 30 FFEEMO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329784957 968036126 /nfs/dbraw/zinc/03/61/26/968036126.db2.gz WOEBNTHTJLUMRN-BRWVUGGUSA-N 1 1 373.545 2.968 10 30 FFEEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329784957 968036134 /nfs/dbraw/zinc/03/61/34/968036134.db2.gz WOEBNTHTJLUMRN-BRWVUGGUSA-N 1 1 373.545 2.968 10 30 FFEEMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000121188458 979552408 /nfs/dbraw/zinc/55/24/08/979552408.db2.gz BRDJILQNTBJKOC-UWJYYQICSA-N 1 1 363.461 2.734 10 30 FFEEMO C=CCN1CC[C@]2(C[N@H+](CCCc3ccccc3)CCN2C)CCC1=O ZINC000091657216 210073036 /nfs/dbraw/zinc/07/30/36/210073036.db2.gz AFZUBISXOAAOSJ-QFIPXVFZSA-N 1 1 355.526 2.804 10 30 FFEEMO C=CCN1CC[C@]2(CN(CCCc3ccccc3)CC[N@H+]2C)CCC1=O ZINC000091657216 210073039 /nfs/dbraw/zinc/07/30/39/210073039.db2.gz AFZUBISXOAAOSJ-QFIPXVFZSA-N 1 1 355.526 2.804 10 30 FFEEMO C=CCN1CC[C@]2(CN(CCCc3ccccc3)CC[N@@H+]2C)CCC1=O ZINC000091657216 210073043 /nfs/dbraw/zinc/07/30/43/210073043.db2.gz AFZUBISXOAAOSJ-QFIPXVFZSA-N 1 1 355.526 2.804 10 30 FFEEMO CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000066998118 506720703 /nfs/dbraw/zinc/72/07/03/506720703.db2.gz KWSSAZIOGXICHK-LSDHHAIUSA-N 1 1 374.510 2.620 10 30 FFEEMO C=CCOc1ccccc1CNC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000111886004 508134221 /nfs/dbraw/zinc/13/42/21/508134221.db2.gz NOXXKKPWIXYTSZ-KRWDZBQOSA-N 1 1 373.497 2.646 10 30 FFEEMO CCn1cc(C[N@@H+]2CCCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)cn1 ZINC000112737866 508217654 /nfs/dbraw/zinc/21/76/54/508217654.db2.gz UWAVFNWQRJELHP-UHFFFAOYSA-N 1 1 370.432 2.654 10 30 FFEEMO CCn1cc(C[N@H+]2CCCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)cn1 ZINC000112737866 508217655 /nfs/dbraw/zinc/21/76/55/508217655.db2.gz UWAVFNWQRJELHP-UHFFFAOYSA-N 1 1 370.432 2.654 10 30 FFEEMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000116321277 508499742 /nfs/dbraw/zinc/49/97/42/508499742.db2.gz NJFJFJLMCDHFFH-ROUUACIJSA-N 1 1 365.481 2.853 10 30 FFEEMO CCc1[nH+]ccn1[C@@H]1CCCN(S(=O)(=O)c2cc(C#N)ccc2C)C1 ZINC000128477464 508598808 /nfs/dbraw/zinc/59/88/08/508598808.db2.gz FQIMCRFYYVNNOS-MRXNPFEDSA-N 1 1 358.467 2.651 10 30 FFEEMO N#Cc1ccc(NC(=O)CC[N@@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000121431672 509173586 /nfs/dbraw/zinc/17/35/86/509173586.db2.gz ABFWAIVJQPBGHH-VQIMIIECSA-N 1 1 371.387 2.973 10 30 FFEEMO N#Cc1ccc(NC(=O)CC[N@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000121431672 509173588 /nfs/dbraw/zinc/17/35/88/509173588.db2.gz ABFWAIVJQPBGHH-VQIMIIECSA-N 1 1 371.387 2.973 10 30 FFEEMO C[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000191799995 509187937 /nfs/dbraw/zinc/18/79/37/509187937.db2.gz JYQIXFWSGHKIDQ-UHFFFAOYSA-N 1 1 374.441 2.709 10 30 FFEEMO C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000191799995 509187944 /nfs/dbraw/zinc/18/79/44/509187944.db2.gz JYQIXFWSGHKIDQ-UHFFFAOYSA-N 1 1 374.441 2.709 10 30 FFEEMO COc1cc(/C=C/C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1OCC#N ZINC000247963793 509201485 /nfs/dbraw/zinc/20/14/85/509201485.db2.gz GNRCDNYRZYTDEK-IGCXZHCHSA-N 1 1 369.465 2.553 10 30 FFEEMO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000162358800 509207276 /nfs/dbraw/zinc/20/72/76/509207276.db2.gz MYXOOKCDXPCRRY-OAHLLOKOSA-N 1 1 352.438 2.540 10 30 FFEEMO CC[C@@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)CC[N@H+]1C[C@@H](C)O ZINC000248491761 509341931 /nfs/dbraw/zinc/34/19/31/509341931.db2.gz OFBIBGVRLDOPAZ-BHIYHBOVSA-N 1 1 358.486 2.518 10 30 FFEEMO CC[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CC[N@H+]1C[C@@H](C)O ZINC000177130199 509890400 /nfs/dbraw/zinc/89/04/00/509890400.db2.gz DVZHEGKUCDDXKI-CRAIPNDOSA-N 1 1 354.416 2.834 10 30 FFEEMO COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000245905991 510200325 /nfs/dbraw/zinc/20/03/25/510200325.db2.gz CGBYJXZKIKXJNT-PWRODBHTSA-N 1 1 364.445 2.870 10 30 FFEEMO C#CCOc1ccc(C(=O)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000190619552 510242774 /nfs/dbraw/zinc/24/27/74/510242774.db2.gz YCQYKKXPAXGTSE-LJQANCHMSA-N 1 1 363.461 2.688 10 30 FFEEMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000246355837 510444728 /nfs/dbraw/zinc/44/47/28/510444728.db2.gz MUGTTYXUSDWZRN-MOPGFXCFSA-N 1 1 354.498 2.719 10 30 FFEEMO COc1cc(OC)cc([C@@H]2CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)c1 ZINC000246452925 510496321 /nfs/dbraw/zinc/49/63/21/510496321.db2.gz MWLRGESPRSQMHK-QRWLVFNGSA-N 1 1 359.470 2.548 10 30 FFEEMO COc1cc(OC)cc([C@@H]2CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)c1 ZINC000246452925 510496327 /nfs/dbraw/zinc/49/63/27/510496327.db2.gz MWLRGESPRSQMHK-QRWLVFNGSA-N 1 1 359.470 2.548 10 30 FFEEMO CCc1nc2n(n1)CCC[C@@H]2[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181881243 510640132 /nfs/dbraw/zinc/64/01/32/510640132.db2.gz UTQYLGRBXTYWSW-IBGZPJMESA-N 1 1 364.497 2.801 10 30 FFEEMO Cc1noc(C)c1NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000330322926 510963497 /nfs/dbraw/zinc/96/34/97/510963497.db2.gz HEXYBEAGRSLVGS-WMLDXEAASA-N 1 1 360.462 2.585 10 30 FFEEMO Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1C[N@H+](Cc3ccccc3)CCO1)CCC2 ZINC000328662730 511913000 /nfs/dbraw/zinc/91/30/00/511913000.db2.gz XNLGVXREHSIMDG-RBUKOAKNSA-N 1 1 368.481 2.926 10 30 FFEEMO Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1C[N@@H+](Cc3ccccc3)CCO1)CCC2 ZINC000328662730 511913004 /nfs/dbraw/zinc/91/30/04/511913004.db2.gz XNLGVXREHSIMDG-RBUKOAKNSA-N 1 1 368.481 2.926 10 30 FFEEMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329427732 512044650 /nfs/dbraw/zinc/04/46/50/512044650.db2.gz GWZFLOJYCBHBNL-RCCFBDPRSA-N 1 1 356.470 2.616 10 30 FFEEMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)N2C[C@H]3CC[C@@H](C2)O3)C[C@@H](C)O1 ZINC000329781708 512097006 /nfs/dbraw/zinc/09/70/06/512097006.db2.gz TUAGPYBWNVKZJV-SMOSDQRPSA-N 1 1 373.497 2.573 10 30 FFEEMO C=CCn1c(C(=O)N2CC[NH+](CC)CC2)cc2oc(Br)cc21 ZINC000223725644 729547217 /nfs/dbraw/zinc/54/72/17/729547217.db2.gz JOYMRSFOFFAVQJ-UHFFFAOYSA-N 1 1 366.259 2.961 10 30 FFEEMO CS(=O)(=O)Cc1cccc(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000329196342 729796747 /nfs/dbraw/zinc/79/67/47/729796747.db2.gz VVFRMWSWZCOTMA-MRXNPFEDSA-N 1 1 350.484 2.553 10 30 FFEEMO C[C@H]1CCCC[N@H+]1CCC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000328789465 963860156 /nfs/dbraw/zinc/86/01/56/963860156.db2.gz PZKRSNURLYPIIX-SFHVURJKSA-N 1 1 372.513 2.556 10 30 FFEEMO Cc1oc(NC(=O)[C@@H](C)N2CCC(Cc3[nH+]ccn3C)CC2)c(C#N)c1C ZINC000106164308 250247251 /nfs/dbraw/zinc/24/72/51/250247251.db2.gz XUUBENXYYDVXBS-CQSZACIVSA-N 1 1 369.469 2.783 10 30 FFEEMO C=CCC[C@@H](C[N@@H+](C)CCN(C)C)Oc1cc(-c2nc(C)no2)ccn1 ZINC000072409502 507784737 /nfs/dbraw/zinc/78/47/37/507784737.db2.gz BGKCJOBNXMIVCB-KRWDZBQOSA-N 1 1 359.474 2.647 10 30 FFEEMO C=CCC[C@@H](C[N@H+](C)CCN(C)C)Oc1cc(-c2nc(C)no2)ccn1 ZINC000072409502 507784739 /nfs/dbraw/zinc/78/47/39/507784739.db2.gz BGKCJOBNXMIVCB-KRWDZBQOSA-N 1 1 359.474 2.647 10 30 FFEEMO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000127464529 508453954 /nfs/dbraw/zinc/45/39/54/508453954.db2.gz CMXCPBHYRKEXJJ-OALUTQOASA-N 1 1 371.506 2.658 10 30 FFEEMO COCC[N@@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)C[C@@H]1C ZINC000117448793 508599909 /nfs/dbraw/zinc/59/99/09/508599909.db2.gz ZTXVQSGEZTVWLD-HNNXBMFYSA-N 1 1 360.458 2.530 10 30 FFEEMO COCC[N@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)C[C@@H]1C ZINC000117448793 508599914 /nfs/dbraw/zinc/59/99/14/508599914.db2.gz ZTXVQSGEZTVWLD-HNNXBMFYSA-N 1 1 360.458 2.530 10 30 FFEEMO CC[C@@H]1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC[N@H+]1CCOC ZINC000160663226 509016830 /nfs/dbraw/zinc/01/68/30/509016830.db2.gz LYCUERQAQHQUEX-MOPGFXCFSA-N 1 1 358.486 2.784 10 30 FFEEMO Cc1ccc(C#N)cc1NC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000126595507 509100142 /nfs/dbraw/zinc/10/01/42/509100142.db2.gz ZSDMFLSHYUSJGV-SFHVURJKSA-N 1 1 355.486 2.501 10 30 FFEEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ncccc1OCCCC#N ZINC000188770393 509254751 /nfs/dbraw/zinc/25/47/51/509254751.db2.gz BQIWVXUJFQIIMV-MRXNPFEDSA-N 1 1 368.441 2.966 10 30 FFEEMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173320052 509529999 /nfs/dbraw/zinc/52/99/99/509529999.db2.gz WDVFUOJYRBETNT-QFBILLFUSA-N 1 1 351.454 2.892 10 30 FFEEMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173320052 509530004 /nfs/dbraw/zinc/53/00/04/509530004.db2.gz WDVFUOJYRBETNT-QFBILLFUSA-N 1 1 351.454 2.892 10 30 FFEEMO COc1cc(C#N)ccc1OCC[N@H+]1CCCN(c2ccccn2)CC1 ZINC000183822733 509993585 /nfs/dbraw/zinc/99/35/85/509993585.db2.gz UPDSINYIHXKLBA-UHFFFAOYSA-N 1 1 352.438 2.553 10 30 FFEEMO CCOCC[N@H+]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1C ZINC000245889635 510189151 /nfs/dbraw/zinc/18/91/51/510189151.db2.gz CBPRIQVQQDEKLW-QGZVFWFLSA-N 1 1 367.497 2.501 10 30 FFEEMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)C#Cc2ccccc2)C1 ZINC000190548569 510197839 /nfs/dbraw/zinc/19/78/39/510197839.db2.gz COYUSKJASDHBCJ-SFHVURJKSA-N 1 1 353.491 2.784 10 30 FFEEMO CC[N@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000177700847 510204464 /nfs/dbraw/zinc/20/44/64/510204464.db2.gz RMRBPWXWZHYJSD-KBPBESRZSA-N 1 1 360.527 2.852 10 30 FFEEMO CCOc1cc(C)nc(N2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)n1 ZINC000187683578 510384776 /nfs/dbraw/zinc/38/47/76/510384776.db2.gz JVYPFJIUGWENMH-INIZCTEOSA-N 1 1 351.454 2.939 10 30 FFEEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000172242418 510619178 /nfs/dbraw/zinc/61/91/78/510619178.db2.gz ROUZCHCPANIJQA-RHSMWYFYSA-N 1 1 365.399 2.935 10 30 FFEEMO N#Cc1ccccc1OCc1ccc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000195335639 510790134 /nfs/dbraw/zinc/79/01/34/510790134.db2.gz IRGMGANQHANZPT-MRXNPFEDSA-N 1 1 351.406 2.650 10 30 FFEEMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)N[C@@H]1CSC1(C)C ZINC000328791600 511932221 /nfs/dbraw/zinc/93/22/21/511932221.db2.gz ZJQHHWMROYYWIF-NUEKZKHPSA-N 1 1 365.547 2.543 10 30 FFEEMO CC(C)[C@@H](C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000329116747 511985878 /nfs/dbraw/zinc/98/58/78/511985878.db2.gz NNMKAQRRISJZTD-AQDKSWOWSA-N 1 1 351.491 2.974 10 30 FFEEMO CC(C)[C@@H](C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000329116747 511985883 /nfs/dbraw/zinc/98/58/83/511985883.db2.gz NNMKAQRRISJZTD-AQDKSWOWSA-N 1 1 351.491 2.974 10 30 FFEEMO CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CCS1 ZINC000329431051 512046072 /nfs/dbraw/zinc/04/60/72/512046072.db2.gz HSBWUXORDFATLS-ZMSDIMECSA-N 1 1 365.547 2.544 10 30 FFEEMO Cn1cncc1[C@H]1[C@H](C[N@@H+](C)Cc2ccc(F)c(C#N)c2)CCCN1C ZINC000585804545 518609805 /nfs/dbraw/zinc/60/98/05/518609805.db2.gz KDOYIPGXARGHSQ-OXJNMPFZSA-N 1 1 355.461 2.946 10 30 FFEEMO C=CCSc1nc2ccccc2n1CN1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000117322275 728577361 /nfs/dbraw/zinc/57/73/61/728577361.db2.gz BHJDKMYOZYTPBH-INIZCTEOSA-N 1 1 360.527 2.924 10 30 FFEEMO C=CCSc1nc2ccccc2n1C[N@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000117322275 728577363 /nfs/dbraw/zinc/57/73/63/728577363.db2.gz BHJDKMYOZYTPBH-INIZCTEOSA-N 1 1 360.527 2.924 10 30 FFEEMO C=CCSc1nc2ccccc2n1C[N@@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000117322275 728577364 /nfs/dbraw/zinc/57/73/64/728577364.db2.gz BHJDKMYOZYTPBH-INIZCTEOSA-N 1 1 360.527 2.924 10 30 FFEEMO Cc1cnn(CC2CCN(CC(=O)NC3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000329309051 967638358 /nfs/dbraw/zinc/63/83/58/967638358.db2.gz AFXIUAHQWFVTIV-UHFFFAOYSA-N 1 1 361.534 2.733 10 30 FFEEMO Cc1cc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c(C#N)c(C)n1 ZINC000328634220 223123191 /nfs/dbraw/zinc/12/31/91/223123191.db2.gz TULJZPOSAGYOQC-OXJNMPFZSA-N 1 1 352.486 2.823 10 30 FFEEMO Cc1nc(C[C@@H]2CCC[N@@H+](CCC(=O)Nc3sccc3C#N)C2)no1 ZINC000103150213 250135947 /nfs/dbraw/zinc/13/59/47/250135947.db2.gz XHOJEOKWSAYICK-ZDUSSCGKSA-N 1 1 359.455 2.595 10 30 FFEEMO Cc1cc(F)cc2c1ncc(C#N)c2N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000301577729 258056702 /nfs/dbraw/zinc/05/67/02/258056702.db2.gz OHUQIPKUKARXNN-KDOFPFPSSA-N 1 1 354.429 2.711 10 30 FFEEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Cc2ccc(OCC#N)cc2)C1 ZINC000110728207 508044463 /nfs/dbraw/zinc/04/44/63/508044463.db2.gz BAIMFSKOLHSDGS-QGZVFWFLSA-N 1 1 352.438 2.754 10 30 FFEEMO CN(CCC#N)C(=O)CC[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000092807184 508102348 /nfs/dbraw/zinc/10/23/48/508102348.db2.gz LHMGUEHMYZHFMC-JKSUJKDBSA-N 1 1 369.387 2.575 10 30 FFEEMO COc1cc(OC)cc([C@H]2CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)c1 ZINC000083402766 508243842 /nfs/dbraw/zinc/24/38/42/508243842.db2.gz MWLRGESPRSQMHK-YWZLYKJASA-N 1 1 359.470 2.548 10 30 FFEEMO COc1cc(OC)cc([C@H]2CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)c1 ZINC000083402766 508243845 /nfs/dbraw/zinc/24/38/45/508243845.db2.gz MWLRGESPRSQMHK-YWZLYKJASA-N 1 1 359.470 2.548 10 30 FFEEMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000102928830 508289459 /nfs/dbraw/zinc/28/94/59/508289459.db2.gz OXUBGAQAUVGHNQ-IEBWSBKVSA-N 1 1 366.417 2.864 10 30 FFEEMO N#CCCN(C(=O)C[NH+]1CCC(Cn2cccn2)CC1)c1ccccc1 ZINC000106185417 508397102 /nfs/dbraw/zinc/39/71/02/508397102.db2.gz VGJZWEPRFKBZFK-UHFFFAOYSA-N 1 1 351.454 2.542 10 30 FFEEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCc1ccc(C#N)cc1 ZINC000116528621 508525250 /nfs/dbraw/zinc/52/52/50/508525250.db2.gz KLHBTJXDPYIYPJ-JXFKEZNVSA-N 1 1 363.465 2.663 10 30 FFEEMO CCn1cc(C2CC[NH+](CC(=O)N(C)C3(C#N)CCCCC3)CC2)cn1 ZINC000195500018 509193112 /nfs/dbraw/zinc/19/31/12/509193112.db2.gz DZLHBJYFYVUMLD-UHFFFAOYSA-N 1 1 357.502 2.767 10 30 FFEEMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H]1CCC2(CCCCC2)O1 ZINC000248793378 509487989 /nfs/dbraw/zinc/48/79/89/509487989.db2.gz DSOLYUMHSHHUNR-IAGOWNOFSA-N 1 1 355.486 2.741 10 30 FFEEMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H]1CCC2(CCCCC2)O1 ZINC000248793378 509487991 /nfs/dbraw/zinc/48/79/91/509487991.db2.gz DSOLYUMHSHHUNR-IAGOWNOFSA-N 1 1 355.486 2.741 10 30 FFEEMO CCOCC[N@H+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H]1CC ZINC000173680854 509716830 /nfs/dbraw/zinc/71/68/30/509716830.db2.gz OGLIKRPURXIGOQ-GOSISDBHSA-N 1 1 369.469 2.541 10 30 FFEEMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)CCO1 ZINC000180358477 509885338 /nfs/dbraw/zinc/88/53/38/509885338.db2.gz HKPXMLXNIYFJMI-MRXNPFEDSA-N 1 1 353.466 2.567 10 30 FFEEMO CN(CCC#N)c1ccc(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000245807104 510150930 /nfs/dbraw/zinc/15/09/30/510150930.db2.gz YUAGZNXFANONGU-FQEVSTJZSA-N 1 1 364.497 2.927 10 30 FFEEMO CC[N@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000177700838 510205652 /nfs/dbraw/zinc/20/56/52/510205652.db2.gz RMRBPWXWZHYJSD-UONOGXRCSA-N 1 1 360.527 2.852 10 30 FFEEMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)nc1 ZINC000245952714 510224613 /nfs/dbraw/zinc/22/46/13/510224613.db2.gz BKCFXPWGAOOCMG-RBUKOAKNSA-N 1 1 364.449 2.646 10 30 FFEEMO CC[C@@H]1CN(C(=O)Nc2ccccc2O[C@@H](C)C#N)CC[N@H+]1CCOC ZINC000184329071 510265483 /nfs/dbraw/zinc/26/54/83/510265483.db2.gz AITZGROFPWXDKR-JKSUJKDBSA-N 1 1 360.458 2.552 10 30 FFEEMO C=C(C)COCCNC(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190727443 510310909 /nfs/dbraw/zinc/31/09/09/510310909.db2.gz MBFFOQKPALEPSB-MRXNPFEDSA-N 1 1 366.531 2.508 10 30 FFEEMO Cc1csc([C@@H]2CN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCO2)n1 ZINC000328757897 511926993 /nfs/dbraw/zinc/92/69/93/511926993.db2.gz VIVTWLWUILSEBU-UYTSQGDYSA-N 1 1 364.515 2.754 10 30 FFEEMO O=C(C[NH+]1CCC(Nc2cccnn2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000329135481 511989796 /nfs/dbraw/zinc/98/97/96/511989796.db2.gz GJGAURNUKLFVRE-UHFFFAOYSA-N 1 1 369.513 2.700 10 30 FFEEMO C[C@@H](CCNC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)[N@@H+](C)Cc1ccccc1 ZINC000329310166 512024836 /nfs/dbraw/zinc/02/48/36/512024836.db2.gz CEICLWVIVIQOKN-CGTJXYLNSA-N 1 1 358.486 2.862 10 30 FFEEMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000329605122 512076850 /nfs/dbraw/zinc/07/68/50/512076850.db2.gz LZHVHFSJMGYUPT-ZWKOTPCHSA-N 1 1 370.497 2.907 10 30 FFEEMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)c1 ZINC000329722602 512090475 /nfs/dbraw/zinc/09/04/75/512090475.db2.gz BBWAAHGJISTRMH-LAVFITLUSA-N 1 1 373.453 2.826 10 30 FFEEMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)c1 ZINC000329722602 512090477 /nfs/dbraw/zinc/09/04/77/512090477.db2.gz BBWAAHGJISTRMH-LAVFITLUSA-N 1 1 373.453 2.826 10 30 FFEEMO CC(=O)N[C@]1(c2nc(C)cs2)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000548010381 516692362 /nfs/dbraw/zinc/69/23/62/516692362.db2.gz BVUHWLMMNUSQMD-GOSISDBHSA-N 1 1 358.442 2.700 10 30 FFEEMO CC(=O)N[C@]1(c2nc(C)cs2)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000548010381 516692372 /nfs/dbraw/zinc/69/23/72/516692372.db2.gz BVUHWLMMNUSQMD-GOSISDBHSA-N 1 1 358.442 2.700 10 30 FFEEMO Cc1ncc(CN2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)s1 ZINC000170941500 728993093 /nfs/dbraw/zinc/99/30/93/728993093.db2.gz JCTKSOHIIQTQSX-UHFFFAOYSA-N 1 1 356.495 2.910 10 30 FFEEMO CC(C)C[NH+]1CCN(C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329283716 967616334 /nfs/dbraw/zinc/61/63/34/967616334.db2.gz OCSAELCJDOZNDI-INIZCTEOSA-N 1 1 361.534 2.683 10 30 FFEEMO C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1nccs1 ZINC000106281822 250262608 /nfs/dbraw/zinc/26/26/08/250262608.db2.gz GMUKULVATKMFEW-OAHLLOKOSA-N 1 1 369.494 2.993 10 30 FFEEMO N#Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)sc2c1CCCC2 ZINC000333196680 258255651 /nfs/dbraw/zinc/25/56/51/258255651.db2.gz WLBPHQLVABMVKU-KKUMJFAQSA-N 1 1 373.522 2.920 10 30 FFEEMO N#Cc1ccc(F)c(CNC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000075177562 508087507 /nfs/dbraw/zinc/08/75/07/508087507.db2.gz UEEPPTCOXOMYJP-IBGZPJMESA-N 1 1 367.424 2.605 10 30 FFEEMO N#Cc1ccc(F)c(CNC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000075177562 508087509 /nfs/dbraw/zinc/08/75/09/508087509.db2.gz UEEPPTCOXOMYJP-IBGZPJMESA-N 1 1 367.424 2.605 10 30 FFEEMO C#CCCOc1ccc(C[N@@H+]2CCCN(c3ccc(C)nn3)CC2)cc1 ZINC000093271967 508131989 /nfs/dbraw/zinc/13/19/89/508131989.db2.gz MMFVSJNPPHHQDE-UHFFFAOYSA-N 1 1 350.466 2.899 10 30 FFEEMO C[C@H]1CC(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000093909773 508160165 /nfs/dbraw/zinc/16/01/65/508160165.db2.gz YPZMBVSVAHRJBJ-IRXDYDNUSA-N 1 1 355.482 2.796 10 30 FFEEMO C[C@H]1CC(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000093909773 508160167 /nfs/dbraw/zinc/16/01/67/508160167.db2.gz YPZMBVSVAHRJBJ-IRXDYDNUSA-N 1 1 355.482 2.796 10 30 FFEEMO C=CCOc1cccc(NC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000098029870 508231846 /nfs/dbraw/zinc/23/18/46/508231846.db2.gz BEMTTXCUVCWSGG-MRXNPFEDSA-N 1 1 359.470 2.968 10 30 FFEEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000113518250 508270102 /nfs/dbraw/zinc/27/01/02/508270102.db2.gz YBPHNWLFUNHRQI-MAUKXSAKSA-N 1 1 360.889 2.755 10 30 FFEEMO C[C@@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1N1CCOCC1 ZINC000156657278 508457194 /nfs/dbraw/zinc/45/71/94/508457194.db2.gz PXIVIPJOVVRHSV-QAPCUYQASA-N 1 1 368.399 2.589 10 30 FFEEMO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C[C@H]1C ZINC000157640127 508590944 /nfs/dbraw/zinc/59/09/44/508590944.db2.gz CAJZOXWJZRFYON-MRXNPFEDSA-N 1 1 374.485 2.920 10 30 FFEEMO CCOCC[N@H+]1CCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C[C@H]1C ZINC000157640127 508590946 /nfs/dbraw/zinc/59/09/46/508590946.db2.gz CAJZOXWJZRFYON-MRXNPFEDSA-N 1 1 374.485 2.920 10 30 FFEEMO C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1Br ZINC000123191594 508649974 /nfs/dbraw/zinc/64/99/74/508649974.db2.gz GEFHHJOYLSCCQC-BZNIZROVSA-N 1 1 350.260 2.908 10 30 FFEEMO COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000124213403 508798374 /nfs/dbraw/zinc/79/83/74/508798374.db2.gz TVAAGSGPIYKNJU-HXUWFJFHSA-N 1 1 372.513 2.837 10 30 FFEEMO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccccc1Br ZINC000126663042 509109277 /nfs/dbraw/zinc/10/92/77/509109277.db2.gz JYYBFNWGRKVDGS-CYBMUJFWSA-N 1 1 363.259 2.756 10 30 FFEEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CCCOc3cccc(C#N)c3)C2)n1 ZINC000156216532 509145649 /nfs/dbraw/zinc/14/56/49/509145649.db2.gz SVLKZWBRZRNDDQ-LJQANCHMSA-N 1 1 353.470 2.948 10 30 FFEEMO CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(c2ccc(C)c(C#N)n2)CC1 ZINC000192240972 509421717 /nfs/dbraw/zinc/42/17/17/509421717.db2.gz NGTAOEXNPPWLNL-UHFFFAOYSA-N 1 1 358.486 2.894 10 30 FFEEMO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@H](Oc4cccnc4)C3)C2=O)cc1 ZINC000182853573 509460320 /nfs/dbraw/zinc/46/03/20/509460320.db2.gz QTVRSTQRVYIYRE-WOJBJXKFSA-N 1 1 362.433 2.602 10 30 FFEEMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@@H](Oc4cccnc4)C3)C2=O)cc1 ZINC000182853573 509460328 /nfs/dbraw/zinc/46/03/28/509460328.db2.gz QTVRSTQRVYIYRE-WOJBJXKFSA-N 1 1 362.433 2.602 10 30 FFEEMO CCOCC[N@H+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H]1CC ZINC000173680867 509716444 /nfs/dbraw/zinc/71/64/44/509716444.db2.gz OGLIKRPURXIGOQ-SFHVURJKSA-N 1 1 369.469 2.541 10 30 FFEEMO C#CCCCCNC(=O)N1CCC[C@@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000190131365 509956106 /nfs/dbraw/zinc/95/61/06/509956106.db2.gz JXAKDKIBWXGBFO-QGZVFWFLSA-N 1 1 365.518 2.628 10 30 FFEEMO C#CCCCCNC(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000190131365 509956117 /nfs/dbraw/zinc/95/61/17/509956117.db2.gz JXAKDKIBWXGBFO-QGZVFWFLSA-N 1 1 365.518 2.628 10 30 FFEEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(C#N)ccc1OCCOC ZINC000184609152 510415448 /nfs/dbraw/zinc/41/54/48/510415448.db2.gz YHQYLAMSNPGEOA-INIZCTEOSA-N 1 1 360.458 2.531 10 30 FFEEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000175043048 510455125 /nfs/dbraw/zinc/45/51/25/510455125.db2.gz KXVXJXGXADMONH-LSDHHAIUSA-N 1 1 372.538 2.996 10 30 FFEEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cc1cccc(OCC#N)c1 ZINC000182094516 510754324 /nfs/dbraw/zinc/75/43/24/510754324.db2.gz BTUVJGYPALSZTI-KRWDZBQOSA-N 1 1 351.450 2.768 10 30 FFEEMO CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000195300440 510771957 /nfs/dbraw/zinc/77/19/57/510771957.db2.gz FTIIYTGAOQFUBQ-FQEVSTJZSA-N 1 1 350.466 2.786 10 30 FFEEMO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(CCOc2ccc(C#N)cc2)C1 ZINC000195300440 510771960 /nfs/dbraw/zinc/77/19/60/510771960.db2.gz FTIIYTGAOQFUBQ-FQEVSTJZSA-N 1 1 350.466 2.786 10 30 FFEEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(CCOc2ccc(C#N)cc2)C1 ZINC000195300440 510771962 /nfs/dbraw/zinc/77/19/62/510771962.db2.gz FTIIYTGAOQFUBQ-FQEVSTJZSA-N 1 1 350.466 2.786 10 30 FFEEMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2[C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000281417327 511839486 /nfs/dbraw/zinc/83/94/86/511839486.db2.gz ONSZRUPQEKDHFK-XNJHUCFUSA-N 1 1 373.522 2.987 10 30 FFEEMO C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[C@@H]2O)[C@H]1c1ccc(Cl)cc1 ZINC000328830399 511937637 /nfs/dbraw/zinc/93/76/37/511937637.db2.gz JXCLWXOQVIJPHV-QSPRXWTASA-N 1 1 351.878 2.750 10 30 FFEEMO C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[C@@H]2O)[C@H]1c1ccc(Cl)cc1 ZINC000328830399 511937643 /nfs/dbraw/zinc/93/76/43/511937643.db2.gz JXCLWXOQVIJPHV-QSPRXWTASA-N 1 1 351.878 2.750 10 30 FFEEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000329022952 511969450 /nfs/dbraw/zinc/96/94/50/511969450.db2.gz MTJQQILRUONTFK-LZQZEXGQSA-N 1 1 355.482 2.864 10 30 FFEEMO CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCc3c[nH]nc3C2)[C@@H]1c1ccccc1 ZINC000329073336 511978314 /nfs/dbraw/zinc/97/83/14/511978314.db2.gz OUHXSWIXHROVPE-VDGAXYAQSA-N 1 1 368.481 2.933 10 30 FFEEMO CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCc3c[nH]nc3C2)[C@@H]1c1ccccc1 ZINC000329073336 511978321 /nfs/dbraw/zinc/97/83/21/511978321.db2.gz OUHXSWIXHROVPE-VDGAXYAQSA-N 1 1 368.481 2.933 10 30 FFEEMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329336900 512029574 /nfs/dbraw/zinc/02/95/74/512029574.db2.gz PLKVFXIPIIIRTL-JKSUJKDBSA-N 1 1 361.534 2.683 10 30 FFEEMO CN(C[C@H]1CCC[N@H+](C)C1)C([O-])=[NH+][C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329336900 512029578 /nfs/dbraw/zinc/02/95/78/512029578.db2.gz PLKVFXIPIIIRTL-JKSUJKDBSA-N 1 1 361.534 2.683 10 30 FFEEMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@@H]2OC[C@H]3COCC[C@H]32)c1 ZINC000329722604 512089955 /nfs/dbraw/zinc/08/99/55/512089955.db2.gz BBWAAHGJISTRMH-NRSFXHEJSA-N 1 1 373.453 2.826 10 30 FFEEMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@@H]2OC[C@H]3COCC[C@H]32)c1 ZINC000329722604 512089959 /nfs/dbraw/zinc/08/99/59/512089959.db2.gz BBWAAHGJISTRMH-NRSFXHEJSA-N 1 1 373.453 2.826 10 30 FFEEMO CC(=O)N[C@@]1(c2nc(C)cs2)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000548010382 516693528 /nfs/dbraw/zinc/69/35/28/516693528.db2.gz BVUHWLMMNUSQMD-SFHVURJKSA-N 1 1 358.442 2.700 10 30 FFEEMO CC(=O)N[C@@]1(c2nc(C)cs2)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000548010382 516693536 /nfs/dbraw/zinc/69/35/36/516693536.db2.gz BVUHWLMMNUSQMD-SFHVURJKSA-N 1 1 358.442 2.700 10 30 FFEEMO CC(=O)N[C@@]1(c2nc(C)cs2)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000548337702 516911631 /nfs/dbraw/zinc/91/16/31/516911631.db2.gz RCGHVCPHLSFEII-SFHVURJKSA-N 1 1 358.442 2.700 10 30 FFEEMO CC(=O)N[C@@]1(c2nc(C)cs2)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000548337702 516911640 /nfs/dbraw/zinc/91/16/40/516911640.db2.gz RCGHVCPHLSFEII-SFHVURJKSA-N 1 1 358.442 2.700 10 30 FFEEMO C=CCn1c(-c2ccco2)nn(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1=S ZINC000247190794 729595087 /nfs/dbraw/zinc/59/50/87/729595087.db2.gz VMJGCQFCIYREBV-CABCVRRESA-N 1 1 359.499 2.986 10 30 FFEEMO CC(C)[C@H](NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)c1nnc2ccccn21 ZINC000329389879 967673917 /nfs/dbraw/zinc/67/39/17/967673917.db2.gz SBHDZQVQVUYVAU-ZOBUZTSGSA-N 1 1 356.474 2.509 10 30 FFEEMO N#C[C@@H]1CCC[C@H]1NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000332837025 977678013 /nfs/dbraw/zinc/67/80/13/977678013.db2.gz FPUYWGBGLJLZRO-QKNQBKEWSA-N 1 1 352.482 2.986 10 30 FFEEMO CC[C@H](O)C[NH+]1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000106395147 250267795 /nfs/dbraw/zinc/26/77/95/250267795.db2.gz FNEYDPDBLXIVLG-SFHVURJKSA-N 1 1 363.461 2.754 10 30 FFEEMO COc1cc(C=NNC(N)=[NH2+])ccc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000048512776 221013305 /nfs/dbraw/zinc/01/33/05/221013305.db2.gz LDNFINVQPNASIO-FSJBWODESA-N 1 1 368.437 2.819 10 30 FFEEMO CCOCC[N@H+]1CCN(c2ccc(Br)cc2C#N)C[C@H]1C ZINC000302162823 258092150 /nfs/dbraw/zinc/09/21/50/258092150.db2.gz KDUSDEAUTBJUES-CYBMUJFWSA-N 1 1 352.276 2.868 10 30 FFEEMO N#Cc1cnc2ccccc2c1NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000301568508 258056514 /nfs/dbraw/zinc/05/65/14/258056514.db2.gz ZTSOJSBQQFLSBL-IBGZPJMESA-N 1 1 358.445 2.938 10 30 FFEEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000092757819 508099597 /nfs/dbraw/zinc/09/95/97/508099597.db2.gz HVUJIRJUDDMQNF-WCQYABFASA-N 1 1 350.369 2.860 10 30 FFEEMO Cc1ccc(N2CCC[N@H+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)nn1 ZINC000093271746 508132175 /nfs/dbraw/zinc/13/21/75/508132175.db2.gz NBWLLJITSMZCNS-KRWDZBQOSA-N 1 1 351.454 2.788 10 30 FFEEMO Cc1ccc2oc(N3CC[NH+](C[C@H](O)c4ccc(C#N)cc4)CC3)nc2c1 ZINC000127426032 508447903 /nfs/dbraw/zinc/44/79/03/508447903.db2.gz FOWBHQAGMDPRAF-IBGZPJMESA-N 1 1 362.433 2.864 10 30 FFEEMO COCc1nc2n(n1)CCC[C@H]2[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000153977273 508690494 /nfs/dbraw/zinc/69/04/94/508690494.db2.gz HKINNOLJCIOTGX-QGZVFWFLSA-N 1 1 355.442 2.732 10 30 FFEEMO COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000158597769 508726469 /nfs/dbraw/zinc/72/64/69/508726469.db2.gz CGBYJXZKIKXJNT-NJYVYQBISA-N 1 1 364.445 2.870 10 30 FFEEMO COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000155727115 509060421 /nfs/dbraw/zinc/06/04/21/509060421.db2.gz HQGJVCLFCXUUOO-WBVHZDCISA-N 1 1 359.470 2.571 10 30 FFEEMO Cc1ncc(CN2CC[NH+](CCCOc3cccc(C#N)c3)CC2)s1 ZINC000156144936 509133788 /nfs/dbraw/zinc/13/37/88/509133788.db2.gz MOUVMAKENNJFFC-UHFFFAOYSA-N 1 1 356.495 2.910 10 30 FFEEMO CC[N@H+]1CCC[C@H](NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000175991939 509259868 /nfs/dbraw/zinc/25/98/68/509259868.db2.gz CLFAYMLUNZWWMJ-INIZCTEOSA-N 1 1 353.388 2.840 10 30 FFEEMO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000248418161 509309231 /nfs/dbraw/zinc/30/92/31/509309231.db2.gz SCCDHXVUYVFCPW-HZPDHXFCSA-N 1 1 372.469 2.694 10 30 FFEEMO C[C@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)C[C@@H]1[NH+]1CCOCC1 ZINC000176705692 509650872 /nfs/dbraw/zinc/65/08/72/509650872.db2.gz ZDYXTMNCADMTSK-SJCJKPOMSA-N 1 1 358.392 2.542 10 30 FFEEMO CC[C@@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)CC[N@H+]1CCOC ZINC000252692463 509857237 /nfs/dbraw/zinc/85/72/37/509857237.db2.gz LYCUERQAQHQUEX-RTBURBONSA-N 1 1 358.486 2.784 10 30 FFEEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000190449701 510138087 /nfs/dbraw/zinc/13/80/87/510138087.db2.gz VTHICKUGZSRKPL-QGZVFWFLSA-N 1 1 351.410 2.820 10 30 FFEEMO CC[C@H]1CN(C(=O)Nc2ccccc2O[C@@H](C)C#N)CC[N@H+]1CCOC ZINC000184329089 510266202 /nfs/dbraw/zinc/26/62/02/510266202.db2.gz AITZGROFPWXDKR-HOTGVXAUSA-N 1 1 360.458 2.552 10 30 FFEEMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246477719 510509221 /nfs/dbraw/zinc/50/92/21/510509221.db2.gz GIOHTROZMNODQX-GGPKGHCWSA-N 1 1 361.461 2.768 10 30 FFEEMO C[C@H]1C[N@H+](C2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)CCO1 ZINC000246818962 510691371 /nfs/dbraw/zinc/69/13/71/510691371.db2.gz NQLDIMLISFVDKR-FXAWDEMLSA-N 1 1 370.497 2.926 10 30 FFEEMO C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195290766 510764163 /nfs/dbraw/zinc/76/41/63/510764163.db2.gz XDYQLUAVGFYNPA-UYAOXDASSA-N 1 1 358.530 2.648 10 30 FFEEMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195290766 510764167 /nfs/dbraw/zinc/76/41/67/510764167.db2.gz XDYQLUAVGFYNPA-UYAOXDASSA-N 1 1 358.530 2.648 10 30 FFEEMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195290766 510764173 /nfs/dbraw/zinc/76/41/73/510764173.db2.gz XDYQLUAVGFYNPA-UYAOXDASSA-N 1 1 358.530 2.648 10 30 FFEEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000247239976 510853846 /nfs/dbraw/zinc/85/38/46/510853846.db2.gz NAEKUTVIFMMBBG-KGLIPLIRSA-N 1 1 358.511 2.606 10 30 FFEEMO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000330039275 510905167 /nfs/dbraw/zinc/90/51/67/510905167.db2.gz BVNNTXSLOBDUMD-IEBWSBKVSA-N 1 1 354.454 2.513 10 30 FFEEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)COc1cccc(NC(=O)C2CC2)c1 ZINC000329393339 512039806 /nfs/dbraw/zinc/03/98/06/512039806.db2.gz UQTQXANTWNBEGZ-PBHICJAKSA-N 1 1 357.454 2.759 10 30 FFEEMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329627333 512078028 /nfs/dbraw/zinc/07/80/28/512078028.db2.gz GXNPPUSUSYQMJM-OQIJWPOYSA-N 1 1 370.497 2.862 10 30 FFEEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329716840 512090030 /nfs/dbraw/zinc/09/00/30/512090030.db2.gz WYPUGMVQNRIFHF-KCYZZUKISA-N 1 1 350.507 2.993 10 30 FFEEMO C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@H](CCO)C2)[C@@H]1c1cccs1 ZINC000329805821 512099177 /nfs/dbraw/zinc/09/91/77/512099177.db2.gz KXKHPDNYXVZFGN-BFYDXBDKSA-N 1 1 351.516 2.749 10 30 FFEEMO Cc1nc(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)oc1C ZINC000328637513 526973827 /nfs/dbraw/zinc/97/38/27/526973827.db2.gz WAAYMOOWCNTUJW-GOEBONIOSA-N 1 1 360.462 2.585 10 30 FFEEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000113518248 508269922 /nfs/dbraw/zinc/26/99/22/508269922.db2.gz YBPHNWLFUNHRQI-CRAIPNDOSA-N 1 1 360.889 2.755 10 30 FFEEMO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000127363569 508438785 /nfs/dbraw/zinc/43/87/85/508438785.db2.gz XZEOWUDNWYMUEP-MSOLQXFVSA-N 1 1 351.454 2.747 10 30 FFEEMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000127363569 508438789 /nfs/dbraw/zinc/43/87/89/508438789.db2.gz XZEOWUDNWYMUEP-MSOLQXFVSA-N 1 1 351.454 2.747 10 30 FFEEMO Cc1ccc(N2CCC(NC(=O)[C@@H](C)Oc3ccccc3C#N)CC2)[nH+]c1 ZINC000157860303 508623213 /nfs/dbraw/zinc/62/32/13/508623213.db2.gz XZVOPMSRNCHVQA-MRXNPFEDSA-N 1 1 364.449 2.814 10 30 FFEEMO Cc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000123119585 508639423 /nfs/dbraw/zinc/63/94/23/508639423.db2.gz BWQVXIVLSDPPIB-CYBMUJFWSA-N 1 1 364.858 2.570 10 30 FFEEMO Cc1nccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000154586590 508814330 /nfs/dbraw/zinc/81/43/30/508814330.db2.gz GKXLOPSKJURWGI-FXAWDEMLSA-N 1 1 365.481 2.991 10 30 FFEEMO C[C@@H]1C[N@H+](C2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)CCO1 ZINC000160564121 509003466 /nfs/dbraw/zinc/00/34/66/509003466.db2.gz NQLDIMLISFVDKR-XLIONFOSSA-N 1 1 370.497 2.926 10 30 FFEEMO C=C(C)COc1cc(CN2CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C2)ccc1OC ZINC000120768836 509061190 /nfs/dbraw/zinc/06/11/90/509061190.db2.gz MUCJMRKJYFSLOG-MJGOQNOKSA-N 1 1 362.514 2.927 10 30 FFEEMO C[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000191799876 509186834 /nfs/dbraw/zinc/18/68/34/509186834.db2.gz AZEFTZUVYYTSBS-UHFFFAOYSA-N 1 1 374.441 2.709 10 30 FFEEMO C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000191799876 509186843 /nfs/dbraw/zinc/18/68/43/509186843.db2.gz AZEFTZUVYYTSBS-UHFFFAOYSA-N 1 1 374.441 2.709 10 30 FFEEMO C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000162358686 509206452 /nfs/dbraw/zinc/20/64/52/509206452.db2.gz MYXOOKCDXPCRRY-HNNXBMFYSA-N 1 1 352.438 2.540 10 30 FFEEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCCSCc1ccccc1C#N ZINC000177337373 510003070 /nfs/dbraw/zinc/00/30/70/510003070.db2.gz YRSLDYRDGFIPLQ-SFHVURJKSA-N 1 1 360.527 2.917 10 30 FFEEMO CCOc1ccc(C#N)cc1NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000193733476 510041422 /nfs/dbraw/zinc/04/14/22/510041422.db2.gz QOVCSQMHEJRHSJ-OAHLLOKOSA-N 1 1 372.469 2.674 10 30 FFEEMO COc1ccc(C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)cc1OCCCC#N ZINC000245724302 510109971 /nfs/dbraw/zinc/10/99/71/510109971.db2.gz IOAJGBDBLCHOQV-PKOBYXMFSA-N 1 1 373.497 2.530 10 30 FFEEMO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@H](c4nccs4)C3)C2=O)cc1 ZINC000171637481 510265560 /nfs/dbraw/zinc/26/55/60/510265560.db2.gz QVWWTOJULDETMW-DOTOQJQBSA-N 1 1 352.463 3.000 10 30 FFEEMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@H](c4nccs4)C3)C2=O)cc1 ZINC000171637481 510265568 /nfs/dbraw/zinc/26/55/68/510265568.db2.gz QVWWTOJULDETMW-DOTOQJQBSA-N 1 1 352.463 3.000 10 30 FFEEMO COc1cc(C#N)ccc1CN1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195279141 510755316 /nfs/dbraw/zinc/75/53/16/510755316.db2.gz ZAODRISKPWGYJC-IBGZPJMESA-N 1 1 350.466 2.916 10 30 FFEEMO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195279141 510755322 /nfs/dbraw/zinc/75/53/22/510755322.db2.gz ZAODRISKPWGYJC-IBGZPJMESA-N 1 1 350.466 2.916 10 30 FFEEMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195279141 510755330 /nfs/dbraw/zinc/75/53/30/510755330.db2.gz ZAODRISKPWGYJC-IBGZPJMESA-N 1 1 350.466 2.916 10 30 FFEEMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2[C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000281417320 511840203 /nfs/dbraw/zinc/84/02/03/511840203.db2.gz ONSZRUPQEKDHFK-QSGXVVIFSA-N 1 1 373.522 2.987 10 30 FFEEMO Cc1cn2c(n1)[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)CCC2 ZINC000328698236 511916376 /nfs/dbraw/zinc/91/63/76/511916376.db2.gz HLTNIMSTAWRNMV-RBUKOAKNSA-N 1 1 367.497 2.972 10 30 FFEEMO Cc1cn2c(n1)[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)CCC2 ZINC000328698236 511916382 /nfs/dbraw/zinc/91/63/82/511916382.db2.gz HLTNIMSTAWRNMV-RBUKOAKNSA-N 1 1 367.497 2.972 10 30 FFEEMO Cc1csc([C@H]2CN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CCO2)n1 ZINC000328757898 511927234 /nfs/dbraw/zinc/92/72/34/511927234.db2.gz VIVTWLWUILSEBU-WTXIUTQJSA-N 1 1 364.515 2.754 10 30 FFEEMO CN(CC1CC[NH+](C)CC1)C([O-])=[NH+][C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329188834 512000859 /nfs/dbraw/zinc/00/08/59/512000859.db2.gz BSRZOGNKHZYVPR-INIZCTEOSA-N 1 1 361.534 2.683 10 30 FFEEMO Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)on1 ZINC000329592831 512074446 /nfs/dbraw/zinc/07/44/46/512074446.db2.gz ULHYZCCXOCKWJE-VGWMRTNUSA-N 1 1 352.454 2.582 10 30 FFEEMO C#CCOC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1OC ZINC000036102953 518310870 /nfs/dbraw/zinc/31/08/70/518310870.db2.gz MXBLDIQMICVXGV-HXUWFJFHSA-N 1 1 357.425 2.847 10 30 FFEEMO Cc1ccncc1NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000328633049 525756560 /nfs/dbraw/zinc/75/65/60/525756560.db2.gz SIEJXKXJIMKPPS-MAUKXSAKSA-N 1 1 356.474 2.684 10 30 FFEEMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2cccc(C#N)c2)[C@@H]1c1cnn(C)c1 ZINC000328630689 529047457 /nfs/dbraw/zinc/04/74/57/529047457.db2.gz QEJZMJGVAJNVBU-AZUAARDMSA-N 1 1 365.481 2.837 10 30 FFEEMO N#CCSCC(=O)OC[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000110120690 728530688 /nfs/dbraw/zinc/53/06/88/728530688.db2.gz XKECSQXWVFZHGM-ZDUSSCGKSA-N 1 1 354.422 2.977 10 30 FFEEMO Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CCS(=O)(=O)c3ccccc31)C2 ZINC000329782033 729798989 /nfs/dbraw/zinc/79/89/89/729798989.db2.gz NPZHSCAVAKBQSU-BBRMVZONSA-N 1 1 359.451 2.629 10 30 FFEEMO C[C@@H]1CCCC[N@H+]1CCC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000328789464 963860853 /nfs/dbraw/zinc/86/08/53/963860853.db2.gz PZKRSNURLYPIIX-GOSISDBHSA-N 1 1 372.513 2.556 10 30 FFEEMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCCN(c2ccc(C)nn2)C1 ZINC000329614591 967862000 /nfs/dbraw/zinc/86/20/00/967862000.db2.gz SCIDBEDPVNLLAT-QZTJIDSGSA-N 1 1 374.533 2.522 10 30 FFEEMO CCc1nnc(NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c(C#N)c1CC ZINC000328630089 223122020 /nfs/dbraw/zinc/12/20/20/223122020.db2.gz PNMFIHVXUMUPGY-KXBFYZLASA-N 1 1 350.470 2.973 10 30 FFEEMO N#Cc1cc(NC[C@H](O)C[N@H+]2CCc3ccccc3C2)c2ccccc2n1 ZINC000301497601 258053099 /nfs/dbraw/zinc/05/30/99/258053099.db2.gz BUWISRZWGJYAOI-IBGZPJMESA-N 1 1 358.445 2.938 10 30 FFEEMO CN(CCC#N)C(=O)CC[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000092807183 508102273 /nfs/dbraw/zinc/10/22/73/508102273.db2.gz LHMGUEHMYZHFMC-HZPDHXFCSA-N 1 1 369.387 2.575 10 30 FFEEMO CCn1cc(C[N@@H+]2CCCN(C(=O)Nc3cc(C#N)ccc3C)CC2)cn1 ZINC000112737037 508217604 /nfs/dbraw/zinc/21/76/04/508217604.db2.gz CGCRNOYVXKCCJF-UHFFFAOYSA-N 1 1 366.469 2.823 10 30 FFEEMO CCn1cc(C[N@H+]2CCCN(C(=O)Nc3cc(C#N)ccc3C)CC2)cn1 ZINC000112737037 508217608 /nfs/dbraw/zinc/21/76/08/508217608.db2.gz CGCRNOYVXKCCJF-UHFFFAOYSA-N 1 1 366.469 2.823 10 30 FFEEMO CCOCC[N@@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)C[C@H]1C ZINC000117448820 508599935 /nfs/dbraw/zinc/59/99/35/508599935.db2.gz OBHXETCJAPIXKD-MRXNPFEDSA-N 1 1 374.485 2.920 10 30 FFEEMO CCOCC[N@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)C[C@H]1C ZINC000117448820 508599938 /nfs/dbraw/zinc/59/99/38/508599938.db2.gz OBHXETCJAPIXKD-MRXNPFEDSA-N 1 1 374.485 2.920 10 30 FFEEMO C=CCNc1ncc(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)s1 ZINC000136285282 508684285 /nfs/dbraw/zinc/68/42/85/508684285.db2.gz PNSAHWZTMLZTAR-UHFFFAOYSA-N 1 1 357.483 2.843 10 30 FFEEMO N#Cc1ccccc1CSCCNC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000140174899 508800912 /nfs/dbraw/zinc/80/09/12/508800912.db2.gz HBYNCYUCWCVKOW-UHFFFAOYSA-N 1 1 358.511 2.671 10 30 FFEEMO C=C(C)COc1cc(CN2CC[N@@H+](C[C@@H](C)O)[C@H](CC)C2)ccc1OC ZINC000120768671 509060791 /nfs/dbraw/zinc/06/07/91/509060791.db2.gz MUCJMRKJYFSLOG-IEBWSBKVSA-N 1 1 362.514 2.927 10 30 FFEEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000175983334 509255085 /nfs/dbraw/zinc/25/50/85/509255085.db2.gz QUQTYIGDFBFMGH-QGZVFWFLSA-N 1 1 367.453 2.743 10 30 FFEEMO CCn1cnnc1[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173608236 509673484 /nfs/dbraw/zinc/67/34/84/509673484.db2.gz GAPDATUMTOSGIX-INIZCTEOSA-N 1 1 363.425 2.599 10 30 FFEEMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173608236 509673487 /nfs/dbraw/zinc/67/34/87/509673487.db2.gz GAPDATUMTOSGIX-INIZCTEOSA-N 1 1 363.425 2.599 10 30 FFEEMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249593925 509721134 /nfs/dbraw/zinc/72/11/34/509721134.db2.gz WFLYXCSNFZVPED-COXVUDFISA-N 1 1 355.463 2.655 10 30 FFEEMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249593925 509721140 /nfs/dbraw/zinc/72/11/40/509721140.db2.gz WFLYXCSNFZVPED-COXVUDFISA-N 1 1 355.463 2.655 10 30 FFEEMO C=CCc1ccc(OC[C@H](O)CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)c(OC)c1 ZINC000245416861 509917252 /nfs/dbraw/zinc/91/72/52/509917252.db2.gz FNIORRUMUQTNLJ-SLFFLAALSA-N 1 1 374.525 2.722 10 30 FFEEMO CC[N@H+]1CCC[C@@H](NC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000171088144 509935159 /nfs/dbraw/zinc/93/51/59/509935159.db2.gz YMDQUTVACWEIFD-QGZVFWFLSA-N 1 1 353.422 2.944 10 30 FFEEMO CN(CCC#N)C(=O)CC[N@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000245536475 509988846 /nfs/dbraw/zinc/98/88/46/509988846.db2.gz LHMGUEHMYZHFMC-HOTGVXAUSA-N 1 1 369.387 2.575 10 30 FFEEMO C=C(C)COc1cc(CN2CC[N@@H+](C[C@H](C)O)[C@@H](CC)C2)ccc1OC ZINC000245745852 510123773 /nfs/dbraw/zinc/12/37/73/510123773.db2.gz MUCJMRKJYFSLOG-HKUYNNGSSA-N 1 1 362.514 2.927 10 30 FFEEMO Cc1nc(C[C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)no1 ZINC000245869386 510179099 /nfs/dbraw/zinc/17/90/99/510179099.db2.gz VOMPDALAZKKERM-CJNGLKHVSA-N 1 1 353.426 2.531 10 30 FFEEMO Cc1nc(C[C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)no1 ZINC000245869386 510179109 /nfs/dbraw/zinc/17/91/09/510179109.db2.gz VOMPDALAZKKERM-CJNGLKHVSA-N 1 1 353.426 2.531 10 30 FFEEMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246605424 510580138 /nfs/dbraw/zinc/58/01/38/510580138.db2.gz JFOKAKKOPQXDOF-XBPCWFMRSA-N 1 1 370.497 2.854 10 30 FFEEMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246605424 510580143 /nfs/dbraw/zinc/58/01/43/510580143.db2.gz JFOKAKKOPQXDOF-XBPCWFMRSA-N 1 1 370.497 2.854 10 30 FFEEMO N#Cc1ccsc1N1CC[C@H](N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000247065394 510824030 /nfs/dbraw/zinc/82/40/30/510824030.db2.gz ZZOUEGQNZIQMIH-SZMVWBNQSA-N 1 1 370.522 2.674 10 30 FFEEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000247544508 510865030 /nfs/dbraw/zinc/86/50/30/510865030.db2.gz YSBFFIIDPFDHEW-GJZGRUSLSA-N 1 1 372.538 2.996 10 30 FFEEMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247565327 510866028 /nfs/dbraw/zinc/86/60/28/510866028.db2.gz VPXHWBBQMPLOED-CHWSQXEVSA-N 1 1 369.494 2.658 10 30 FFEEMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247565327 510866029 /nfs/dbraw/zinc/86/60/29/510866029.db2.gz VPXHWBBQMPLOED-CHWSQXEVSA-N 1 1 369.494 2.658 10 30 FFEEMO C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000329300770 512023213 /nfs/dbraw/zinc/02/32/13/512023213.db2.gz VUDVAUHPATYIFB-PVAVHDDUSA-N 1 1 359.470 2.676 10 30 FFEEMO Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCC[C@H]2C2CCC2)CCC[N@H+]1C ZINC000329409108 512040735 /nfs/dbraw/zinc/04/07/35/512040735.db2.gz BNJIQCNBEQWLPR-JENIJYKNSA-N 1 1 359.518 2.982 10 30 FFEEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000329643529 512081902 /nfs/dbraw/zinc/08/19/02/512081902.db2.gz IXHQBVBIDDZVNQ-YLJYHZDGSA-N 1 1 367.497 2.887 10 30 FFEEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)C1 ZINC000329799331 512098863 /nfs/dbraw/zinc/09/88/63/512098863.db2.gz IDOWQPAUVYZYEG-OAGGEKHMSA-N 1 1 361.534 2.728 10 30 FFEEMO C[NH+](C)[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12)c1ccccc1Cl ZINC000329846184 512103451 /nfs/dbraw/zinc/10/34/51/512103451.db2.gz OUPXPWMGVQRZAI-NSNWQYSKSA-N 1 1 352.862 2.951 10 30 FFEEMO C#CCC(C)(C)C(=O)N1CCC([N@H+](CC)CC(=O)OC(C)(C)C)CC1 ZINC000191021191 729413975 /nfs/dbraw/zinc/41/39/75/729413975.db2.gz HBUQXRJAXSUOJV-UHFFFAOYSA-N 1 1 350.503 2.691 10 30 FFEEMO C#CCC(C)(C)C(=O)N1CCC([N@@H+](CC)CC(=O)OC(C)(C)C)CC1 ZINC000191021191 729413976 /nfs/dbraw/zinc/41/39/76/729413976.db2.gz HBUQXRJAXSUOJV-UHFFFAOYSA-N 1 1 350.503 2.691 10 30 FFEEMO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000328944009 965096081 /nfs/dbraw/zinc/09/60/81/965096081.db2.gz LRJNDBRWGGOUHN-JTQLQIEISA-N 1 1 373.379 2.651 10 30 FFEEMO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000328944009 965096091 /nfs/dbraw/zinc/09/60/91/965096091.db2.gz LRJNDBRWGGOUHN-JTQLQIEISA-N 1 1 373.379 2.651 10 30 FFEEMO CN(C)C(=O)Nc1cccc(-c2nc([C@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)c1 ZINC000329684313 967940253 /nfs/dbraw/zinc/94/02/53/967940253.db2.gz UEXXZLBLMBOGJZ-DNVCBOLYSA-N 1 1 371.441 2.770 10 30 FFEEMO Cn1cc[nH+]c1CC1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000106164726 250245891 /nfs/dbraw/zinc/24/58/91/250245891.db2.gz IKLVWTVSHIQUMC-UHFFFAOYSA-N 1 1 371.872 2.838 10 30 FFEEMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000091031806 507943887 /nfs/dbraw/zinc/94/38/87/507943887.db2.gz RXHRORGZXRJXBB-OAQYLSRUSA-N 1 1 363.461 2.716 10 30 FFEEMO C[C@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1N1CCOCC1 ZINC000156657395 508457406 /nfs/dbraw/zinc/45/74/06/508457406.db2.gz PXIVIPJOVVRHSV-YJBOKZPZSA-N 1 1 368.399 2.589 10 30 FFEEMO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C[C@@H]1C ZINC000157639986 508591058 /nfs/dbraw/zinc/59/10/58/508591058.db2.gz CAJZOXWJZRFYON-INIZCTEOSA-N 1 1 374.485 2.920 10 30 FFEEMO CCOCC[N@H+]1CCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C[C@@H]1C ZINC000157639986 508591060 /nfs/dbraw/zinc/59/10/60/508591060.db2.gz CAJZOXWJZRFYON-INIZCTEOSA-N 1 1 374.485 2.920 10 30 FFEEMO C[C@@H](c1ccc(C#N)cc1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000118398534 508648940 /nfs/dbraw/zinc/64/89/40/508648940.db2.gz QBWHXVDATTVLIV-GHTZIAJQSA-N 1 1 365.477 2.677 10 30 FFEEMO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000118398534 508648943 /nfs/dbraw/zinc/64/89/43/508648943.db2.gz QBWHXVDATTVLIV-GHTZIAJQSA-N 1 1 365.477 2.677 10 30 FFEEMO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000140480712 508805285 /nfs/dbraw/zinc/80/52/85/508805285.db2.gz MXNQCYZJEDWAMP-DNVCBOLYSA-N 1 1 359.495 2.868 10 30 FFEEMO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000140480712 508805288 /nfs/dbraw/zinc/80/52/88/508805288.db2.gz MXNQCYZJEDWAMP-DNVCBOLYSA-N 1 1 359.495 2.868 10 30 FFEEMO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000140480880 508805548 /nfs/dbraw/zinc/80/55/48/508805548.db2.gz MXNQCYZJEDWAMP-BEFAXECRSA-N 1 1 359.495 2.868 10 30 FFEEMO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000140480880 508805552 /nfs/dbraw/zinc/80/55/52/508805552.db2.gz MXNQCYZJEDWAMP-BEFAXECRSA-N 1 1 359.495 2.868 10 30 FFEEMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000154625541 508821435 /nfs/dbraw/zinc/82/14/35/508821435.db2.gz JFOKAKKOPQXDOF-JTEYQQGYSA-N 1 1 370.497 2.854 10 30 FFEEMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000154625541 508821437 /nfs/dbraw/zinc/82/14/37/508821437.db2.gz JFOKAKKOPQXDOF-JTEYQQGYSA-N 1 1 370.497 2.854 10 30 FFEEMO Cc1csc([C@@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)n1 ZINC000249857025 509774497 /nfs/dbraw/zinc/77/44/97/509774497.db2.gz DOXMXBXGGOPEOI-IAGOWNOFSA-N 1 1 357.479 2.943 10 30 FFEEMO C[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1N1CCOCC1 ZINC000177257624 509963048 /nfs/dbraw/zinc/96/30/48/509963048.db2.gz GHRKQFLEBVAUDE-QAPCUYQASA-N 1 1 352.400 2.709 10 30 FFEEMO Cc1nccn1C[C@H]1CCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245528584 509985232 /nfs/dbraw/zinc/98/52/32/509985232.db2.gz QTGZGYMWFYIZTD-UXHICEINSA-N 1 1 363.465 2.723 10 30 FFEEMO CCOCC[N@@H+]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C[C@H]1CC ZINC000187068936 510037600 /nfs/dbraw/zinc/03/76/00/510037600.db2.gz QZVAAVAHCSNNBG-LJQANCHMSA-N 1 1 355.482 2.549 10 30 FFEEMO CCOCC[N@H+]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C[C@H]1CC ZINC000187068936 510037609 /nfs/dbraw/zinc/03/76/09/510037609.db2.gz QZVAAVAHCSNNBG-LJQANCHMSA-N 1 1 355.482 2.549 10 30 FFEEMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)C#Cc2ccccc2)C1 ZINC000190548585 510197665 /nfs/dbraw/zinc/19/76/65/510197665.db2.gz COYUSKJASDHBCJ-GOSISDBHSA-N 1 1 353.491 2.784 10 30 FFEEMO Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000245921286 510207210 /nfs/dbraw/zinc/20/72/10/510207210.db2.gz GKXLOPSKJURWGI-XLIONFOSSA-N 1 1 365.481 2.991 10 30 FFEEMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000246119106 510304316 /nfs/dbraw/zinc/30/43/16/510304316.db2.gz YIYSPCMPNSZVCV-MOPGFXCFSA-N 1 1 365.481 2.789 10 30 FFEEMO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@@H](c4nccs4)C3)C2=O)cc1 ZINC000246160373 510329687 /nfs/dbraw/zinc/32/96/87/510329687.db2.gz QVWWTOJULDETMW-NVXWUHKLSA-N 1 1 352.463 3.000 10 30 FFEEMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@@H](c4nccs4)C3)C2=O)cc1 ZINC000246160373 510329693 /nfs/dbraw/zinc/32/96/93/510329693.db2.gz QVWWTOJULDETMW-NVXWUHKLSA-N 1 1 352.463 3.000 10 30 FFEEMO CCOc1cc2c(cc1CNC(=O)N[C@@H]1CCC[N@@H+](CC)C1)O[C@H](C)C2 ZINC000328799802 511934277 /nfs/dbraw/zinc/93/42/77/511934277.db2.gz XXCDLPUORKATGO-RHSMWYFYSA-N 1 1 361.486 2.897 10 30 FFEEMO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000328813779 511935342 /nfs/dbraw/zinc/93/53/42/511935342.db2.gz BWVZDHYZXOMBAJ-IAGOWNOFSA-N 1 1 362.518 2.743 10 30 FFEEMO Cn1nccc1[C@H]1[C@H](CNC(=O)NC2CCC(F)(F)CC2)CCC[N@H+]1C ZINC000329075504 511978485 /nfs/dbraw/zinc/97/84/85/511978485.db2.gz PNNFBCOQVNRQST-XJKSGUPXSA-N 1 1 369.460 2.885 10 30 FFEEMO COc1ccc(NC(=O)NC(=O)CN2C[C@H]3CCCC[N@H+]3C[C@@H]2C)cc1 ZINC000329660659 512084091 /nfs/dbraw/zinc/08/40/91/512084091.db2.gz OQGDCUYTYMQOOP-GOEBONIOSA-N 1 1 360.458 2.742 10 30 FFEEMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)Nc2nc(C)c(C)o2)[C@@H]1c1cnn(C)c1 ZINC000328635174 521614653 /nfs/dbraw/zinc/61/46/53/521614653.db2.gz UPZMXIHYWBBRIS-DOTOQJQBSA-N 1 1 374.489 2.975 10 30 FFEEMO C=CCn1c(-c2ccco2)nn(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1=S ZINC000153217025 728774807 /nfs/dbraw/zinc/77/48/07/728774807.db2.gz VMJGCQFCIYREBV-LSDHHAIUSA-N 1 1 359.499 2.986 10 30 FFEEMO CN1CC[C@@H](C[N@@H+](C)CCOc2ccc(C#N)cc2)[C@@H]1c1cccnc1 ZINC000328626813 529924692 /nfs/dbraw/zinc/92/46/92/529924692.db2.gz FKVZEVODSOGKQN-FPOVZHCZSA-N 1 1 350.466 2.957 10 30 FFEEMO C[N@H+]1CCO[C@@H]2CCN(c3c(C#N)cnc4ccc(OC(F)F)cc43)C[C@@H]21 ZINC000328991353 258126472 /nfs/dbraw/zinc/12/64/72/258126472.db2.gz SKSDRRBJSDEHPT-DLBZAZTESA-N 1 1 374.391 2.617 10 30 FFEEMO N#Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)sc2c1CCCC2 ZINC000333196981 258255608 /nfs/dbraw/zinc/25/56/08/258255608.db2.gz WLBPHQLVABMVKU-RRFJBIMHSA-N 1 1 373.522 2.920 10 30 FFEEMO C=CCc1cc(CN2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc(OC)c1O ZINC000092079207 508041566 /nfs/dbraw/zinc/04/15/66/508041566.db2.gz PZRUQSFAZAQIAC-MRXNPFEDSA-N 1 1 360.498 2.814 10 30 FFEEMO C=CCc1cc(C[NH+]2CCC(N3CCO[C@H](C)C3)CC2)cc(OC)c1O ZINC000092079207 508041568 /nfs/dbraw/zinc/04/15/68/508041568.db2.gz PZRUQSFAZAQIAC-MRXNPFEDSA-N 1 1 360.498 2.814 10 30 FFEEMO C=CCSc1ccccc1NC(=O)CN1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000106109314 508393921 /nfs/dbraw/zinc/39/39/21/508393921.db2.gz PAYBOTOWVAOYHU-INIZCTEOSA-N 1 1 363.527 2.556 10 30 FFEEMO C=CCSc1ccccc1NC(=O)CN1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000106109314 508393925 /nfs/dbraw/zinc/39/39/25/508393925.db2.gz PAYBOTOWVAOYHU-INIZCTEOSA-N 1 1 363.527 2.556 10 30 FFEEMO C=CCNc1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000129021882 508672483 /nfs/dbraw/zinc/67/24/83/508672483.db2.gz KLWUUBYZCSADMN-ZBFHGGJFSA-N 1 1 371.510 2.776 10 30 FFEEMO N#Cc1ccc(OCCC[N@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000125245692 508954346 /nfs/dbraw/zinc/95/43/46/508954346.db2.gz VIYQHYWQGFARRH-YLJYHZDGSA-N 1 1 353.466 2.802 10 30 FFEEMO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000178974690 509209769 /nfs/dbraw/zinc/20/97/69/509209769.db2.gz TXESQGLYDLHURL-OAHLLOKOSA-N 1 1 350.344 2.865 10 30 FFEEMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000178974690 509209775 /nfs/dbraw/zinc/20/97/75/509209775.db2.gz TXESQGLYDLHURL-OAHLLOKOSA-N 1 1 350.344 2.865 10 30 FFEEMO Cn1cc[nH+]c1CC1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000162390089 509214228 /nfs/dbraw/zinc/21/42/28/509214228.db2.gz DHBMLAYPHLHTKC-UHFFFAOYSA-N 1 1 366.465 2.930 10 30 FFEEMO Cc1nc(C[C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)no1 ZINC000245843899 510164439 /nfs/dbraw/zinc/16/44/39/510164439.db2.gz HYACRJBLIRYGLG-UKRRQHHQSA-N 1 1 353.426 2.531 10 30 FFEEMO Cc1nc(C[C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)no1 ZINC000245843899 510164446 /nfs/dbraw/zinc/16/44/46/510164446.db2.gz HYACRJBLIRYGLG-UKRRQHHQSA-N 1 1 353.426 2.531 10 30 FFEEMO Cc1nc(C[C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)no1 ZINC000245869389 510179976 /nfs/dbraw/zinc/17/99/76/510179976.db2.gz VOMPDALAZKKERM-CZUORRHYSA-N 1 1 353.426 2.531 10 30 FFEEMO Cc1nc(C[C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)no1 ZINC000245869389 510179978 /nfs/dbraw/zinc/17/99/78/510179978.db2.gz VOMPDALAZKKERM-CZUORRHYSA-N 1 1 353.426 2.531 10 30 FFEEMO CC[N@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000177710834 510211863 /nfs/dbraw/zinc/21/18/63/510211863.db2.gz BPBILPZIVRYZAI-ROUUACIJSA-N 1 1 372.513 2.746 10 30 FFEEMO COc1ncnc2c1C[N@H+](Cc1ccc(C#N)cc1Br)CC2 ZINC000181045104 510255331 /nfs/dbraw/zinc/25/53/31/510255331.db2.gz MFWBQRWINIXMTB-UHFFFAOYSA-N 1 1 359.227 2.678 10 30 FFEEMO COc1ncnc2c1C[N@@H+](Cc1ccc(C#N)cc1Br)CC2 ZINC000181045104 510255339 /nfs/dbraw/zinc/25/53/39/510255339.db2.gz MFWBQRWINIXMTB-UHFFFAOYSA-N 1 1 359.227 2.678 10 30 FFEEMO C=CCNc1ncc(C(=O)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)s1 ZINC000190712586 510300212 /nfs/dbraw/zinc/30/02/12/510300212.db2.gz LDTKJYWZHIXUTQ-MRXNPFEDSA-N 1 1 371.510 2.730 10 30 FFEEMO CCn1cc(C[N@@H+]2CCCN(C(=O)Nc3ccc(F)cc3C#N)CC2)cn1 ZINC000177921963 510327863 /nfs/dbraw/zinc/32/78/63/510327863.db2.gz XDTSCVBAOWXFHJ-UHFFFAOYSA-N 1 1 370.432 2.654 10 30 FFEEMO CCn1cc(C[N@H+]2CCCN(C(=O)Nc3ccc(F)cc3C#N)CC2)cn1 ZINC000177921963 510327872 /nfs/dbraw/zinc/32/78/72/510327872.db2.gz XDTSCVBAOWXFHJ-UHFFFAOYSA-N 1 1 370.432 2.654 10 30 FFEEMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000246355846 510444119 /nfs/dbraw/zinc/44/41/19/510444119.db2.gz MUGTTYXUSDWZRN-OALUTQOASA-N 1 1 354.498 2.719 10 30 FFEEMO C=C(C)COc1cccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](CC)C2)c1 ZINC000175367980 510613176 /nfs/dbraw/zinc/61/31/76/510613176.db2.gz ITESGKRUVAINJG-SJLPKXTDSA-N 1 1 361.486 2.950 10 30 FFEEMO CCc1[nH+]ccn1[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2C)C1 ZINC000172676612 510842761 /nfs/dbraw/zinc/84/27/61/510842761.db2.gz YLKOEPJFLLMZAK-INIZCTEOSA-N 1 1 358.467 2.651 10 30 FFEEMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000247642068 510867602 /nfs/dbraw/zinc/86/76/02/510867602.db2.gz TVWRGIPKLMJLMK-TUNNFDKTSA-N 1 1 366.461 2.886 10 30 FFEEMO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)C2)n1 ZINC000329922773 510878171 /nfs/dbraw/zinc/87/81/71/510878171.db2.gz UDBTWNYFYQOGEZ-AEFFLSMTSA-N 1 1 367.497 2.919 10 30 FFEEMO C[C@@H](NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1ccccn1 ZINC000330340758 510970208 /nfs/dbraw/zinc/97/02/08/510970208.db2.gz YJPHEXKKOUWCNK-JTDSTZFVSA-N 1 1 370.501 2.805 10 30 FFEEMO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCNC2=O)[C@H]1c1ccc(Cl)cc1 ZINC000328849375 511939617 /nfs/dbraw/zinc/93/96/17/511939617.db2.gz UBAOBOUEMIGCGL-RRFJBIMHSA-N 1 1 350.850 2.708 10 30 FFEEMO C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCCNC2=O)[C@H]1c1ccc(Cl)cc1 ZINC000328849375 511939620 /nfs/dbraw/zinc/93/96/20/511939620.db2.gz UBAOBOUEMIGCGL-RRFJBIMHSA-N 1 1 350.850 2.708 10 30 FFEEMO Cn1nccc1[C@H]1[C@H](CNC(=O)c2cccc3c[nH]nc32)CCC[N@H+]1C ZINC000329212049 512006746 /nfs/dbraw/zinc/00/67/46/512006746.db2.gz ZQSYQNOHBMBPOM-KBXCAEBGSA-N 1 1 352.442 2.684 10 30 FFEEMO C[C@H](NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)c1cccc(-n2ccnc2)c1 ZINC000329268953 512017229 /nfs/dbraw/zinc/01/72/29/512017229.db2.gz GUUFLUZOYLDIGN-BXWFABGCSA-N 1 1 353.470 2.873 10 30 FFEEMO O=C(C[C@@H]1CCCCC(=O)N1)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000329818132 512101393 /nfs/dbraw/zinc/10/13/93/512101393.db2.gz FRCILUSKDBUFIC-ZWKOTPCHSA-N 1 1 359.470 2.651 10 30 FFEEMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000374177134 512694169 /nfs/dbraw/zinc/69/41/69/512694169.db2.gz VDRBVBAQRYYZRQ-BCYZHJNNSA-N 1 1 361.530 2.979 10 30 FFEEMO CCc1ncsc1NC(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000328849387 729795565 /nfs/dbraw/zinc/79/55/65/729795565.db2.gz UBJKXBOFZKMKBY-UHFFFAOYSA-N 1 1 365.547 2.741 10 30 FFEEMO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000121188310 979551781 /nfs/dbraw/zinc/55/17/81/979551781.db2.gz BRDJILQNTBJKOC-UTKZUKDTSA-N 1 1 363.461 2.734 10 30 FFEEMO Cc1c(C(=O)Nc2ccc(C)c(C)c2)oc2c1C(=NNC(N)=[NH2+])CCC2 ZINC000040824812 205081417 /nfs/dbraw/zinc/08/14/17/205081417.db2.gz UGTJNPGAMFQSTK-OEAKJJBVSA-N 1 1 353.426 2.981 10 30 FFEEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3C#N)C2)n1 ZINC000106178985 250249420 /nfs/dbraw/zinc/24/94/20/250249420.db2.gz RBNITGSBBSBGBI-KRWDZBQOSA-N 1 1 366.469 2.507 10 30 FFEEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CCC(=O)Nc3sccc3C#N)C2)n1 ZINC000106181410 250250959 /nfs/dbraw/zinc/25/09/59/250250959.db2.gz JNPASBWTNZUWLR-OAHLLOKOSA-N 1 1 372.498 2.569 10 30 FFEEMO CCc1[nH+]ccn1[C@@H]1CCCN(CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000106214529 250254954 /nfs/dbraw/zinc/25/49/54/250254954.db2.gz GXPYVRSATKGIRD-OAHLLOKOSA-N 1 1 355.442 2.803 10 30 FFEEMO CCc1[nH+]ccn1[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000106214876 250255764 /nfs/dbraw/zinc/25/57/64/250255764.db2.gz OHUKFJJORVISQE-DOTOQJQBSA-N 1 1 351.454 2.981 10 30 FFEEMO CCn1cc(C[N@@H+]2CCCN(c3cc(C(C)=O)ccc3C#N)CC2)cn1 ZINC000273235808 252260167 /nfs/dbraw/zinc/26/01/67/252260167.db2.gz SJZDYIXTBQKJIL-UHFFFAOYSA-N 1 1 351.454 2.690 10 30 FFEEMO CCn1cc(C[N@H+]2CCCN(c3cc(C(C)=O)ccc3C#N)CC2)cn1 ZINC000273235808 252260170 /nfs/dbraw/zinc/26/01/70/252260170.db2.gz SJZDYIXTBQKJIL-UHFFFAOYSA-N 1 1 351.454 2.690 10 30 FFEEMO CN(Cc1cc(F)ccc1C#N)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000286749499 257053257 /nfs/dbraw/zinc/05/32/57/257053257.db2.gz LPDABNKZMPAODI-OXJNMPFZSA-N 1 1 355.461 2.946 10 30 FFEEMO Cn1nccc1[C@H]1[C@H](C[N@H+](C)Cc2cc(F)ccc2C#N)CCCN1C ZINC000286749499 257053258 /nfs/dbraw/zinc/05/32/58/257053258.db2.gz LPDABNKZMPAODI-OXJNMPFZSA-N 1 1 355.461 2.946 10 30 FFEEMO Cn1nccc1[C@H]1[C@H](C[N@@H+](C)Cc2cc(F)ccc2C#N)CCCN1C ZINC000286749499 257053259 /nfs/dbraw/zinc/05/32/59/257053259.db2.gz LPDABNKZMPAODI-OXJNMPFZSA-N 1 1 355.461 2.946 10 30 FFEEMO CC[NH+]1CCC[C@@H](Nc2ccc(C#N)c(N[C@@H]3CCC[N@H+](CC)C3)n2)C1 ZINC000302828325 258111629 /nfs/dbraw/zinc/11/16/29/258111629.db2.gz IOLHRPSWEBJGDY-QZTJIDSGSA-N 1 1 356.518 2.746 10 30 FFEEMO CC[NH+]1CCC[C@@H](Nc2ccc(C#N)c(N[C@@H]3CCC[N@@H+](CC)C3)n2)C1 ZINC000302828325 258111630 /nfs/dbraw/zinc/11/16/30/258111630.db2.gz IOLHRPSWEBJGDY-QZTJIDSGSA-N 1 1 356.518 2.746 10 30 FFEEMO Cc1cc(F)cc2c1ncc(C#N)c2N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000301577734 258056713 /nfs/dbraw/zinc/05/67/13/258056713.db2.gz OHUQIPKUKARXNN-RDTXWAMCSA-N 1 1 354.429 2.711 10 30 FFEEMO C[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000108606612 507908158 /nfs/dbraw/zinc/90/81/58/507908158.db2.gz GKVVTMJTLLPKOH-HNNXBMFYSA-N 1 1 374.510 2.621 10 30 FFEEMO N#Cc1ccc(N2CC[NH+](CCOCCOc3ccccc3)CC2)c(F)c1 ZINC000110299098 508019543 /nfs/dbraw/zinc/01/95/43/508019543.db2.gz PKYUIJSAQHIYFS-UHFFFAOYSA-N 1 1 369.440 2.915 10 30 FFEEMO Cc1cnn([C@H]2CCC[N@H+](CC(=O)N(CCC#N)c3ccccc3)C2)c1 ZINC000106224765 508398149 /nfs/dbraw/zinc/39/81/49/508398149.db2.gz CTXFDGOLKIYYDW-IBGZPJMESA-N 1 1 351.454 2.775 10 30 FFEEMO Cc1cnn([C@H]2CCC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C2)c1 ZINC000106224765 508398150 /nfs/dbraw/zinc/39/81/50/508398150.db2.gz CTXFDGOLKIYYDW-IBGZPJMESA-N 1 1 351.454 2.775 10 30 FFEEMO N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000127363347 508438623 /nfs/dbraw/zinc/43/86/23/508438623.db2.gz XZEOWUDNWYMUEP-QZTJIDSGSA-N 1 1 351.454 2.747 10 30 FFEEMO N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000127363347 508438627 /nfs/dbraw/zinc/43/86/27/508438627.db2.gz XZEOWUDNWYMUEP-QZTJIDSGSA-N 1 1 351.454 2.747 10 30 FFEEMO CC[C@H]1CN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC[N@H+]1CCOC ZINC000157640416 508591013 /nfs/dbraw/zinc/59/10/13/508591013.db2.gz OUURDEJLJQBUTK-SFHVURJKSA-N 1 1 374.485 2.920 10 30 FFEEMO COCC[N@@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)C[C@H]1C ZINC000117448790 508599168 /nfs/dbraw/zinc/59/91/68/508599168.db2.gz ZTXVQSGEZTVWLD-OAHLLOKOSA-N 1 1 360.458 2.530 10 30 FFEEMO COCC[N@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)C[C@H]1C ZINC000117448790 508599170 /nfs/dbraw/zinc/59/91/70/508599170.db2.gz ZTXVQSGEZTVWLD-OAHLLOKOSA-N 1 1 360.458 2.530 10 30 FFEEMO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000178974681 509210019 /nfs/dbraw/zinc/21/00/19/509210019.db2.gz TXESQGLYDLHURL-HNNXBMFYSA-N 1 1 350.344 2.865 10 30 FFEEMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000178974681 509210021 /nfs/dbraw/zinc/21/00/21/509210021.db2.gz TXESQGLYDLHURL-HNNXBMFYSA-N 1 1 350.344 2.865 10 30 FFEEMO C=CC[C@H](CO)NC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248593166 509380815 /nfs/dbraw/zinc/38/08/15/509380815.db2.gz RWIDAPCGCDDKMA-VBQJREDUSA-N 1 1 369.868 2.708 10 30 FFEEMO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000170643719 509692792 /nfs/dbraw/zinc/69/27/92/509692792.db2.gz JLNRWXXRKSSQQU-JLSDUUJJSA-N 1 1 355.438 2.693 10 30 FFEEMO C=C(C)[C@H](NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000251739329 509820706 /nfs/dbraw/zinc/82/07/06/509820706.db2.gz QCUQKSSPEFCZQY-IYOUNJFTSA-N 1 1 367.440 2.679 10 30 FFEEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000190594700 510229400 /nfs/dbraw/zinc/22/94/00/510229400.db2.gz FSOPGUOJELSFIJ-OAHLLOKOSA-N 1 1 370.403 2.826 10 30 FFEEMO CN(C(=O)C[N@H+]1CC[C@H](CNc2ccccn2)C1)C1(C#N)CCCCC1 ZINC000171645785 510276224 /nfs/dbraw/zinc/27/62/24/510276224.db2.gz YQIZSBWYBLVUPI-QGZVFWFLSA-N 1 1 355.486 2.500 10 30 FFEEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000247469858 510861806 /nfs/dbraw/zinc/86/18/06/510861806.db2.gz ROQXZASUVAHBSE-IRXDYDNUSA-N 1 1 350.466 2.906 10 30 FFEEMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247556272 510865662 /nfs/dbraw/zinc/86/56/62/510865662.db2.gz UDECUHOIIXQMJB-ZEVUXNIQSA-N 1 1 357.502 2.529 10 30 FFEEMO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2c(C)nn(C)c2C)C1 ZINC000329019093 511967832 /nfs/dbraw/zinc/96/78/32/511967832.db2.gz RUFYPZRWNLRKBE-LSDHHAIUSA-N 1 1 359.478 2.504 10 30 FFEEMO CCn1cnnc1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2c(C)nn(C)c2C)C1 ZINC000329019093 511967840 /nfs/dbraw/zinc/96/78/40/511967840.db2.gz RUFYPZRWNLRKBE-LSDHHAIUSA-N 1 1 359.478 2.504 10 30 FFEEMO Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@H]2CCCC(F)(F)C2)CCC[N@H+]1C ZINC000329062786 511976093 /nfs/dbraw/zinc/97/60/93/511976093.db2.gz OAMZPHRHEYMJNY-OFQRWUPVSA-N 1 1 369.460 2.885 10 30 FFEEMO CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCn3cncc3C2)[C@@H]1c1ccccc1 ZINC000329080754 511978711 /nfs/dbraw/zinc/97/87/11/511978711.db2.gz RIPCJAXZBNTRHH-IHPCNDPISA-N 1 1 368.481 2.864 10 30 FFEEMO CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCn3cncc3C2)[C@@H]1c1ccccc1 ZINC000329080754 511978720 /nfs/dbraw/zinc/97/87/20/511978720.db2.gz RIPCJAXZBNTRHH-IHPCNDPISA-N 1 1 368.481 2.864 10 30 FFEEMO C[C@H](C(=O)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[NH+]1CCSCC1 ZINC000329301483 512023081 /nfs/dbraw/zinc/02/30/81/512023081.db2.gz VVQFDZQTZBQFTA-BNOWGMLFSA-N 1 1 366.487 2.561 10 30 FFEEMO CCn1cc(C[N@@H+]2CCCN(c3cc(C#N)ccc3C(C)=O)CC2)cn1 ZINC000302117022 258089351 /nfs/dbraw/zinc/08/93/51/258089351.db2.gz RXSQHULPLZFCBY-UHFFFAOYSA-N 1 1 351.454 2.690 10 30 FFEEMO CCn1cc(C[N@H+]2CCCN(c3cc(C#N)ccc3C(C)=O)CC2)cn1 ZINC000302117022 258089352 /nfs/dbraw/zinc/08/93/52/258089352.db2.gz RXSQHULPLZFCBY-UHFFFAOYSA-N 1 1 351.454 2.690 10 30 FFEEMO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000046280355 507111397 /nfs/dbraw/zinc/11/13/97/507111397.db2.gz XBRYHCXXYONUAX-SFHVURJKSA-N 1 1 371.529 2.506 10 30 FFEEMO COc1ccc(C[NH2+][C@H]2CCCn3nc(C)nc32)cc1OCCCC#N ZINC000083475683 508246199 /nfs/dbraw/zinc/24/61/99/508246199.db2.gz SIVSKQIXQVAVKB-INIZCTEOSA-N 1 1 355.442 2.902 10 30 FFEEMO Cc1nc2n(n1)CCC[C@H]2[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000083476110 508246461 /nfs/dbraw/zinc/24/64/61/508246461.db2.gz BRWOMWALAXKYKP-GOSISDBHSA-N 1 1 361.453 2.988 10 30 FFEEMO C=C(C)CN1CCC([NH2+]Cc2cc3c(cc2OCCOC)OCO3)CC1 ZINC000106244917 508398522 /nfs/dbraw/zinc/39/85/22/508398522.db2.gz SDSSBRDBERFKNB-UHFFFAOYSA-N 1 1 362.470 2.571 10 30 FFEEMO Cn1cc([C@H]2CC[N@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)cn1 ZINC000116408232 508508682 /nfs/dbraw/zinc/50/86/82/508508682.db2.gz AJMPGGVDWSANMM-HNNXBMFYSA-N 1 1 371.872 2.810 10 30 FFEEMO Cn1cc([C@H]2CC[N@@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)cn1 ZINC000116408232 508508686 /nfs/dbraw/zinc/50/86/86/508508686.db2.gz AJMPGGVDWSANMM-HNNXBMFYSA-N 1 1 371.872 2.810 10 30 FFEEMO Cn1cc[nH+]c1CC1CCN(C(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000128405248 508587791 /nfs/dbraw/zinc/58/77/91/508587791.db2.gz FJLCMDBFEIQWKL-UHFFFAOYSA-N 1 1 355.417 2.595 10 30 FFEEMO C[N@@H+](CCCOc1cccc(C#N)c1)C1CCN(CCn2cccn2)CC1 ZINC000156186056 509141075 /nfs/dbraw/zinc/14/10/75/509141075.db2.gz IYQRIRABKOYSDM-UHFFFAOYSA-N 1 1 367.497 2.620 10 30 FFEEMO C[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000192159466 509380945 /nfs/dbraw/zinc/38/09/45/509380945.db2.gz AXCALSVMPXENPN-GOSISDBHSA-N 1 1 371.481 2.826 10 30 FFEEMO C[N@@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000192159466 509380955 /nfs/dbraw/zinc/38/09/55/509380955.db2.gz AXCALSVMPXENPN-GOSISDBHSA-N 1 1 371.481 2.826 10 30 FFEEMO CCOCC[N@H+]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1C ZINC000180100429 509751329 /nfs/dbraw/zinc/75/13/29/509751329.db2.gz CBPRIQVQQDEKLW-KRWDZBQOSA-N 1 1 367.497 2.501 10 30 FFEEMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245446499 509942986 /nfs/dbraw/zinc/94/29/86/509942986.db2.gz LDWHTUNHTRQHTH-WXNRQPJFSA-N 1 1 357.502 2.876 10 30 FFEEMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245446499 509942993 /nfs/dbraw/zinc/94/29/93/509942993.db2.gz LDWHTUNHTRQHTH-WXNRQPJFSA-N 1 1 357.502 2.876 10 30 FFEEMO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193646540 510004606 /nfs/dbraw/zinc/00/46/06/510004606.db2.gz YWUSBZPLOLJHCV-HRCADAONSA-N 1 1 358.511 2.513 10 30 FFEEMO C[N@H+]1CC[C@@H](NC(=O)NCc2ccc(OCC#N)cc2)[C@H]1c1ccccc1 ZINC000245647789 510060114 /nfs/dbraw/zinc/06/01/14/510060114.db2.gz LZGIQBPTIZBTKR-WOJBJXKFSA-N 1 1 364.449 2.834 10 30 FFEEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccccc2-c2ccccc2C#N)C[C@H]1C ZINC000174328438 510061891 /nfs/dbraw/zinc/06/18/91/510061891.db2.gz OQWXDHGKNXQVDG-IAGOWNOFSA-N 1 1 363.461 2.752 10 30 FFEEMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccccc2-c2ccccc2C#N)C[C@H]1C ZINC000174328438 510061898 /nfs/dbraw/zinc/06/18/98/510061898.db2.gz OQWXDHGKNXQVDG-IAGOWNOFSA-N 1 1 363.461 2.752 10 30 FFEEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)CCc2ccc(C#N)cc2)C1 ZINC000190586806 510223994 /nfs/dbraw/zinc/22/39/94/510223994.db2.gz ORQHPUJMOHRJAK-OAQYLSRUSA-N 1 1 362.477 2.866 10 30 FFEEMO C=CCSCCNC(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190702667 510294352 /nfs/dbraw/zinc/29/43/52/510294352.db2.gz YKWOXVQYHIOPSB-HNNXBMFYSA-N 1 1 368.572 2.834 10 30 FFEEMO N#Cc1c(NC(=O)CN2CC[N@H+]3CCCC[C@H]3C2)sc2c1CCCCC2 ZINC000246116300 510303547 /nfs/dbraw/zinc/30/35/47/510303547.db2.gz AAOWPGMLDGYNIM-HNNXBMFYSA-N 1 1 372.538 2.997 10 30 FFEEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000175043027 510456077 /nfs/dbraw/zinc/45/60/77/510456077.db2.gz KXVXJXGXADMONH-HUUCEWRRSA-N 1 1 372.538 2.996 10 30 FFEEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000182006944 510705386 /nfs/dbraw/zinc/70/53/86/510705386.db2.gz ZJFYJCJXPHXLHL-IBGZPJMESA-N 1 1 350.470 2.547 10 30 FFEEMO C=C(C)CN(CC)C(=O)CN1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195254213 510739017 /nfs/dbraw/zinc/73/90/17/510739017.db2.gz FJCYFYKWCUQILF-QGZVFWFLSA-N 1 1 364.559 2.630 10 30 FFEEMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000195254213 510739024 /nfs/dbraw/zinc/73/90/24/510739024.db2.gz FJCYFYKWCUQILF-QGZVFWFLSA-N 1 1 364.559 2.630 10 30 FFEEMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000195254213 510739030 /nfs/dbraw/zinc/73/90/30/510739030.db2.gz FJCYFYKWCUQILF-QGZVFWFLSA-N 1 1 364.559 2.630 10 30 FFEEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)/C=C/c1cccc(C#N)c1 ZINC000247132250 510842858 /nfs/dbraw/zinc/84/28/58/510842858.db2.gz HCOTVAWANGMHNM-RXCYARQYSA-N 1 1 360.461 2.993 10 30 FFEEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000247375472 510858970 /nfs/dbraw/zinc/85/89/70/510858970.db2.gz PLAMMOSRMJTSGB-IEBWSBKVSA-N 1 1 369.513 2.509 10 30 FFEEMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000330200256 510936298 /nfs/dbraw/zinc/93/62/98/510936298.db2.gz ACIATVXCMVVLSZ-NSISKUIASA-N 1 1 373.497 2.616 10 30 FFEEMO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000328599303 511889347 /nfs/dbraw/zinc/88/93/47/511889347.db2.gz BWOAAFQMVSGPEZ-XJIZNKBASA-N 1 1 362.518 2.598 10 30 FFEEMO Cc1cc(NC(=O)C[N@@H+](C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)on1 ZINC000328631565 511901443 /nfs/dbraw/zinc/90/14/43/511901443.db2.gz KQKXMDFMNMUAOC-LLVKDONJSA-N 1 1 371.363 2.981 10 30 FFEEMO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3n[nH]nc3C2)[C@@H]1c1ccc(Cl)cc1 ZINC000328962031 511957455 /nfs/dbraw/zinc/95/74/55/511957455.db2.gz KYDKIZLBXCBNFA-PVUWLOKVSA-N 1 1 359.861 2.965 10 30 FFEEMO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3n[nH]nc3C2)[C@@H]1c1ccc(Cl)cc1 ZINC000328962031 511957461 /nfs/dbraw/zinc/95/74/61/511957461.db2.gz KYDKIZLBXCBNFA-PVUWLOKVSA-N 1 1 359.861 2.965 10 30 FFEEMO N#Cc1c(NC(=O)CC[N@H+]2C[C@H](F)C[C@@H]2CO)sc2c1CCCCC2 ZINC000372514169 512911547 /nfs/dbraw/zinc/91/15/47/512911547.db2.gz MODURBGDRSOOEY-CHWSQXEVSA-N 1 1 365.474 2.622 10 30 FFEEMO N#Cc1c(NC(=O)CC[N@@H+]2C[C@H](F)C[C@@H]2CO)sc2c1CCCCC2 ZINC000372514169 512911550 /nfs/dbraw/zinc/91/15/50/512911550.db2.gz MODURBGDRSOOEY-CHWSQXEVSA-N 1 1 365.474 2.622 10 30 FFEEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CC(=O)NC(=O)NCc1cccs1 ZINC000329629393 729798263 /nfs/dbraw/zinc/79/82/63/729798263.db2.gz HMYUDKSAXQLJEB-ZIAGYGMSSA-N 1 1 350.488 2.677 10 30 FFEEMO Cn1ccnc1C[NH+]1CCC(C(=O)N[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000329173244 967536448 /nfs/dbraw/zinc/53/64/48/967536448.db2.gz LKWTZEUYGIAERK-SFHVURJKSA-N 1 1 367.497 2.868 10 30 FFEEMO CN(C)C(=O)Nc1cccc(-c2nc([C@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)c1 ZINC000329684310 967940891 /nfs/dbraw/zinc/94/08/91/967940891.db2.gz UEXXZLBLMBOGJZ-BEFAXECRSA-N 1 1 371.441 2.770 10 30 FFEEMO Cc1ccc([C@H](C)NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c(C)c1 ZINC000330129604 970440991 /nfs/dbraw/zinc/44/09/91/970440991.db2.gz KBIJXUVAZZYMIN-PKOBYXMFSA-N 1 1 372.513 2.517 10 30 FFEEMO CCN(CC)S(=O)(=O)c1ccc(N=C2NC(=[NH2+])c3ccccc32)cc1 ZINC000040802575 205081284 /nfs/dbraw/zinc/08/12/84/205081284.db2.gz XQNIKVJPTRJRMN-UHFFFAOYSA-N 1 1 356.451 2.514 10 30 FFEEMO CCc1[nH+]ccn1[C@H]1CCCN([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000252352957 251309818 /nfs/dbraw/zinc/30/98/18/251309818.db2.gz OHUKFJJORVISQE-WBVHZDCISA-N 1 1 351.454 2.981 10 30 FFEEMO CC[NH+]1CCC[C@H](Nc2ccc(C#N)c(N[C@H]3CCC[N@H+](CC)C3)n2)C1 ZINC000302828326 258111875 /nfs/dbraw/zinc/11/18/75/258111875.db2.gz IOLHRPSWEBJGDY-ROUUACIJSA-N 1 1 356.518 2.746 10 30 FFEEMO CC[NH+]1CCC[C@H](Nc2ccc(C#N)c(N[C@H]3CCC[N@@H+](CC)C3)n2)C1 ZINC000302828326 258111876 /nfs/dbraw/zinc/11/18/76/258111876.db2.gz IOLHRPSWEBJGDY-ROUUACIJSA-N 1 1 356.518 2.746 10 30 FFEEMO Cc1cc(C)c2ncc(C#N)c(N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)c2c1 ZINC000301535097 258054258 /nfs/dbraw/zinc/05/42/58/258054258.db2.gz AGMDYODLVQOPDE-APWZRJJASA-N 1 1 350.466 2.880 10 30 FFEEMO C=CCn1c(C)cc(C(=O)C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1C ZINC000106077616 508391430 /nfs/dbraw/zinc/39/14/30/508391430.db2.gz VGPOLJIRTMNMRV-GOSISDBHSA-N 1 1 367.497 2.864 10 30 FFEEMO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1C ZINC000106077616 508391432 /nfs/dbraw/zinc/39/14/32/508391432.db2.gz VGPOLJIRTMNMRV-GOSISDBHSA-N 1 1 367.497 2.864 10 30 FFEEMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000106175186 508396786 /nfs/dbraw/zinc/39/67/86/508396786.db2.gz HBRFLZOWGKUMJY-MRXNPFEDSA-N 1 1 371.510 2.907 10 30 FFEEMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000106175186 508396787 /nfs/dbraw/zinc/39/67/87/508396787.db2.gz HBRFLZOWGKUMJY-MRXNPFEDSA-N 1 1 371.510 2.907 10 30 FFEEMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000106218382 508398305 /nfs/dbraw/zinc/39/83/05/508398305.db2.gz IYQMAGDECANYCM-CVEARBPZSA-N 1 1 359.499 2.580 10 30 FFEEMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000106218382 508398306 /nfs/dbraw/zinc/39/83/06/508398306.db2.gz IYQMAGDECANYCM-CVEARBPZSA-N 1 1 359.499 2.580 10 30 FFEEMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116319868 508499444 /nfs/dbraw/zinc/49/94/44/508499444.db2.gz YKEZKXIAPIJEDH-OCCSQVGLSA-N 1 1 357.845 2.762 10 30 FFEEMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116319868 508499448 /nfs/dbraw/zinc/49/94/48/508499448.db2.gz YKEZKXIAPIJEDH-OCCSQVGLSA-N 1 1 357.845 2.762 10 30 FFEEMO Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000123118313 508639271 /nfs/dbraw/zinc/63/92/71/508639271.db2.gz FQPQLVOLRKGFCE-HNNXBMFYSA-N 1 1 364.858 2.570 10 30 FFEEMO C=C(C)[C@@H](NC(=O)N1CC[N@@H+](CCOC)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000185849220 509385854 /nfs/dbraw/zinc/38/58/54/509385854.db2.gz FNHASYHMDHNRSQ-RDTXWAMCSA-N 1 1 367.440 2.944 10 30 FFEEMO C=C(C)[C@@H](NC(=O)N1CC[N@H+](CCOC)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000185849220 509385864 /nfs/dbraw/zinc/38/58/64/509385864.db2.gz FNHASYHMDHNRSQ-RDTXWAMCSA-N 1 1 367.440 2.944 10 30 FFEEMO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@H](CNc4ccccn4)C3)o2)cc1 ZINC000173778961 509771457 /nfs/dbraw/zinc/77/14/57/509771457.db2.gz MZJRXEHQXMPWLX-MRXNPFEDSA-N 1 1 360.421 2.937 10 30 FFEEMO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@H](CNc4ccccn4)C3)o2)cc1 ZINC000173778961 509771463 /nfs/dbraw/zinc/77/14/63/509771463.db2.gz MZJRXEHQXMPWLX-MRXNPFEDSA-N 1 1 360.421 2.937 10 30 FFEEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccccc1OCC#N ZINC000252444686 509837727 /nfs/dbraw/zinc/83/77/27/509837727.db2.gz ZQSGIHVWSIKRPQ-QFBILLFUSA-N 1 1 364.449 2.624 10 30 FFEEMO C=C(C)COc1cccc(NC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1 ZINC000177827915 510275656 /nfs/dbraw/zinc/27/56/56/510275656.db2.gz DOEXNOYNDMIXRI-QFBILLFUSA-N 1 1 359.470 2.826 10 30 FFEEMO N#Cc1c(NC(=O)CC[N@@H+]2CCN3CCCC[C@H]3C2)sc2c1CCCC2 ZINC000246117125 510302878 /nfs/dbraw/zinc/30/28/78/510302878.db2.gz ADQZMOHRMWENEM-HNNXBMFYSA-N 1 1 372.538 2.997 10 30 FFEEMO N#Cc1c(NC(=O)CC[N@H+]2CCN3CCCC[C@H]3C2)sc2c1CCCC2 ZINC000246117125 510302885 /nfs/dbraw/zinc/30/28/85/510302885.db2.gz ADQZMOHRMWENEM-HNNXBMFYSA-N 1 1 372.538 2.997 10 30 FFEEMO N#Cc1ccc(NC(=O)CC[N@@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1 ZINC000246479433 510511735 /nfs/dbraw/zinc/51/17/35/510511735.db2.gz ABFWAIVJQPBGHH-LPHOPBHVSA-N 1 1 371.387 2.973 10 30 FFEEMO N#Cc1ccc(NC(=O)CC[N@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1 ZINC000246479433 510511742 /nfs/dbraw/zinc/51/17/42/510511742.db2.gz ABFWAIVJQPBGHH-LPHOPBHVSA-N 1 1 371.387 2.973 10 30 FFEEMO N#Cc1ccc(-c2nnc(C[N@H+]3C[C@@H](c4ccsc4)[C@H](CO)C3)o2)cc1 ZINC000188116390 510602303 /nfs/dbraw/zinc/60/23/03/510602303.db2.gz FUZVLTOOEKNGRX-IRXDYDNUSA-N 1 1 366.446 2.878 10 30 FFEEMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccccc2-c2ccccc2C#N)C[C@@H]1C ZINC000246761224 510659914 /nfs/dbraw/zinc/65/99/14/510659914.db2.gz OQWXDHGKNXQVDG-IRXDYDNUSA-N 1 1 363.461 2.752 10 30 FFEEMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccccc2-c2ccccc2C#N)C[C@@H]1C ZINC000246761224 510659918 /nfs/dbraw/zinc/65/99/18/510659918.db2.gz OQWXDHGKNXQVDG-IRXDYDNUSA-N 1 1 363.461 2.752 10 30 FFEEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCCOc1ccc(C#N)cc1OC ZINC000246949900 510763122 /nfs/dbraw/zinc/76/31/22/510763122.db2.gz LNOWHSSHDYBYCT-ROUUACIJSA-N 1 1 371.481 2.811 10 30 FFEEMO C=C(C)COc1cccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](CC)C2)c1 ZINC000246963946 510770782 /nfs/dbraw/zinc/77/07/82/510770782.db2.gz ITESGKRUVAINJG-WMZOPIPTSA-N 1 1 361.486 2.950 10 30 FFEEMO CC[C@@H]1CN(Cc2cc(C#N)ccc2Br)CC[N@H+]1CCOC ZINC000191784987 510828655 /nfs/dbraw/zinc/82/86/55/510828655.db2.gz SAQDAHZXEGWAAO-MRXNPFEDSA-N 1 1 366.303 2.863 10 30 FFEEMO Cc1nc([C@@H]2CCCN2C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cs1 ZINC000330196579 510934970 /nfs/dbraw/zinc/93/49/70/510934970.db2.gz QMVOEFYKQDGVEU-PBHICJAKSA-N 1 1 365.547 2.528 10 30 FFEEMO CN1CC[C@@H](C[N@@H+](C)CCOc2cccc(C#N)c2)[C@@H]1c1cccnc1 ZINC000328654155 511909640 /nfs/dbraw/zinc/90/96/40/511909640.db2.gz XGSOVUDWAJIKDC-FPOVZHCZSA-N 1 1 350.466 2.957 10 30 FFEEMO COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)C1 ZINC000329587004 512073536 /nfs/dbraw/zinc/07/35/36/512073536.db2.gz MQFBJIQFZMTYRC-AEFFLSMTSA-N 1 1 374.485 2.621 10 30 FFEEMO N#Cc1ccccc1CSCCNC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000171593764 729007937 /nfs/dbraw/zinc/00/79/37/729007937.db2.gz YKXLRHPEHAKYMC-SFHVURJKSA-N 1 1 358.511 2.671 10 30 FFEEMO CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)C1 ZINC000328869907 964933209 /nfs/dbraw/zinc/93/32/09/964933209.db2.gz DAELMHLPBLKKKS-MRXNPFEDSA-N 1 1 368.481 2.912 10 30 FFEEMO CC(C)(C)c1cn2c(n1)CC[C@H]([NH+]=C([O-])N1CC[C@H]([NH+]3CCCCC3)C1)C2 ZINC000329257530 967587660 /nfs/dbraw/zinc/58/76/60/967587660.db2.gz DYMOHAIPTXMVFJ-IRXDYDNUSA-N 1 1 373.545 2.970 10 30 FFEEMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000329672304 967933047 /nfs/dbraw/zinc/93/30/47/967933047.db2.gz UMFLWBJMXADBCE-LPHOPBHVSA-N 1 1 370.497 2.960 10 30 FFEEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3C#N)C2)n1 ZINC000106178982 250248954 /nfs/dbraw/zinc/24/89/54/250248954.db2.gz RBNITGSBBSBGBI-QGZVFWFLSA-N 1 1 366.469 2.507 10 30 FFEEMO Cc1ncc2c(c1C#N)CC[N@@H+](Cc1cn(CCC(N)=O)c3ccccc13)C2 ZINC000055575966 506784919 /nfs/dbraw/zinc/78/49/19/506784919.db2.gz OAHJDAXMLIRUAS-UHFFFAOYSA-N 1 1 373.460 2.650 10 30 FFEEMO Cc1ncc2c(c1C#N)CC[N@H+](Cc1cn(CCC(N)=O)c3ccccc13)C2 ZINC000055575966 506784928 /nfs/dbraw/zinc/78/49/28/506784928.db2.gz OAHJDAXMLIRUAS-UHFFFAOYSA-N 1 1 373.460 2.650 10 30 FFEEMO C=CCC[C@H](C[N@@H+](C)CC(=O)N(C)C)Oc1cc(C(F)(F)F)ccn1 ZINC000072433022 507790333 /nfs/dbraw/zinc/79/03/33/507790333.db2.gz NDNIDJUXGZWWDW-CQSZACIVSA-N 1 1 359.392 2.834 10 30 FFEEMO C=CCC[C@H](C[N@H+](C)CC(=O)N(C)C)Oc1cc(C(F)(F)F)ccn1 ZINC000072433022 507790337 /nfs/dbraw/zinc/79/03/37/507790337.db2.gz NDNIDJUXGZWWDW-CQSZACIVSA-N 1 1 359.392 2.834 10 30 FFEEMO C=C[C@@H](CC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000089505516 507843845 /nfs/dbraw/zinc/84/38/45/507843845.db2.gz ZYOVUVUHNMRYAJ-FPOVZHCZSA-N 1 1 355.526 2.975 10 30 FFEEMO C=CCn1c(C)cc(C(=O)CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1C ZINC000109751341 507984332 /nfs/dbraw/zinc/98/43/32/507984332.db2.gz VCRPHSJZHZGCNL-HXUWFJFHSA-N 1 1 372.557 2.576 10 30 FFEEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000113271692 508256669 /nfs/dbraw/zinc/25/66/69/508256669.db2.gz NAEKUTVIFMMBBG-UONOGXRCSA-N 1 1 358.511 2.606 10 30 FFEEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000113271690 508256757 /nfs/dbraw/zinc/25/67/57/508256757.db2.gz NAEKUTVIFMMBBG-ZIAGYGMSSA-N 1 1 358.511 2.606 10 30 FFEEMO Cn1cc([C@H]2CC[N@@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)cn1 ZINC000116314267 508497983 /nfs/dbraw/zinc/49/79/83/508497983.db2.gz VMCOUZBKYASPAZ-AWEZNQCLSA-N 1 1 357.845 2.763 10 30 FFEEMO CC(C)Oc1ccc(NC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc1C#N ZINC000157625233 508589356 /nfs/dbraw/zinc/58/93/56/508589356.db2.gz ZEGJPMQQLQPEKC-YJBOKZPZSA-N 1 1 372.469 2.530 10 30 FFEEMO COCC[N@H+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000159923337 508911867 /nfs/dbraw/zinc/91/18/67/508911867.db2.gz SZXRHGIJVJSVIZ-HNNXBMFYSA-N 1 1 356.388 2.589 10 30 FFEEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCCOc2ccc(C#N)cc2)C1 ZINC000175983354 509255217 /nfs/dbraw/zinc/25/52/17/509255217.db2.gz QUQTYIGDFBFMGH-KRWDZBQOSA-N 1 1 367.453 2.743 10 30 FFEEMO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000192101551 509346491 /nfs/dbraw/zinc/34/64/91/509346491.db2.gz DBJYZJFYSIJTEN-UHFFFAOYSA-N 1 1 371.481 2.826 10 30 FFEEMO CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000192101551 509346497 /nfs/dbraw/zinc/34/64/97/509346497.db2.gz DBJYZJFYSIJTEN-UHFFFAOYSA-N 1 1 371.481 2.826 10 30 FFEEMO C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000176900130 509754981 /nfs/dbraw/zinc/75/49/81/509754981.db2.gz PMYDTKIASBTENV-GOSISDBHSA-N 1 1 367.453 2.804 10 30 FFEEMO C=C(C)COc1cc(C[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)ccc1OC ZINC000180236719 509826983 /nfs/dbraw/zinc/82/69/83/509826983.db2.gz OZNOTEKATCVWKZ-HKUYNNGSSA-N 1 1 360.498 2.803 10 30 FFEEMO Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000177182037 509922282 /nfs/dbraw/zinc/92/22/82/509922282.db2.gz TXGMYVXGAXKHHI-SFHVURJKSA-N 1 1 368.485 2.542 10 30 FFEEMO N#Cc1ccc(-c2nnc(C[N@@H+]3CCCN(c4ccccn4)CC3)o2)cc1 ZINC000183823027 509993054 /nfs/dbraw/zinc/99/30/54/509993054.db2.gz ZJDORLNJVNLOLU-UHFFFAOYSA-N 1 1 360.421 2.716 10 30 FFEEMO N#Cc1ccc(-c2nnc(C[N@H+]3CCCN(c4ccccn4)CC3)o2)cc1 ZINC000183823027 509993062 /nfs/dbraw/zinc/99/30/62/509993062.db2.gz ZJDORLNJVNLOLU-UHFFFAOYSA-N 1 1 360.421 2.716 10 30 FFEEMO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000171604521 510248991 /nfs/dbraw/zinc/24/89/91/510248991.db2.gz SYUWSBUNTCLTEB-KRWDZBQOSA-N 1 1 365.399 2.937 10 30 FFEEMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3cccc(SCC#N)c3)C2)CC1 ZINC000175256365 510555315 /nfs/dbraw/zinc/55/53/15/510555315.db2.gz CRRWFFGKHIQAPG-GOSISDBHSA-N 1 1 372.538 2.544 10 30 FFEEMO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188058729 510570333 /nfs/dbraw/zinc/57/03/33/510570333.db2.gz UEHLWLMHUXVRGC-IRXDYDNUSA-N 1 1 358.463 2.715 10 30 FFEEMO N#Cc1c2c(sc1NC(=O)CCN1CCC[N@H+](C3CC3)CC1)CCCC2 ZINC000172347216 510683701 /nfs/dbraw/zinc/68/37/01/510683701.db2.gz ASDVUIUVBXWQOH-UHFFFAOYSA-N 1 1 372.538 2.997 10 30 FFEEMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCCN(C3CC3)CC1)CCCC2 ZINC000172347216 510683706 /nfs/dbraw/zinc/68/37/06/510683706.db2.gz ASDVUIUVBXWQOH-UHFFFAOYSA-N 1 1 372.538 2.997 10 30 FFEEMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCCN(C3CC3)CC1)CCCC2 ZINC000172347216 510683710 /nfs/dbraw/zinc/68/37/10/510683710.db2.gz ASDVUIUVBXWQOH-UHFFFAOYSA-N 1 1 372.538 2.997 10 30 FFEEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000247537077 510864815 /nfs/dbraw/zinc/86/48/15/510864815.db2.gz YBPHNWLFUNHRQI-YJBOKZPZSA-N 1 1 360.889 2.755 10 30 FFEEMO Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)no1 ZINC000328802036 511934236 /nfs/dbraw/zinc/93/42/36/511934236.db2.gz AOZQXCORMIUKGD-IXDOHACOSA-N 1 1 355.442 2.874 10 30 FFEEMO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2c(C)nn(C)c2C)C1 ZINC000329019092 511967543 /nfs/dbraw/zinc/96/75/43/511967543.db2.gz RUFYPZRWNLRKBE-HUUCEWRRSA-N 1 1 359.478 2.504 10 30 FFEEMO CCn1cnnc1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2c(C)nn(C)c2C)C1 ZINC000329019092 511967550 /nfs/dbraw/zinc/96/75/50/511967550.db2.gz RUFYPZRWNLRKBE-HUUCEWRRSA-N 1 1 359.478 2.504 10 30 FFEEMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329336898 512028936 /nfs/dbraw/zinc/02/89/36/512028936.db2.gz PLKVFXIPIIIRTL-HOTGVXAUSA-N 1 1 361.534 2.683 10 30 FFEEMO CN(C[C@H]1CCC[N@H+](C)C1)C([O-])=[NH+][C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329336898 512028942 /nfs/dbraw/zinc/02/89/42/512028942.db2.gz PLKVFXIPIIIRTL-HOTGVXAUSA-N 1 1 361.534 2.683 10 30 FFEEMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)NCc2ccoc2)[C@@H]1c1cnn(C)c1 ZINC000328634875 521614420 /nfs/dbraw/zinc/61/44/20/521614420.db2.gz UJKVRPMETPDIBP-FUHWJXTLSA-N 1 1 359.474 2.832 10 30 FFEEMO Cn1ncc2c1CCC[C@@H]2[NH+]=C([O-])N[C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329260363 967588972 /nfs/dbraw/zinc/58/89/72/967588972.db2.gz FPGKVYXEINPFFP-ZFWWWQNUSA-N 1 1 370.501 2.810 10 30 FFEEMO N#Cc1ccccc1OC1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329290169 967624160 /nfs/dbraw/zinc/62/41/60/967624160.db2.gz IIBCKCSOVJTQHO-TVRKMHQQSA-N 1 1 368.481 2.989 10 30 FFEEMO COc1cccc(C[C@H](NC(C)=O)C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)c1 ZINC000329648621 967912353 /nfs/dbraw/zinc/91/23/53/967912353.db2.gz KAGJNQAWHGYPRO-BPAFIMBUSA-N 1 1 373.497 2.668 10 30 FFEEMO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC[N@H+]1C ZINC000329676391 967935034 /nfs/dbraw/zinc/93/50/34/967935034.db2.gz UTZOPQCUSRZPOY-BZUAXINKSA-N 1 1 361.534 2.824 10 30 FFEEMO C[C@@H]1C[C@H](N(C)C([O-])=[NH+][C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC[N@@H+]1C ZINC000329676391 967935044 /nfs/dbraw/zinc/93/50/44/967935044.db2.gz UTZOPQCUSRZPOY-BZUAXINKSA-N 1 1 361.534 2.824 10 30 FFEEMO C[C@@H]1C[C@H](N(C)C([O-])=[NH+][C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC[N@H+]1C ZINC000329676391 967935051 /nfs/dbraw/zinc/93/50/51/967935051.db2.gz UTZOPQCUSRZPOY-BZUAXINKSA-N 1 1 361.534 2.824 10 30 FFEEMO Cc1cccc(N2CCC(NS(=O)(=O)c3cc(C#N)ccc3C)CC2)[nH+]1 ZINC000116904776 250322522 /nfs/dbraw/zinc/32/25/22/250322522.db2.gz ALONVNHYCQPTPW-UHFFFAOYSA-N 1 1 370.478 2.517 10 30 FFEEMO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000066437734 506519585 /nfs/dbraw/zinc/51/95/85/506519585.db2.gz ROGZPLZADFPBGR-ZHALLVOQSA-N 1 1 369.513 2.549 10 30 FFEEMO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000066437734 506519590 /nfs/dbraw/zinc/51/95/90/506519590.db2.gz ROGZPLZADFPBGR-ZHALLVOQSA-N 1 1 369.513 2.549 10 30 FFEEMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000109814728 507989599 /nfs/dbraw/zinc/98/95/99/507989599.db2.gz KTBMUYVPVJRUPX-IBGZPJMESA-N 1 1 362.433 2.624 10 30 FFEEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000113267257 508255539 /nfs/dbraw/zinc/25/55/39/508255539.db2.gz ROQXZASUVAHBSE-IAGOWNOFSA-N 1 1 350.466 2.906 10 30 FFEEMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H]1CCC2(CCCCC2)O1 ZINC000248793375 509486806 /nfs/dbraw/zinc/48/68/06/509486806.db2.gz DSOLYUMHSHHUNR-DLBZAZTESA-N 1 1 355.486 2.741 10 30 FFEEMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H]1CCC2(CCCCC2)O1 ZINC000248793375 509486815 /nfs/dbraw/zinc/48/68/15/509486815.db2.gz DSOLYUMHSHHUNR-DLBZAZTESA-N 1 1 355.486 2.741 10 30 FFEEMO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000180022323 509713507 /nfs/dbraw/zinc/71/35/07/509713507.db2.gz SCCDHXVUYVFCPW-JKSUJKDBSA-N 1 1 372.469 2.694 10 30 FFEEMO C=C(C)COc1cccc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000176891607 509747370 /nfs/dbraw/zinc/74/73/70/509747370.db2.gz HQALXLFTKUJRKZ-QGZVFWFLSA-N 1 1 359.470 2.523 10 30 FFEEMO C=C(C)[C@H](NC(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000251502751 509808630 /nfs/dbraw/zinc/80/86/30/509808630.db2.gz FNHASYHMDHNRSQ-KSSFIOAISA-N 1 1 367.440 2.944 10 30 FFEEMO C=C(C)[C@H](NC(=O)N1CC[N@H+](CCOC)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000251502751 509808638 /nfs/dbraw/zinc/80/86/38/509808638.db2.gz FNHASYHMDHNRSQ-KSSFIOAISA-N 1 1 367.440 2.944 10 30 FFEEMO C=CCNC(=O)c1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)cc1 ZINC000245436310 509930273 /nfs/dbraw/zinc/93/02/73/509930273.db2.gz UZUPDTOKALQIQL-MSOLQXFVSA-N 1 1 356.470 2.693 10 30 FFEEMO CCOc1ccc(C#N)cc1NC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000193733487 510043087 /nfs/dbraw/zinc/04/30/87/510043087.db2.gz QOVCSQMHEJRHSJ-HNNXBMFYSA-N 1 1 372.469 2.674 10 30 FFEEMO CCc1nnc(N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c(C#N)c1CC ZINC000190450043 510137661 /nfs/dbraw/zinc/13/76/61/510137661.db2.gz USIIRRNLOJKQDQ-QGZVFWFLSA-N 1 1 364.497 2.826 10 30 FFEEMO CC[N@H+]1CCC[C@@H]1CN(C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000177708741 510209254 /nfs/dbraw/zinc/20/92/54/510209254.db2.gz VHVCXCDUFMVXGL-CQSZACIVSA-N 1 1 360.527 2.853 10 30 FFEEMO CCN1CCC[C@@H]1C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000177708741 510209261 /nfs/dbraw/zinc/20/92/61/510209261.db2.gz VHVCXCDUFMVXGL-CQSZACIVSA-N 1 1 360.527 2.853 10 30 FFEEMO CCN1CCC[C@@H]1C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000177708741 510209268 /nfs/dbraw/zinc/20/92/68/510209268.db2.gz VHVCXCDUFMVXGL-CQSZACIVSA-N 1 1 360.527 2.853 10 30 FFEEMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000177777025 510246589 /nfs/dbraw/zinc/24/65/89/510246589.db2.gz NTLIVCLBNRUABD-QZTJIDSGSA-N 1 1 370.497 2.500 10 30 FFEEMO N#Cc1ccc(CN2CCC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 ZINC000246011689 510248858 /nfs/dbraw/zinc/24/88/58/510248858.db2.gz LFVCFFHWIZFZIF-JOCHJYFZSA-N 1 1 360.461 2.671 10 30 FFEEMO N#Cc1ccc(C[N@H+]2CCCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 ZINC000246011689 510248867 /nfs/dbraw/zinc/24/88/67/510248867.db2.gz LFVCFFHWIZFZIF-JOCHJYFZSA-N 1 1 360.461 2.671 10 30 FFEEMO N#Cc1ccc(C[N@@H+]2CCCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 ZINC000246011689 510248878 /nfs/dbraw/zinc/24/88/78/510248878.db2.gz LFVCFFHWIZFZIF-JOCHJYFZSA-N 1 1 360.461 2.671 10 30 FFEEMO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@@H](n3cncn3)C2)c2ccccc21 ZINC000171702822 510317768 /nfs/dbraw/zinc/31/77/68/510317768.db2.gz CMTRXIYTHWSODT-MRXNPFEDSA-N 1 1 362.437 2.666 10 30 FFEEMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@@H](n3cncn3)C2)c2ccccc21 ZINC000171702822 510317775 /nfs/dbraw/zinc/31/77/75/510317775.db2.gz CMTRXIYTHWSODT-MRXNPFEDSA-N 1 1 362.437 2.666 10 30 FFEEMO N#Cc1ccccc1N1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000246238562 510383339 /nfs/dbraw/zinc/38/33/39/510383339.db2.gz HMYLTDXJHUOZLR-HXUWFJFHSA-N 1 1 366.421 2.712 10 30 FFEEMO N#Cc1ccccc1NC(=O)CC[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246707030 510627648 /nfs/dbraw/zinc/62/76/48/510627648.db2.gz NGIBGEQAOMMNMM-KXBFYZLASA-N 1 1 371.387 2.973 10 30 FFEEMO N#Cc1ccccc1NC(=O)CC[N@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246707030 510627652 /nfs/dbraw/zinc/62/76/52/510627652.db2.gz NGIBGEQAOMMNMM-KXBFYZLASA-N 1 1 371.387 2.973 10 30 FFEEMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000178630713 510696210 /nfs/dbraw/zinc/69/62/10/510696210.db2.gz MUGTTYXUSDWZRN-RTBURBONSA-N 1 1 354.498 2.719 10 30 FFEEMO C[C@@H](NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(OCC#N)cc1 ZINC000182000263 510701038 /nfs/dbraw/zinc/70/10/38/510701038.db2.gz QEBJCOWZBJXQOU-UTKZUKDTSA-N 1 1 365.477 2.659 10 30 FFEEMO C[C@@H](NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(OCC#N)cc1 ZINC000182000263 510701045 /nfs/dbraw/zinc/70/10/45/510701045.db2.gz QEBJCOWZBJXQOU-UTKZUKDTSA-N 1 1 365.477 2.659 10 30 FFEEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)/C=C/c1ccc(OCC#N)c(OC)c1 ZINC000246860557 510715417 /nfs/dbraw/zinc/71/54/17/510715417.db2.gz DEWYQGGWJSXHSJ-IIMRFPQDSA-N 1 1 369.465 2.696 10 30 FFEEMO COc1cc(C#N)ccc1CN1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195279152 510755382 /nfs/dbraw/zinc/75/53/82/510755382.db2.gz ZAODRISKPWGYJC-LJQANCHMSA-N 1 1 350.466 2.916 10 30 FFEEMO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195279152 510755392 /nfs/dbraw/zinc/75/53/92/510755392.db2.gz ZAODRISKPWGYJC-LJQANCHMSA-N 1 1 350.466 2.916 10 30 FFEEMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195279152 510755402 /nfs/dbraw/zinc/75/54/02/510755402.db2.gz ZAODRISKPWGYJC-LJQANCHMSA-N 1 1 350.466 2.916 10 30 FFEEMO CCc1[nH+]ccn1[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2C)C1 ZINC000172676606 510842689 /nfs/dbraw/zinc/84/26/89/510842689.db2.gz YLKOEPJFLLMZAK-MRXNPFEDSA-N 1 1 358.467 2.651 10 30 FFEEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000247375488 510858949 /nfs/dbraw/zinc/85/89/49/510858949.db2.gz PLAMMOSRMJTSGB-PKOBYXMFSA-N 1 1 369.513 2.509 10 30 FFEEMO Cn1nccc1[C@H]1[C@H](CNC(=O)Nc2cccc(C#N)c2)CCC[N@H+]1C ZINC000328897654 511947888 /nfs/dbraw/zinc/94/78/88/511947888.db2.gz CUHDGIZMKAFZBL-MAUKXSAKSA-N 1 1 352.442 2.701 10 30 FFEEMO CNC(=O)[C@H]1C[N@@H+](C[C@H]2CCC3(CCCCC3)O2)C[C@@H]1c1cnn(C)c1 ZINC000329146387 511992344 /nfs/dbraw/zinc/99/23/44/511992344.db2.gz XFWUSFFZMPUCAK-KURKYZTESA-N 1 1 360.502 2.904 10 30 FFEEMO Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCC[C@@H]3CCC[C@H]32)CCC[N@H+]1C ZINC000329444188 512047393 /nfs/dbraw/zinc/04/73/93/512047393.db2.gz KOTCFRRHJWYTLM-IMBTUZDBSA-N 1 1 359.518 2.982 10 30 FFEEMO COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)C1 ZINC000329587005 512073911 /nfs/dbraw/zinc/07/39/11/512073911.db2.gz MQFBJIQFZMTYRC-WMZOPIPTSA-N 1 1 374.485 2.621 10 30 FFEEMO CC(=O)N[C@]1(c2nc(C)cs2)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000548011108 516695772 /nfs/dbraw/zinc/69/57/72/516695772.db2.gz WAMMJWIKRCDZLR-GOSISDBHSA-N 1 1 358.442 2.700 10 30 FFEEMO CC(=O)N[C@]1(c2nc(C)cs2)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000548011108 516695779 /nfs/dbraw/zinc/69/57/79/516695779.db2.gz WAMMJWIKRCDZLR-GOSISDBHSA-N 1 1 358.442 2.700 10 30 FFEEMO C=CC[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)CC=C(OCCC)[C@@H]3O5 ZINC000575417514 518216053 /nfs/dbraw/zinc/21/60/53/518216053.db2.gz XZMKWYIVVWJILD-KDXIVRHGSA-N 1 1 369.461 2.653 10 30 FFEEMO Cn1cncc1[C@H]1[C@H](C[N@@H+](C)Cc2cc(C#N)ccc2F)CCCN1C ZINC000585804696 518609435 /nfs/dbraw/zinc/60/94/35/518609435.db2.gz ZFMMDYCVSPIOAX-OXJNMPFZSA-N 1 1 355.461 2.946 10 30 FFEEMO CN(Cc1cc(C#N)ccc1F)C[C@@H]1CCC[N@H+](C)[C@H]1c1cncn1C ZINC000585804696 518609441 /nfs/dbraw/zinc/60/94/41/518609441.db2.gz ZFMMDYCVSPIOAX-OXJNMPFZSA-N 1 1 355.461 2.946 10 30 FFEEMO CN(Cc1cc(C#N)ccc1F)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cncn1C ZINC000585804696 518609445 /nfs/dbraw/zinc/60/94/45/518609445.db2.gz ZFMMDYCVSPIOAX-OXJNMPFZSA-N 1 1 355.461 2.946 10 30 FFEEMO C=CCn1c2ccccc2n(CN2CC[N@H+](CCOC)[C@@H](C)C2)c1=S ZINC000117322414 728577503 /nfs/dbraw/zinc/57/75/03/728577503.db2.gz SRNYWEZIPOEJQM-INIZCTEOSA-N 1 1 360.527 2.968 10 30 FFEEMO C=CCn1c(-c2ccco2)nn(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1=S ZINC000247190808 729595119 /nfs/dbraw/zinc/59/51/19/729595119.db2.gz VMJGCQFCIYREBV-GJZGRUSLSA-N 1 1 359.499 2.986 10 30 FFEEMO CCC1CCC(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000329228039 967567908 /nfs/dbraw/zinc/56/79/08/967567908.db2.gz ILQKVXOGXQGPGR-DAWZGUTISA-N 1 1 365.518 2.625 10 30 FFEEMO CC(C)[N@H+]1CCCN(C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329281477 967615842 /nfs/dbraw/zinc/61/58/42/967615842.db2.gz NHAWSEZREHLOGE-INIZCTEOSA-N 1 1 361.534 2.826 10 30 FFEEMO CC(C)[N@@H+]1CCCN(C([O-])=[NH+][C@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329281477 967615847 /nfs/dbraw/zinc/61/58/47/967615847.db2.gz NHAWSEZREHLOGE-INIZCTEOSA-N 1 1 361.534 2.826 10 30 FFEEMO CC(C)[N@H+]1CCCN(C([O-])=[NH+][C@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329281477 967615854 /nfs/dbraw/zinc/61/58/54/967615854.db2.gz NHAWSEZREHLOGE-INIZCTEOSA-N 1 1 361.534 2.826 10 30 FFEEMO Cc1nc(C[C@@H]2CCC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)no1 ZINC000103150233 250136452 /nfs/dbraw/zinc/13/64/52/250136452.db2.gz UALNZBQARDQSOR-INIZCTEOSA-N 1 1 353.426 2.533 10 30 FFEEMO Cc1cc(F)cc2c1ncc(C#N)c2N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000301577727 258056708 /nfs/dbraw/zinc/05/67/08/258056708.db2.gz OHUQIPKUKARXNN-KBXCAEBGSA-N 1 1 354.429 2.711 10 30 FFEEMO COc1ccc([C@@H]2C[C@H](C)[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)cc1 ZINC000076390736 508199091 /nfs/dbraw/zinc/19/90/91/508199091.db2.gz AUZUSOYXKHPGPC-FUHWJXTLSA-N 1 1 354.454 2.529 10 30 FFEEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000106211418 508397957 /nfs/dbraw/zinc/39/79/57/508397957.db2.gz MDBXIKLRIFKUMR-QGZVFWFLSA-N 1 1 357.502 2.859 10 30 FFEEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000106211418 508397958 /nfs/dbraw/zinc/39/79/58/508397958.db2.gz MDBXIKLRIFKUMR-QGZVFWFLSA-N 1 1 357.502 2.859 10 30 FFEEMO Cn1cc([C@H]2CC[N@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)cn1 ZINC000116310822 508497015 /nfs/dbraw/zinc/49/70/15/508497015.db2.gz JYKWPHJPPXWJAV-INIZCTEOSA-N 1 1 361.449 2.961 10 30 FFEEMO Cn1cc([C@H]2CC[N@@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)cn1 ZINC000116310822 508497019 /nfs/dbraw/zinc/49/70/19/508497019.db2.gz JYKWPHJPPXWJAV-INIZCTEOSA-N 1 1 361.449 2.961 10 30 FFEEMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116315911 508498276 /nfs/dbraw/zinc/49/82/76/508498276.db2.gz QHPINJAOEHWLCK-CVEARBPZSA-N 1 1 358.511 2.874 10 30 FFEEMO Cc1ccc(N2CCC(NC(=O)Cc3ccc(OCC#N)cc3)CC2)[nH+]c1 ZINC000157776710 508610554 /nfs/dbraw/zinc/61/05/54/508610554.db2.gz YBZUMFJOXUJFNK-UHFFFAOYSA-N 1 1 364.449 2.620 10 30 FFEEMO Cn1nccc1C1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000195503441 509197359 /nfs/dbraw/zinc/19/73/59/509197359.db2.gz ZLYGPSHGKUAULN-UHFFFAOYSA-N 1 1 357.845 2.763 10 30 FFEEMO C=CC[C@H](C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000189229523 509472129 /nfs/dbraw/zinc/47/21/29/509472129.db2.gz ROGQMZSWRMHZAS-FQEVSTJZSA-N 1 1 352.482 2.814 10 30 FFEEMO C=CC[C@H](C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000189229523 509472135 /nfs/dbraw/zinc/47/21/35/509472135.db2.gz ROGQMZSWRMHZAS-FQEVSTJZSA-N 1 1 352.482 2.814 10 30 FFEEMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173312467 509525272 /nfs/dbraw/zinc/52/52/72/509525272.db2.gz LDWHTUNHTRQHTH-URTYCYGZSA-N 1 1 357.502 2.876 10 30 FFEEMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173312467 509525281 /nfs/dbraw/zinc/52/52/81/509525281.db2.gz LDWHTUNHTRQHTH-URTYCYGZSA-N 1 1 357.502 2.876 10 30 FFEEMO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180017715 509712546 /nfs/dbraw/zinc/71/25/46/509712546.db2.gz LPPOJONXMSXCMJ-LJQANCHMSA-N 1 1 365.481 2.839 10 30 FFEEMO C=CC[C@H](C(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000189911668 509824719 /nfs/dbraw/zinc/82/47/19/509824719.db2.gz NYVMKNGRBCDFBD-SFTDATJTSA-N 1 1 355.526 2.975 10 30 FFEEMO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000252692428 509858164 /nfs/dbraw/zinc/85/81/64/509858164.db2.gz LVUQYUYNHNEACK-CMKODMSKSA-N 1 1 359.445 2.522 10 30 FFEEMO C=CCCO[C@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000190555376 510203777 /nfs/dbraw/zinc/20/37/77/510203777.db2.gz KRVITEUYVSTOQZ-CVEARBPZSA-N 1 1 351.516 2.713 10 30 FFEEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000190594679 510228899 /nfs/dbraw/zinc/22/88/99/510228899.db2.gz FSOPGUOJELSFIJ-HNNXBMFYSA-N 1 1 370.403 2.826 10 30 FFEEMO C[C@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCS1 ZINC000171693971 510311995 /nfs/dbraw/zinc/31/19/95/510311995.db2.gz HPLRDRJEJNFHLN-ZDUSSCGKSA-N 1 1 356.413 2.610 10 30 FFEEMO C[C@H]1C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCS1 ZINC000171693971 510312002 /nfs/dbraw/zinc/31/20/02/510312002.db2.gz HPLRDRJEJNFHLN-ZDUSSCGKSA-N 1 1 356.413 2.610 10 30 FFEEMO N#Cc1ccccc1NC(=O)CC[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188066932 510574058 /nfs/dbraw/zinc/57/40/58/510574058.db2.gz KOKBEIZCSAUSIY-IRXDYDNUSA-N 1 1 355.463 2.656 10 30 FFEEMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)cc1 ZINC000194939889 510601185 /nfs/dbraw/zinc/60/11/85/510601185.db2.gz STGXEUQJPWPFIE-HOCLYGCPSA-N 1 1 355.442 2.806 10 30 FFEEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)/C=C/c1ccccc1C#N ZINC000172307680 510658700 /nfs/dbraw/zinc/65/87/00/510658700.db2.gz MQJXNFFFRXNGSW-AQFFIDQGSA-N 1 1 360.461 2.993 10 30 FFEEMO CCOCC[N@@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OCC)C[C@H]1C ZINC000172314641 510662499 /nfs/dbraw/zinc/66/24/99/510662499.db2.gz VZFMCFHFSZCECO-OAHLLOKOSA-N 1 1 360.458 2.531 10 30 FFEEMO CCOCC[N@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OCC)C[C@H]1C ZINC000172314641 510662500 /nfs/dbraw/zinc/66/25/00/510662500.db2.gz VZFMCFHFSZCECO-OAHLLOKOSA-N 1 1 360.458 2.531 10 30 FFEEMO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000246919670 510745346 /nfs/dbraw/zinc/74/53/46/510745346.db2.gz MXNQCYZJEDWAMP-HNAYVOBHSA-N 1 1 359.495 2.868 10 30 FFEEMO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000246919670 510745352 /nfs/dbraw/zinc/74/53/52/510745352.db2.gz MXNQCYZJEDWAMP-HNAYVOBHSA-N 1 1 359.495 2.868 10 30 FFEEMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247585181 510866664 /nfs/dbraw/zinc/86/66/64/510866664.db2.gz IYQMAGDECANYCM-HZPDHXFCSA-N 1 1 359.499 2.580 10 30 FFEEMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247585181 510866665 /nfs/dbraw/zinc/86/66/65/510866665.db2.gz IYQMAGDECANYCM-HZPDHXFCSA-N 1 1 359.499 2.580 10 30 FFEEMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000281576370 511896323 /nfs/dbraw/zinc/89/63/23/511896323.db2.gz ZLWVZYYDBCWATK-XTSANDPQSA-N 1 1 367.493 2.925 10 30 FFEEMO Cc1cn2c(n1)[C@H](C[NH+]=C([O-])N1CCc3ccccc3[C@H]1CO)CCC2 ZINC000328652009 511907788 /nfs/dbraw/zinc/90/77/88/511907788.db2.gz BSBSPEZUSCNQIL-FUHWJXTLSA-N 1 1 354.454 2.575 10 30 FFEEMO Cc1cn2c(n1)[C@H](CNC(=O)N1CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C1)CCC2 ZINC000328662374 511910575 /nfs/dbraw/zinc/91/05/75/511910575.db2.gz XHEKJHVFRMTEHQ-JENIJYKNSA-N 1 1 371.529 2.932 10 30 FFEEMO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328696672 511916096 /nfs/dbraw/zinc/91/60/96/511916096.db2.gz KYIHFRHVCVUXBT-GDBMZVCRSA-N 1 1 356.426 2.968 10 30 FFEEMO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328696672 511916101 /nfs/dbraw/zinc/91/61/01/511916101.db2.gz KYIHFRHVCVUXBT-GDBMZVCRSA-N 1 1 356.426 2.968 10 30 FFEEMO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000328696676 511916180 /nfs/dbraw/zinc/91/61/80/511916180.db2.gz KYIHFRHVCVUXBT-HOCLYGCPSA-N 1 1 356.426 2.968 10 30 FFEEMO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000328696676 511916185 /nfs/dbraw/zinc/91/61/85/511916185.db2.gz KYIHFRHVCVUXBT-HOCLYGCPSA-N 1 1 356.426 2.968 10 30 FFEEMO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328696674 511916677 /nfs/dbraw/zinc/91/66/77/511916677.db2.gz KYIHFRHVCVUXBT-GOEBONIOSA-N 1 1 356.426 2.968 10 30 FFEEMO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328696674 511916679 /nfs/dbraw/zinc/91/66/79/511916679.db2.gz KYIHFRHVCVUXBT-GOEBONIOSA-N 1 1 356.426 2.968 10 30 FFEEMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000329140565 511991606 /nfs/dbraw/zinc/99/16/06/511991606.db2.gz FYFJJNOGDMRJJN-IRXDYDNUSA-N 1 1 362.518 2.888 10 30 FFEEMO C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CCS1 ZINC000329502921 512059389 /nfs/dbraw/zinc/05/93/89/512059389.db2.gz WHYPAJJMAYGIHN-HLLBOEOZSA-N 1 1 365.547 2.544 10 30 FFEEMO COc1ccc(NC(=O)NC(=O)CN2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)cc1 ZINC000329660660 512083799 /nfs/dbraw/zinc/08/37/99/512083799.db2.gz OQGDCUYTYMQOOP-HOCLYGCPSA-N 1 1 360.458 2.742 10 30 FFEEMO C[C@@H]1C[N@H+](C2CCN(c3ccc(C(F)(F)F)c(C#N)n3)CC2)CCO1 ZINC000408436075 513067079 /nfs/dbraw/zinc/06/70/79/513067079.db2.gz UJEWIPUZLNSCNL-GFCCVEGCSA-N 1 1 354.376 2.662 10 30 FFEEMO CC(C)c1nc([C@@H]2CCCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)C2)no1 ZINC000328888952 965015109 /nfs/dbraw/zinc/01/51/09/965015109.db2.gz QNNPGDYSIBFXDU-OAGGEKHMSA-N 1 1 361.490 2.913 10 30 FFEEMO N#Cc1ccccc1OC1CCC(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000329247546 967578095 /nfs/dbraw/zinc/57/80/95/967578095.db2.gz RWBHFWAGPONAGN-JLAWEPINSA-N 1 1 368.481 2.942 10 30 FFEEMO CC(C)[C@H](NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C)c1nnc2ccccn21 ZINC000329389878 967674293 /nfs/dbraw/zinc/67/42/93/967674293.db2.gz SBHDZQVQVUYVAU-VYDXJSESSA-N 1 1 356.474 2.509 10 30 FFEEMO COCC[N@H+]1CCC[C@]2(CCN(Cc3ccc(C#CC(C)(C)O)cc3)C2)C1 ZINC000011818582 506797207 /nfs/dbraw/zinc/79/72/07/506797207.db2.gz KBRLLEUAWIBVEM-QHCPKHFHSA-N 1 1 370.537 2.743 10 30 FFEEMO COCCN1CCC[C@]2(CC[N@H+](Cc3ccc(C#CC(C)(C)O)cc3)C2)C1 ZINC000011818582 506797236 /nfs/dbraw/zinc/79/72/36/506797236.db2.gz KBRLLEUAWIBVEM-QHCPKHFHSA-N 1 1 370.537 2.743 10 30 FFEEMO COCCN1CCC[C@]2(CC[N@@H+](Cc3ccc(C#CC(C)(C)O)cc3)C2)C1 ZINC000011818582 506797242 /nfs/dbraw/zinc/79/72/42/506797242.db2.gz KBRLLEUAWIBVEM-QHCPKHFHSA-N 1 1 370.537 2.743 10 30 FFEEMO CCOCC[N@H+]1CCN(c2nc(C(F)(F)F)ccc2C#N)C[C@H]1CC ZINC000115517109 508405256 /nfs/dbraw/zinc/40/52/56/508405256.db2.gz RUNHVTNHONBYCV-CQSZACIVSA-N 1 1 356.392 2.909 10 30 FFEEMO Cc1nccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000154543141 508806249 /nfs/dbraw/zinc/80/62/49/508806249.db2.gz NLKMKHXWCQIRFA-ULRHQZHYSA-N 1 1 371.529 2.975 10 30 FFEEMO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1Br ZINC000124672425 508867373 /nfs/dbraw/zinc/86/73/73/508867373.db2.gz XLIDTDUTRZMIIE-WDEREUQCSA-N 1 1 354.248 2.500 10 30 FFEEMO CCn1cc(C2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)cn1 ZINC000195500241 509193829 /nfs/dbraw/zinc/19/38/29/509193829.db2.gz MUNFDTYIDAZYCE-MRXNPFEDSA-N 1 1 357.502 2.814 10 30 FFEEMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C#N)c(O)c2)C1 ZINC000189245494 509481395 /nfs/dbraw/zinc/48/13/95/509481395.db2.gz FKKSNLSXPMMNIE-CQSZACIVSA-N 1 1 370.478 2.623 10 30 FFEEMO Cc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180040215 509721324 /nfs/dbraw/zinc/72/13/24/509721324.db2.gz WHBQWTNMJLPXJE-CQSZACIVSA-N 1 1 364.858 2.570 10 30 FFEEMO C[N@@H+](CCCOc1ccc(C#N)cc1)C1CCN(CCn2cccn2)CC1 ZINC000170942237 509862402 /nfs/dbraw/zinc/86/24/02/509862402.db2.gz ULBJPXKYVHPWDU-UHFFFAOYSA-N 1 1 367.497 2.620 10 30 FFEEMO CC[N@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000245456748 509946054 /nfs/dbraw/zinc/94/60/54/509946054.db2.gz BPBILPZIVRYZAI-QZTJIDSGSA-N 1 1 372.513 2.746 10 30 FFEEMO N#CCCN(C(=O)C[N@@H+]1CCCN(c2ccccn2)CC1)c1ccccc1 ZINC000183805683 509983918 /nfs/dbraw/zinc/98/39/18/509983918.db2.gz ZZJJIRFAUHIDFC-UHFFFAOYSA-N 1 1 363.465 2.541 10 30 FFEEMO N#CCCN(C(=O)C[N@H+]1CCCN(c2ccccn2)CC1)c1ccccc1 ZINC000183805683 509983923 /nfs/dbraw/zinc/98/39/23/509983923.db2.gz ZZJJIRFAUHIDFC-UHFFFAOYSA-N 1 1 363.465 2.541 10 30 FFEEMO C[C@@H]1C[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000245806855 510151568 /nfs/dbraw/zinc/15/15/68/510151568.db2.gz YPZMBVSVAHRJBJ-XEMDLRDOSA-N 1 1 355.482 2.796 10 30 FFEEMO C[C@@H]1C[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000245806855 510151573 /nfs/dbraw/zinc/15/15/73/510151573.db2.gz YPZMBVSVAHRJBJ-XEMDLRDOSA-N 1 1 355.482 2.796 10 30 FFEEMO Cc1nc(C[C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)no1 ZINC000245843895 510165816 /nfs/dbraw/zinc/16/58/16/510165816.db2.gz HYACRJBLIRYGLG-HIFRSBDPSA-N 1 1 353.426 2.531 10 30 FFEEMO Cc1nc(C[C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)no1 ZINC000245843895 510165822 /nfs/dbraw/zinc/16/58/22/510165822.db2.gz HYACRJBLIRYGLG-HIFRSBDPSA-N 1 1 353.426 2.531 10 30 FFEEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCc2ccc(OCC#N)cc2)C1 ZINC000172461288 510739720 /nfs/dbraw/zinc/73/97/20/510739720.db2.gz JAJLWSGYDCFCHU-KRWDZBQOSA-N 1 1 367.453 2.895 10 30 FFEEMO CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000195290123 510763697 /nfs/dbraw/zinc/76/36/97/510763697.db2.gz LEDHWUXMRMJTDT-FQEVSTJZSA-N 1 1 350.466 2.786 10 30 FFEEMO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(CCOc2cccc(C#N)c2)C1 ZINC000195290123 510763703 /nfs/dbraw/zinc/76/37/03/510763703.db2.gz LEDHWUXMRMJTDT-FQEVSTJZSA-N 1 1 350.466 2.786 10 30 FFEEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(CCOc2cccc(C#N)c2)C1 ZINC000195290123 510763709 /nfs/dbraw/zinc/76/37/09/510763709.db2.gz LEDHWUXMRMJTDT-FQEVSTJZSA-N 1 1 350.466 2.786 10 30 FFEEMO O=C(C[C@@H]1CCCCNC1=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000328854269 511940651 /nfs/dbraw/zinc/94/06/51/511940651.db2.gz JMUCPBKPJDXYNB-YJBOKZPZSA-N 1 1 359.470 2.856 10 30 FFEEMO CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000329439165 512047482 /nfs/dbraw/zinc/04/74/82/512047482.db2.gz JWRFCSDPJIVZAA-DJIMGWMZSA-N 1 1 356.532 2.953 10 30 FFEEMO CC(C)c1nc2c(n1C)CCN(C(=O)NC1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC000329824005 512102121 /nfs/dbraw/zinc/10/21/21/512102121.db2.gz ZTGBYDGNIIIGNK-MQVJKMGUSA-N 1 1 359.518 2.831 10 30 FFEEMO C[C@H]1CN(c2c(C#N)cnc3ccc(Cl)cc32)C[C@@H]1[NH+]1CCOCC1 ZINC000301568368 258056518 /nfs/dbraw/zinc/05/65/18/258056518.db2.gz LHLLBHTYOIDNKX-UGSOOPFHSA-N 1 1 356.857 2.917 10 30 FFEEMO Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@H]4OCC[N@H+](C)[C@H]4C3)c2c1 ZINC000329000944 258126258 /nfs/dbraw/zinc/12/62/58/258126258.db2.gz VVYMFHJVLWHZLE-DLBZAZTESA-N 1 1 356.857 2.978 10 30 FFEEMO C[NH+](C)C[C@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000055218521 506701454 /nfs/dbraw/zinc/70/14/54/506701454.db2.gz FHEFPWHSNKIGGU-KRWDZBQOSA-N 1 1 363.870 2.793 10 30 FFEEMO C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000055218524 506701591 /nfs/dbraw/zinc/70/15/91/506701591.db2.gz FHEFPWHSNKIGGU-QGZVFWFLSA-N 1 1 363.870 2.793 10 30 FFEEMO C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000110347982 508021875 /nfs/dbraw/zinc/02/18/75/508021875.db2.gz NVUVYQRDHIFEGX-IAGOWNOFSA-N 1 1 351.450 2.962 10 30 FFEEMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000083252241 508243673 /nfs/dbraw/zinc/24/36/73/508243673.db2.gz AWTMXUKTBVGDCL-HOTGVXAUSA-N 1 1 359.470 2.501 10 30 FFEEMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000083252241 508243674 /nfs/dbraw/zinc/24/36/74/508243674.db2.gz AWTMXUKTBVGDCL-HOTGVXAUSA-N 1 1 359.470 2.501 10 30 FFEEMO Cc1cccc(N2CCC(NC(=O)[C@@H](C)Oc3ccccc3C#N)CC2)[nH+]1 ZINC000116671071 508544648 /nfs/dbraw/zinc/54/46/48/508544648.db2.gz RPGSUNFSVYOXKR-MRXNPFEDSA-N 1 1 364.449 2.814 10 30 FFEEMO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1Br ZINC000124672644 508866980 /nfs/dbraw/zinc/86/69/80/508866980.db2.gz XLIDTDUTRZMIIE-GHMZBOCLSA-N 1 1 354.248 2.500 10 30 FFEEMO CC1([C@H]2CCC[N@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)OCCO1 ZINC000248476494 509337764 /nfs/dbraw/zinc/33/77/64/509337764.db2.gz YIHOLXLKKYIFOC-HKUYNNGSSA-N 1 1 369.465 2.529 10 30 FFEEMO CC[N@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000245475055 509958365 /nfs/dbraw/zinc/95/83/65/509958365.db2.gz RMRBPWXWZHYJSD-KGLIPLIRSA-N 1 1 360.527 2.852 10 30 FFEEMO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@]4(O)CCCC[C@H]4C3)C2=O)cc1 ZINC000245520643 509982021 /nfs/dbraw/zinc/98/20/21/509982021.db2.gz JZCDOXAFERUHDT-HFSMHLIXSA-N 1 1 353.466 2.681 10 30 FFEEMO C=CCCS(=O)(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245704271 510096493 /nfs/dbraw/zinc/09/64/93/510096493.db2.gz NWCWKJVFXJNBOW-CZUORRHYSA-N 1 1 360.882 2.967 10 30 FFEEMO C=CCCS(=O)(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245704271 510096500 /nfs/dbraw/zinc/09/65/00/510096500.db2.gz NWCWKJVFXJNBOW-CZUORRHYSA-N 1 1 360.882 2.967 10 30 FFEEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000247084992 510829133 /nfs/dbraw/zinc/82/91/33/510829133.db2.gz HYEAJEKYKRCIGM-CABCVRRESA-N 1 1 372.538 2.996 10 30 FFEEMO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000247196869 510850978 /nfs/dbraw/zinc/85/09/78/510850978.db2.gz BRDJILQNTBJKOC-DYESRHJHSA-N 1 1 363.461 2.734 10 30 FFEEMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247580726 510866389 /nfs/dbraw/zinc/86/63/89/510866389.db2.gz YKEZKXIAPIJEDH-GXTWGEPZSA-N 1 1 357.845 2.762 10 30 FFEEMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247580726 510866390 /nfs/dbraw/zinc/86/63/90/510866390.db2.gz YKEZKXIAPIJEDH-GXTWGEPZSA-N 1 1 357.845 2.762 10 30 FFEEMO CCc1nccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000247779096 510870325 /nfs/dbraw/zinc/87/03/25/510870325.db2.gz RLEKSXGVSYBLQP-QAPCUYQASA-N 1 1 351.454 2.981 10 30 FFEEMO CCc1nccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000247779096 510870326 /nfs/dbraw/zinc/87/03/26/510870326.db2.gz RLEKSXGVSYBLQP-QAPCUYQASA-N 1 1 351.454 2.981 10 30 FFEEMO CCCC(=O)N[C@@H]1CCCN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)C1 ZINC000330003748 510898737 /nfs/dbraw/zinc/89/87/37/510898737.db2.gz AMWILPKFPMYRSL-OAHLLOKOSA-N 1 1 372.473 2.584 10 30 FFEEMO Cn1cc([C@H]2[C@H](C[N@@H+](C)CCNC(=O)C3CCCC3)CCCN2C)cn1 ZINC000328646136 511906598 /nfs/dbraw/zinc/90/65/98/511906598.db2.gz SKFBBSGWEARDLI-PKOBYXMFSA-N 1 1 361.534 2.882 10 30 FFEEMO CN(CCNC(=O)C1CCCC1)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328646136 511906601 /nfs/dbraw/zinc/90/66/01/511906601.db2.gz SKFBBSGWEARDLI-PKOBYXMFSA-N 1 1 361.534 2.882 10 30 FFEEMO CN(CCNC(=O)C1CCCC1)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000328646136 511906604 /nfs/dbraw/zinc/90/66/04/511906604.db2.gz SKFBBSGWEARDLI-PKOBYXMFSA-N 1 1 361.534 2.882 10 30 FFEEMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000328761778 511928490 /nfs/dbraw/zinc/92/84/90/511928490.db2.gz YOKCGIPFSURJJL-HZPDHXFCSA-N 1 1 350.507 2.900 10 30 FFEEMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)NCCn2cccc2)[C@@H]1c1cnn(C)c1 ZINC000328618977 521614775 /nfs/dbraw/zinc/61/47/75/521614775.db2.gz FJNSRNKGHMBYSU-PKOBYXMFSA-N 1 1 372.517 2.541 10 30 FFEEMO CC[N@@H+]1CCC[C@@H](CN(C)C([O-])=[NH+]CCn2cccc2)[C@@H]1c1cnn(C)c1 ZINC000328618977 521614779 /nfs/dbraw/zinc/61/47/79/521614779.db2.gz FJNSRNKGHMBYSU-PKOBYXMFSA-N 1 1 372.517 2.541 10 30 FFEEMO CC[N@H+]1CCC[C@@H](CN(C)C([O-])=[NH+]CCn2cccc2)[C@@H]1c1cnn(C)c1 ZINC000328618977 521614783 /nfs/dbraw/zinc/61/47/83/521614783.db2.gz FJNSRNKGHMBYSU-PKOBYXMFSA-N 1 1 372.517 2.541 10 30 FFEEMO Cc1cc(N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)n2c3ccccc3nc2c1C#N ZINC000328955287 258124978 /nfs/dbraw/zinc/12/49/78/258124978.db2.gz NFRUUUUFMDQRNZ-OALUTQOASA-N 1 1 361.449 2.577 10 30 FFEEMO C=CCC[C@@H](C[N@@H+](C)Cc1cccnc1)Oc1nc(OC)cc(OC)n1 ZINC000072428287 507789111 /nfs/dbraw/zinc/78/91/11/507789111.db2.gz SSPVXPHNGJZIKV-INIZCTEOSA-N 1 1 358.442 2.734 10 30 FFEEMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000109814197 507989202 /nfs/dbraw/zinc/98/92/02/507989202.db2.gz XXFGHAXJNUWJIC-IBGZPJMESA-N 1 1 362.433 2.624 10 30 FFEEMO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)CCCCC1 ZINC000076075513 508156084 /nfs/dbraw/zinc/15/60/84/508156084.db2.gz MLHVRUAKMBEKRO-OALUTQOASA-N 1 1 355.482 2.917 10 30 FFEEMO Cc1ccc(N2CCC(NS(=O)(=O)c3cccc(C)c3C#N)CC2)[nH+]c1 ZINC000121868983 508436052 /nfs/dbraw/zinc/43/60/52/508436052.db2.gz JEKKZTCKTUKNSD-UHFFFAOYSA-N 1 1 370.478 2.517 10 30 FFEEMO C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1Br ZINC000123192014 508650146 /nfs/dbraw/zinc/65/01/46/508650146.db2.gz GEFHHJOYLSCCQC-BDJLRTHQSA-N 1 1 350.260 2.908 10 30 FFEEMO C[N@@H+](CCCOc1cccc(C#N)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000156141629 509133826 /nfs/dbraw/zinc/13/38/26/509133826.db2.gz HRLSKBLGKXLKRJ-SFHVURJKSA-N 1 1 351.454 2.718 10 30 FFEEMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2ccc(C#N)cc2)C1 ZINC000190562336 510207866 /nfs/dbraw/zinc/20/78/66/510207866.db2.gz QGZBKQSLBHZJHW-SFHVURJKSA-N 1 1 368.506 2.846 10 30 FFEEMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000246477641 510509862 /nfs/dbraw/zinc/50/98/62/510509862.db2.gz GIOHTROZMNODQX-BJLQDIEVSA-N 1 1 361.461 2.768 10 30 FFEEMO Cn1cc(C[NH+]2CCN(c3ccnc(-c4ccccc4)n3)CC2)cc1C#N ZINC000191329181 510607683 /nfs/dbraw/zinc/60/76/83/510607683.db2.gz YLJVEZMNVUDDFM-UHFFFAOYSA-N 1 1 358.449 2.676 10 30 FFEEMO CN(Cc1cccnc1)C[C@H]1CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000195280915 510757791 /nfs/dbraw/zinc/75/77/91/510757791.db2.gz OVRVTHVLTNXEQN-LJQANCHMSA-N 1 1 350.466 2.786 10 30 FFEEMO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(CCOc2ccccc2C#N)C1 ZINC000195280915 510757797 /nfs/dbraw/zinc/75/77/97/510757797.db2.gz OVRVTHVLTNXEQN-LJQANCHMSA-N 1 1 350.466 2.786 10 30 FFEEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(CCOc2ccccc2C#N)C1 ZINC000195280915 510757801 /nfs/dbraw/zinc/75/78/01/510757801.db2.gz OVRVTHVLTNXEQN-LJQANCHMSA-N 1 1 350.466 2.786 10 30 FFEEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCCOc1ccc(C#N)cc1OC ZINC000246949892 510762903 /nfs/dbraw/zinc/76/29/03/510762903.db2.gz LNOWHSSHDYBYCT-MSOLQXFVSA-N 1 1 371.481 2.811 10 30 FFEEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCc1ccc(C#N)cc1 ZINC000246974789 510776577 /nfs/dbraw/zinc/77/65/77/510776577.db2.gz KLHBTJXDPYIYPJ-OXJNMPFZSA-N 1 1 363.465 2.663 10 30 FFEEMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[N@H+](C3CC3)CC2)cc1 ZINC000172543709 510783183 /nfs/dbraw/zinc/78/31/83/510783183.db2.gz IBAPOAVPPKAVNX-SFHVURJKSA-N 1 1 354.498 2.800 10 30 FFEEMO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000330175170 510930242 /nfs/dbraw/zinc/93/02/42/510930242.db2.gz IXLDDTTXGHHWSI-WAWZGNHOSA-N 1 1 367.453 2.993 10 30 FFEEMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)[C@]1(C#N)CC12CCCC2 ZINC000333720637 511333601 /nfs/dbraw/zinc/33/36/01/511333601.db2.gz RHXRRQYDKXUTNK-YRISNDGFSA-N 1 1 369.513 2.735 10 30 FFEEMO Cc1cn2c(n1)[C@@H](CNC(=O)N1CC[C@H]3CC[C@@H](C1)[N@H+]3C(C)C)CCC2 ZINC000328718869 511921178 /nfs/dbraw/zinc/92/11/78/511921178.db2.gz QAFLDGBHVGJPED-KURKYZTESA-N 1 1 359.518 2.930 10 30 FFEEMO Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCSC(C)(C)C2)CCC[N@H+]1C ZINC000329412416 512042015 /nfs/dbraw/zinc/04/20/15/512042015.db2.gz CJDNJGPCAVAQOM-GOEBONIOSA-N 1 1 365.547 2.544 10 30 FFEEMO COc1ccc(NC(=O)NC(=O)CN2C[C@@H]3CCCC[N@H+]3C[C@H]2C)cc1 ZINC000329660661 512083695 /nfs/dbraw/zinc/08/36/95/512083695.db2.gz OQGDCUYTYMQOOP-ZBFHGGJFSA-N 1 1 360.458 2.742 10 30 FFEEMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CC[C@@H](CCO)C1 ZINC000329790627 512097726 /nfs/dbraw/zinc/09/77/26/512097726.db2.gz CXNQQBHCIHQFBQ-UMQXSMKFSA-N 1 1 357.498 2.800 10 30 FFEEMO CC[N@H+]1CCC[C@@H](CN(C)CC(=O)Nc2cc(C)no2)[C@@H]1c1cnn(C)c1 ZINC000328627613 521613850 /nfs/dbraw/zinc/61/38/50/521613850.db2.gz GILZXZGDDFMJQH-HNAYVOBHSA-N 1 1 374.489 2.710 10 30 FFEEMO C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1cncc(F)c1 ZINC000329307936 967636676 /nfs/dbraw/zinc/63/66/76/967636676.db2.gz PXAUZMPLKRKCNE-ADAWSYLGSA-N 1 1 364.465 2.769 10 30 FFEEMO CN(C)C(=O)Nc1cccc(-c2nc([C@@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)c1 ZINC000329684317 967940647 /nfs/dbraw/zinc/94/06/47/967940647.db2.gz UEXXZLBLMBOGJZ-KXBFYZLASA-N 1 1 371.441 2.770 10 30 FFEEMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCN(c2ccccc2)C1 ZINC000330027419 970074215 /nfs/dbraw/zinc/07/42/15/970074215.db2.gz NBFSIOKAFHFPNC-MRXNPFEDSA-N 1 1 364.453 2.806 10 30 FFEEMO C[NH+]1CCC(Nc2cc(Nc3cnc(C#N)cn3)ncc2-n2cccc2)CC1 ZINC000098178699 209205536 /nfs/dbraw/zinc/20/55/36/209205536.db2.gz PCNNHJICYRPRPA-UHFFFAOYSA-N 1 1 374.452 2.784 10 30 FFEEMO CC[N@H+]1CCC[C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000105174125 250202872 /nfs/dbraw/zinc/20/28/72/250202872.db2.gz MOLIGHAKDSQNSE-QGZVFWFLSA-N 1 1 356.470 2.595 10 30 FFEEMO CCc1nccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000106217619 250260338 /nfs/dbraw/zinc/26/03/38/250260338.db2.gz WYDTWNLYTLTJAF-GOSISDBHSA-N 1 1 351.454 2.983 10 30 FFEEMO C[C@H]1CN(c2c(C#N)cnc3ccc(Cl)cc32)C[C@H]1[NH+]1CCOCC1 ZINC000301568367 258056436 /nfs/dbraw/zinc/05/64/36/258056436.db2.gz LHLLBHTYOIDNKX-SCLBCKFNSA-N 1 1 356.857 2.917 10 30 FFEEMO C=CCc1cc(CN2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc(OC)c1O ZINC000092079208 508041173 /nfs/dbraw/zinc/04/11/73/508041173.db2.gz PZRUQSFAZAQIAC-INIZCTEOSA-N 1 1 360.498 2.814 10 30 FFEEMO C=CCc1cc(C[NH+]2CCC(N3CCO[C@@H](C)C3)CC2)cc(OC)c1O ZINC000092079208 508041176 /nfs/dbraw/zinc/04/11/76/508041176.db2.gz PZRUQSFAZAQIAC-INIZCTEOSA-N 1 1 360.498 2.814 10 30 FFEEMO C=CCOc1ccc(CN2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1OC ZINC000092079473 508041405 /nfs/dbraw/zinc/04/14/05/508041405.db2.gz LDGRFYWJLQXJMO-KRWDZBQOSA-N 1 1 360.498 2.945 10 30 FFEEMO C=CCOc1ccc(C[NH+]2CCC(N3CCO[C@@H](C)C3)CC2)cc1OC ZINC000092079473 508041408 /nfs/dbraw/zinc/04/14/08/508041408.db2.gz LDGRFYWJLQXJMO-KRWDZBQOSA-N 1 1 360.498 2.945 10 30 FFEEMO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[NH+](C2CC2)CC1 ZINC000105101763 508361049 /nfs/dbraw/zinc/36/10/49/508361049.db2.gz XOWBLYFWSBRZEB-UHFFFAOYSA-N 1 1 351.372 2.547 10 30 FFEEMO C=CCSc1ccccc1NC(=O)CN1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000106109312 508394206 /nfs/dbraw/zinc/39/42/06/508394206.db2.gz PAYBOTOWVAOYHU-MRXNPFEDSA-N 1 1 363.527 2.556 10 30 FFEEMO C=CCSc1ccccc1NC(=O)CN1CC[N@H+](CCOC)[C@H](C)C1 ZINC000106109312 508394209 /nfs/dbraw/zinc/39/42/09/508394209.db2.gz PAYBOTOWVAOYHU-MRXNPFEDSA-N 1 1 363.527 2.556 10 30 FFEEMO Cc1nc(CN2CCC[N@@H+](Cc3cccc(OCCCC#N)c3)CC2)no1 ZINC000127970616 508529313 /nfs/dbraw/zinc/52/93/13/508529313.db2.gz DAJITBIFXIAYHP-UHFFFAOYSA-N 1 1 369.469 2.769 10 30 FFEEMO C[C@@H](c1ccc(C#N)cc1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000118398528 508649055 /nfs/dbraw/zinc/64/90/55/508649055.db2.gz QBWHXVDATTVLIV-RXVVDRJESA-N 1 1 365.477 2.677 10 30 FFEEMO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000118398528 508649058 /nfs/dbraw/zinc/64/90/58/508649058.db2.gz QBWHXVDATTVLIV-RXVVDRJESA-N 1 1 365.477 2.677 10 30 FFEEMO CC[C@@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C[C@@H](C)O ZINC000159916843 508910838 /nfs/dbraw/zinc/91/08/38/508910838.db2.gz VAPJTPMGVNKCLY-NVXWUHKLSA-N 1 1 370.415 2.714 10 30 FFEEMO C#CCCCCC(=O)N1CCC[C@@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192158267 509379590 /nfs/dbraw/zinc/37/95/90/509379590.db2.gz KPZNLBDBHGNYGN-QGZVFWFLSA-N 1 1 350.503 2.835 10 30 FFEEMO C#CCCCCC(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192158267 509379599 /nfs/dbraw/zinc/37/95/99/509379599.db2.gz KPZNLBDBHGNYGN-QGZVFWFLSA-N 1 1 350.503 2.835 10 30 FFEEMO N#CCCn1cc(C[N@H+]2CCC[C@@H](n3cncn3)C2)c(-c2ccccc2)n1 ZINC000179464819 509457546 /nfs/dbraw/zinc/45/75/46/509457546.db2.gz LECLHCKWRYZCKG-LJQANCHMSA-N 1 1 361.453 2.892 10 30 FFEEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1cnn(-c2ncccc2C#N)c1 ZINC000186014508 509481003 /nfs/dbraw/zinc/48/10/03/509481003.db2.gz QIVBRUFQQOGLMO-JXFKEZNVSA-N 1 1 373.464 2.856 10 30 FFEEMO C=C(C)COc1cccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000176891624 509747666 /nfs/dbraw/zinc/74/76/66/509747666.db2.gz HQALXLFTKUJRKZ-KRWDZBQOSA-N 1 1 359.470 2.523 10 30 FFEEMO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000170987716 509877964 /nfs/dbraw/zinc/87/79/64/509877964.db2.gz KSUOGORPYXHWLQ-JKSUJKDBSA-N 1 1 358.511 2.799 10 30 FFEEMO C[C@@H]1C[N@H+](C2CCN(C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2)CCO1 ZINC000171151781 509971269 /nfs/dbraw/zinc/97/12/69/509971269.db2.gz RTAVBYVCRMDHOL-OAHLLOKOSA-N 1 1 373.501 2.832 10 30 FFEEMO C=C(C)COc1cc(C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)ccc1OC ZINC000245757826 510132851 /nfs/dbraw/zinc/13/28/51/510132851.db2.gz OZNOTEKATCVWKZ-PKOBYXMFSA-N 1 1 360.498 2.803 10 30 FFEEMO CC[C@@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)CC[N@H+]1C[C@H](C)O ZINC000246072164 510277521 /nfs/dbraw/zinc/27/75/21/510277521.db2.gz FBXJHSZLEJZNMH-SWLSCSKDSA-N 1 1 360.408 2.666 10 30 FFEEMO N#CCCN(C(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1)c1ccccc1 ZINC000171648180 510278553 /nfs/dbraw/zinc/27/85/53/510278553.db2.gz UMEDWVSJOKWHSC-SFHVURJKSA-N 1 1 363.465 2.762 10 30 FFEEMO N#CCCN(C(=O)C[N@H+]1CC[C@@H](CNc2ccccn2)C1)c1ccccc1 ZINC000171648180 510278566 /nfs/dbraw/zinc/27/85/66/510278566.db2.gz UMEDWVSJOKWHSC-SFHVURJKSA-N 1 1 363.465 2.762 10 30 FFEEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCc2ccc(OCC#N)cc2)C1 ZINC000172461283 510739354 /nfs/dbraw/zinc/73/93/54/510739354.db2.gz JAJLWSGYDCFCHU-QGZVFWFLSA-N 1 1 367.453 2.895 10 30 FFEEMO N#Cc1ccccc1OCc1ccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000195335646 510790154 /nfs/dbraw/zinc/79/01/54/510790154.db2.gz IRGMGANQHANZPT-INIZCTEOSA-N 1 1 351.406 2.650 10 30 FFEEMO CC[N@H+]1CCC[C@@H](CN(C)c2nnc(C)c(C)c2C#N)[C@@H]1c1cnn(C)c1 ZINC000328630394 511900233 /nfs/dbraw/zinc/90/02/33/511900233.db2.gz PUASNSHIQUPGFY-QFBILLFUSA-N 1 1 367.501 2.608 10 30 FFEEMO Cc1cn2c(n1)[C@H](C[NH+]=C([O-])N1CCc3ccccc3[C@@H]1CO)CCC2 ZINC000328652010 511907951 /nfs/dbraw/zinc/90/79/51/511907951.db2.gz BSBSPEZUSCNQIL-WMZOPIPTSA-N 1 1 354.454 2.575 10 30 FFEEMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328746704 511925426 /nfs/dbraw/zinc/92/54/26/511925426.db2.gz OSTPGJGPUKKTCR-FZKCQIBNSA-N 1 1 350.507 2.898 10 30 FFEEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000329093040 511982180 /nfs/dbraw/zinc/98/21/80/511982180.db2.gz KCMKGAMLWCESOX-ZBFHGGJFSA-N 1 1 363.531 2.843 10 30 FFEEMO CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000329176936 511999140 /nfs/dbraw/zinc/99/91/40/511999140.db2.gz MZQVLBGHVONSLZ-LSDHHAIUSA-N 1 1 350.507 2.852 10 30 FFEEMO CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N1CC[NH+](C3CCCC3)CC1)C2 ZINC000329249773 512014112 /nfs/dbraw/zinc/01/41/12/512014112.db2.gz XGQVAFOPNSRVBQ-INIZCTEOSA-N 1 1 373.545 2.970 10 30 FFEEMO CC(C)(C)c1cn2c(n1)CC[C@H]([NH+]=C([O-])N1CC[N@H+]3CCCC[C@H]3C1)C2 ZINC000329300750 512022585 /nfs/dbraw/zinc/02/25/85/512022585.db2.gz VNARRAWLDVQRRT-HOTGVXAUSA-N 1 1 359.518 2.580 10 30 FFEEMO CN1C[C@H](NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CCC1=O ZINC000329348041 512031722 /nfs/dbraw/zinc/03/17/22/512031722.db2.gz VVBGHUWTPOCNCI-DBXWQHBBSA-N 1 1 355.482 2.866 10 30 FFEEMO C[C@@H]1CCSCCN1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000329409815 512041031 /nfs/dbraw/zinc/04/10/31/512041031.db2.gz BQRZRULVBSLOEU-HLLBOEOZSA-N 1 1 365.547 2.544 10 30 FFEEMO O=C(Nc1ccnc(Sc2ccccn2)c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000329488731 512056470 /nfs/dbraw/zinc/05/64/70/512056470.db2.gz HFCUMZBAZRLMOB-HNNXBMFYSA-N 1 1 355.467 2.953 10 30 FFEEMO CC(=O)N1C[C@H](CCC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c2ccccc21 ZINC000329633168 512079496 /nfs/dbraw/zinc/07/94/96/512079496.db2.gz SFWFQWWTNMJDQO-RYRKJORJSA-N 1 1 373.497 2.983 10 30 FFEEMO C#CCOC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc(OC)c1OC ZINC000036103670 518312640 /nfs/dbraw/zinc/31/26/40/518312640.db2.gz PCEOGQGCSAMOOT-HXUWFJFHSA-N 1 1 369.461 2.717 10 30 FFEEMO N#Cc1ccccc1CSCCNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000171593760 729007957 /nfs/dbraw/zinc/00/79/57/729007957.db2.gz YKXLRHPEHAKYMC-GOSISDBHSA-N 1 1 358.511 2.671 10 30 FFEEMO Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCC[C@H](C3CC3)C2)CCC[N@H+]1C ZINC000329328680 967647447 /nfs/dbraw/zinc/64/74/47/967647447.db2.gz KOMDOQLZLLVFIX-JENIJYKNSA-N 1 1 359.518 2.839 10 30 FFEEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000329654756 967914935 /nfs/dbraw/zinc/91/49/35/967914935.db2.gz MAAXGXBQQOPVQB-NVXWUHKLSA-N 1 1 359.470 2.995 10 30 FFEEMO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000333260085 978088195 /nfs/dbraw/zinc/08/81/95/978088195.db2.gz CIVWJJOMYGYLKW-DOTOQJQBSA-N 1 1 369.465 2.625 10 30 FFEEMO Cc1nc(C)n(C[C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000106181748 250251825 /nfs/dbraw/zinc/25/18/25/250251825.db2.gz MEOHAIWYNREKMA-KSSFIOAISA-N 1 1 366.469 2.506 10 30 FFEEMO CCc1nccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000106217273 250259237 /nfs/dbraw/zinc/25/92/37/250259237.db2.gz RLEKSXGVSYBLQP-MAUKXSAKSA-N 1 1 351.454 2.981 10 30 FFEEMO CCc1nccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000106217273 250259241 /nfs/dbraw/zinc/25/92/41/250259241.db2.gz RLEKSXGVSYBLQP-MAUKXSAKSA-N 1 1 351.454 2.981 10 30 FFEEMO N#Cc1ccc(C[N@@H+]2CCCN(c3cccnn3)CC2)c(Br)c1 ZINC000181090480 251240517 /nfs/dbraw/zinc/24/05/17/251240517.db2.gz WQYZKCPMYMUXPX-UHFFFAOYSA-N 1 1 372.270 2.823 10 30 FFEEMO N#Cc1ccc(C[N@H+]2CCCN(c3cccnn3)CC2)c(Br)c1 ZINC000181090480 251240518 /nfs/dbraw/zinc/24/05/18/251240518.db2.gz WQYZKCPMYMUXPX-UHFFFAOYSA-N 1 1 372.270 2.823 10 30 FFEEMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2[C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000281576368 256644004 /nfs/dbraw/zinc/64/40/04/256644004.db2.gz ZLWVZYYDBCWATK-TWUVWWFLSA-N 1 1 367.493 2.925 10 30 FFEEMO C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccncc1 ZINC000043185236 506716140 /nfs/dbraw/zinc/71/61/40/506716140.db2.gz XIHDYOFRMVSBAC-KRWDZBQOSA-N 1 1 363.465 2.932 10 30 FFEEMO C=CCC[C@H](C[N@@H+](C)Cc1cccnc1)Oc1ncc(F)c(N(C)C)n1 ZINC000072434243 507791198 /nfs/dbraw/zinc/79/11/98/507791198.db2.gz MBQVCAHUQVSGKL-MRXNPFEDSA-N 1 1 359.449 2.922 10 30 FFEEMO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[NH+](C2CC2)CC1 ZINC000108361246 507889233 /nfs/dbraw/zinc/88/92/33/507889233.db2.gz XQSYSRHEYBGCSJ-HNNXBMFYSA-N 1 1 358.511 2.799 10 30 FFEEMO COc1ccc([C@@H]2C[C@@H](C)[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)cc1 ZINC000076390731 508198877 /nfs/dbraw/zinc/19/88/77/508198877.db2.gz AUZUSOYXKHPGPC-SJLPKXTDSA-N 1 1 354.454 2.529 10 30 FFEEMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000083252242 508243661 /nfs/dbraw/zinc/24/36/61/508243661.db2.gz AWTMXUKTBVGDCL-CVEARBPZSA-N 1 1 359.470 2.501 10 30 FFEEMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000083252242 508243662 /nfs/dbraw/zinc/24/36/62/508243662.db2.gz AWTMXUKTBVGDCL-CVEARBPZSA-N 1 1 359.470 2.501 10 30 FFEEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000113270057 508256735 /nfs/dbraw/zinc/25/67/35/508256735.db2.gz HYEAJEKYKRCIGM-LSDHHAIUSA-N 1 1 372.538 2.996 10 30 FFEEMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106172942 508396923 /nfs/dbraw/zinc/39/69/23/508396923.db2.gz ASPWQJUAYMPYTG-SJORKVTESA-N 1 1 373.526 2.655 10 30 FFEEMO Cc1cnn([C@@H]2CCC[N@H+](CC(=O)N(CCC#N)c3ccccc3)C2)c1 ZINC000106224762 508398302 /nfs/dbraw/zinc/39/83/02/508398302.db2.gz CTXFDGOLKIYYDW-LJQANCHMSA-N 1 1 351.454 2.775 10 30 FFEEMO Cc1cnn([C@@H]2CCC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C2)c1 ZINC000106224762 508398303 /nfs/dbraw/zinc/39/83/03/508398303.db2.gz CTXFDGOLKIYYDW-LJQANCHMSA-N 1 1 351.454 2.775 10 30 FFEEMO CCOCC[N@H+]1CCN(c2nc(C(F)(F)F)ccc2C#N)C[C@@H]1CC ZINC000115517111 508405222 /nfs/dbraw/zinc/40/52/22/508405222.db2.gz RUNHVTNHONBYCV-AWEZNQCLSA-N 1 1 356.392 2.909 10 30 FFEEMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116314319 508497883 /nfs/dbraw/zinc/49/78/83/508497883.db2.gz UADBYYYUSACDEP-SJORKVTESA-N 1 1 351.454 2.545 10 30 FFEEMO Cc1cccc(N2CCC(NC(=O)c3ccccc3OCC#N)CC2)[nH+]1 ZINC000116669693 508544657 /nfs/dbraw/zinc/54/46/57/508544657.db2.gz LDMLRVUUTXGDMO-UHFFFAOYSA-N 1 1 350.422 2.691 10 30 FFEEMO C[NH+](C)C[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000119937978 508894118 /nfs/dbraw/zinc/89/41/18/508894118.db2.gz ZVGDDTFWWIBBRY-KRWDZBQOSA-N 1 1 363.870 2.793 10 30 FFEEMO N#Cc1ccc2ncc(C[NH+]3CCC(C(=O)N4CCCCCC4)CC3)n2c1 ZINC000121034526 509115009 /nfs/dbraw/zinc/11/50/09/509115009.db2.gz CWCNZIUGGHAJOY-UHFFFAOYSA-N 1 1 365.481 2.821 10 30 FFEEMO Cc1ccc(N2CCC[N@@H+](CCCOc3cccc(C#N)c3)CC2)nn1 ZINC000156140905 509134046 /nfs/dbraw/zinc/13/40/46/509134046.db2.gz HXPRMJZFETZVAB-UHFFFAOYSA-N 1 1 351.454 2.638 10 30 FFEEMO CCn1cc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)cn1 ZINC000195500313 509193771 /nfs/dbraw/zinc/19/37/71/509193771.db2.gz GCASJFZGZMFFDZ-HNNXBMFYSA-N 1 1 351.454 2.981 10 30 FFEEMO C=C(C)[C@H](NC(=O)N1CC[NH+](C[C@H](O)CC)CC1)c1ccc(F)c(F)c1 ZINC000185848140 509384182 /nfs/dbraw/zinc/38/41/82/509384182.db2.gz PTFPFRQUSKWMAQ-QAPCUYQASA-N 1 1 367.440 2.680 10 30 FFEEMO CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(c2nc(C)ccc2C#N)CC1 ZINC000192240890 509421990 /nfs/dbraw/zinc/42/19/90/509421990.db2.gz ZZXPJBUNTWKXDS-UHFFFAOYSA-N 1 1 358.486 2.894 10 30 FFEEMO Cc1ccc(N2CCC(NS(=O)(=O)c3ccc(C#N)cc3C)CC2)[nH+]c1 ZINC000173210078 509457273 /nfs/dbraw/zinc/45/72/73/509457273.db2.gz PCNWMDANJOTQSO-UHFFFAOYSA-N 1 1 370.478 2.517 10 30 FFEEMO COc1cnccc1[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000187008767 510002579 /nfs/dbraw/zinc/00/25/79/510002579.db2.gz KZMIQERVCDCQBN-KDOFPFPSSA-N 1 1 350.422 2.808 10 30 FFEEMO C[N@H+]1CC[C@H](NC(=O)NCc2ccc(OCC#N)cc2)[C@H]1c1ccccc1 ZINC000245647781 510060530 /nfs/dbraw/zinc/06/05/30/510060530.db2.gz LZGIQBPTIZBTKR-VQTJNVASSA-N 1 1 364.449 2.834 10 30 FFEEMO Cc1ccc(N2CCC[N@H+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)nn1 ZINC000245747296 510124353 /nfs/dbraw/zinc/12/43/53/510124353.db2.gz NBWLLJITSMZCNS-QGZVFWFLSA-N 1 1 351.454 2.788 10 30 FFEEMO Cc1nc(C[C@H]2CCC[N@H+](CC(=O)N(CCC#N)c3ccccc3)C2)no1 ZINC000171408043 510140141 /nfs/dbraw/zinc/14/01/41/510140141.db2.gz BUCZPYVWQUSLKZ-QGZVFWFLSA-N 1 1 367.453 2.579 10 30 FFEEMO Cc1nc(C[C@H]2CCC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C2)no1 ZINC000171408043 510140145 /nfs/dbraw/zinc/14/01/45/510140145.db2.gz BUCZPYVWQUSLKZ-QGZVFWFLSA-N 1 1 367.453 2.579 10 30 FFEEMO C=CCNc1ncc(C(=O)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)s1 ZINC000190712569 510299868 /nfs/dbraw/zinc/29/98/68/510299868.db2.gz LDTKJYWZHIXUTQ-INIZCTEOSA-N 1 1 371.510 2.730 10 30 FFEEMO CC[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CC[N@H+]1C[C@H](C)O ZINC000246126752 510308790 /nfs/dbraw/zinc/30/87/90/510308790.db2.gz DVZHEGKUCDDXKI-MAUKXSAKSA-N 1 1 354.416 2.834 10 30 FFEEMO CCOc1cc(C)nc(N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)n1 ZINC000187683595 510385282 /nfs/dbraw/zinc/38/52/82/510385282.db2.gz JVYPFJIUGWENMH-MRXNPFEDSA-N 1 1 351.454 2.939 10 30 FFEEMO N#Cc1cccc(OCCC[NH+]2CCN(C[C@@H](O)c3ccccc3)CC2)c1 ZINC000178317931 510543659 /nfs/dbraw/zinc/54/36/59/510543659.db2.gz PKYVJWURWRLLTM-JOCHJYFZSA-N 1 1 365.477 2.678 10 30 FFEEMO CN(C)c1noc([C@H]2CCC[N@@H+](Cc3ccc(N(C)CCC#N)cc3)C2)n1 ZINC000194925876 510593183 /nfs/dbraw/zinc/59/31/83/510593183.db2.gz DHLKQGDNQMRKPK-KRWDZBQOSA-N 1 1 368.485 2.865 10 30 FFEEMO CCOCC[N@@H+]1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@@H]1C ZINC000172272037 510640993 /nfs/dbraw/zinc/64/09/93/510640993.db2.gz BSFJZVBTJYAJBX-HNNXBMFYSA-N 1 1 361.490 2.689 10 30 FFEEMO CCOCC[N@H+]1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@@H]1C ZINC000172272037 510640999 /nfs/dbraw/zinc/64/09/99/510640999.db2.gz BSFJZVBTJYAJBX-HNNXBMFYSA-N 1 1 361.490 2.689 10 30 FFEEMO CC(C)c1nnc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1C ZINC000195047166 510646208 /nfs/dbraw/zinc/64/62/08/510646208.db2.gz IUIWDCRILOHWRG-UHFFFAOYSA-N 1 1 352.486 2.518 10 30 FFEEMO N#Cc1ccc(Br)c(C[N@@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000191784192 510829487 /nfs/dbraw/zinc/82/94/87/510829487.db2.gz SCOISTPJRTYGAI-UHFFFAOYSA-N 1 1 372.270 2.823 10 30 FFEEMO N#Cc1ccc(Br)c(C[N@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000191784192 510829490 /nfs/dbraw/zinc/82/94/90/510829490.db2.gz SCOISTPJRTYGAI-UHFFFAOYSA-N 1 1 372.270 2.823 10 30 FFEEMO CNC(=O)[C@H]1C[N@@H+](C[C@H]2CCc3ccccc3C2)C[C@@H]1c1cnn(C)c1 ZINC000329119828 511986622 /nfs/dbraw/zinc/98/66/22/511986622.db2.gz JXXPHCGXKOZQDB-BEVDRBHNSA-N 1 1 352.482 2.827 10 30 FFEEMO Cc1cnn([C@@H]2CCC[N@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)c1 ZINC000329139912 511990833 /nfs/dbraw/zinc/99/08/33/511990833.db2.gz FNZGWRAKTIBQLS-QZTJIDSGSA-N 1 1 354.454 2.789 10 30 FFEEMO Cc1cnn([C@@H]2CCC[N@@H+](CC(=O)NC[C@H]3Cc4ccccc4O3)C2)c1 ZINC000329139912 511990838 /nfs/dbraw/zinc/99/08/38/511990838.db2.gz FNZGWRAKTIBQLS-QZTJIDSGSA-N 1 1 354.454 2.789 10 30 FFEEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)COc1cccc(NC(=O)C2CC2)c1 ZINC000329393340 512038784 /nfs/dbraw/zinc/03/87/84/512038784.db2.gz UQTQXANTWNBEGZ-YOEHRIQHSA-N 1 1 357.454 2.759 10 30 FFEEMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)C1 ZINC000329420779 512043107 /nfs/dbraw/zinc/04/31/07/512043107.db2.gz FHHWAQIXYMWJHG-QKPAOTATSA-N 1 1 350.507 2.708 10 30 FFEEMO CCC(CC)[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)CCO1 ZINC000329622263 512078335 /nfs/dbraw/zinc/07/83/35/512078335.db2.gz RTDRWVAMJFMTOD-OWYHZJEWSA-N 1 1 367.534 2.679 10 30 FFEEMO C[N@@H+]1CCN(C(=O)NCc2cn3c(n2)CCCC3)[C@H](c2ccccc2)C1 ZINC000328792630 963877556 /nfs/dbraw/zinc/87/75/56/963877556.db2.gz RLGAJIZFYRLOCK-SFHVURJKSA-N 1 1 353.470 2.622 10 30 FFEEMO C[N@H+]1CCN(C(=O)NCc2cn3c(n2)CCCC3)[C@H](c2ccccc2)C1 ZINC000328792630 963877563 /nfs/dbraw/zinc/87/75/63/963877563.db2.gz RLGAJIZFYRLOCK-SFHVURJKSA-N 1 1 353.470 2.622 10 30 FFEEMO Cc1cc(C)n(-c2ccc(CCNC(=O)N3CC[N@H+]4CCC[C@@H]4C3)cc2)n1 ZINC000329476639 967740623 /nfs/dbraw/zinc/74/06/23/967740623.db2.gz POBHGEFNEAKQBB-HXUWFJFHSA-N 1 1 367.497 2.726 10 30 FFEEMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1)NCc1cnn(-c2ccccc2)c1 ZINC000330135426 970458145 /nfs/dbraw/zinc/45/81/45/970458145.db2.gz MUCGURZXSDQRNP-GHTZIAJQSA-N 1 1 368.481 2.956 10 30 FFEEMO Cc1cc(C)c2ncc(C#N)c(N3C[C@@H](C)[C@H]([NH+]4CCOCC4)C3)c2c1 ZINC000301535102 258054115 /nfs/dbraw/zinc/05/41/15/258054115.db2.gz AGMDYODLVQOPDE-VQIMIIECSA-N 1 1 350.466 2.880 10 30 FFEEMO C[C@H](CNC(=O)[C@H](C)Oc1ccccc1C#N)[N@@H+](C)Cc1ccccc1 ZINC000110347988 508022343 /nfs/dbraw/zinc/02/23/43/508022343.db2.gz NVUVYQRDHIFEGX-SJORKVTESA-N 1 1 351.450 2.962 10 30 FFEEMO Cc1cccc(N2CCC(NC(=O)[C@H](C)Oc3ccccc3C#N)CC2)[nH+]1 ZINC000116671074 508544436 /nfs/dbraw/zinc/54/44/36/508544436.db2.gz RPGSUNFSVYOXKR-INIZCTEOSA-N 1 1 364.449 2.814 10 30 FFEEMO CC[C@@H]1CN(C(=O)Nc2cc(C#N)ccc2OC(C)C)CC[N@H+]1CCOC ZINC000117448809 508599658 /nfs/dbraw/zinc/59/96/58/508599658.db2.gz RBDREDXWELXKTE-QGZVFWFLSA-N 1 1 374.485 2.920 10 30 FFEEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000158976942 508776003 /nfs/dbraw/zinc/77/60/03/508776003.db2.gz RHKTXINTBHBGGG-MJGOQNOKSA-N 1 1 370.497 2.558 10 30 FFEEMO Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000119462074 508800762 /nfs/dbraw/zinc/80/07/62/508800762.db2.gz WRHAZSGIZXVLKS-GOSISDBHSA-N 1 1 359.518 2.583 10 30 FFEEMO C=C[C@H](CC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000130700678 508833715 /nfs/dbraw/zinc/83/37/15/508833715.db2.gz OVLLKRBNHPGMEL-LJQANCHMSA-N 1 1 352.482 2.814 10 30 FFEEMO C=C[C@H](CC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000130700678 508833718 /nfs/dbraw/zinc/83/37/18/508833718.db2.gz OVLLKRBNHPGMEL-LJQANCHMSA-N 1 1 352.482 2.814 10 30 FFEEMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)cc1 ZINC000249036368 509578077 /nfs/dbraw/zinc/57/80/77/509578077.db2.gz STGXEUQJPWPFIE-GOEBONIOSA-N 1 1 355.442 2.806 10 30 FFEEMO C=CCCO[C@@H](C)C(=O)N1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000251714003 509817679 /nfs/dbraw/zinc/81/76/79/509817679.db2.gz KRVITEUYVSTOQZ-JKSUJKDBSA-N 1 1 351.516 2.713 10 30 FFEEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccccc1OCC#N ZINC000252444687 509837547 /nfs/dbraw/zinc/83/75/47/509837547.db2.gz ZQSGIHVWSIKRPQ-VQIMIIECSA-N 1 1 364.449 2.624 10 30 FFEEMO C=CCCO[C@H](C)C(=O)N1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000190555401 510203610 /nfs/dbraw/zinc/20/36/10/510203610.db2.gz KRVITEUYVSTOQZ-HZPDHXFCSA-N 1 1 351.516 2.713 10 30 FFEEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccccc2OCC#N)C1 ZINC000190641327 510255467 /nfs/dbraw/zinc/25/54/67/510255467.db2.gz DEGDJKMRUJXSPU-GOSISDBHSA-N 1 1 364.449 2.578 10 30 FFEEMO C=C(C)COc1cccc(NC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1 ZINC000177827895 510275387 /nfs/dbraw/zinc/27/53/87/510275387.db2.gz DOEXNOYNDMIXRI-LPHOPBHVSA-N 1 1 359.470 2.826 10 30 FFEEMO N#Cc1ccc(OCCC[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000246345373 510437653 /nfs/dbraw/zinc/43/76/53/510437653.db2.gz VIYQHYWQGFARRH-FXAWDEMLSA-N 1 1 353.466 2.802 10 30 FFEEMO CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000194664161 510471501 /nfs/dbraw/zinc/47/15/01/510471501.db2.gz DNUMOGXJZPWXOP-MRXNPFEDSA-N 1 1 353.422 2.944 10 30 FFEEMO N#Cc1c2c(sc1NC(=O)CCN1CCC[N@H+](C3CC3)CC1)CCC2 ZINC000172347053 510683462 /nfs/dbraw/zinc/68/34/62/510683462.db2.gz IAVQNCAZLIHNLX-UHFFFAOYSA-N 1 1 358.511 2.607 10 30 FFEEMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCCN(C3CC3)CC1)CCC2 ZINC000172347053 510683476 /nfs/dbraw/zinc/68/34/76/510683476.db2.gz IAVQNCAZLIHNLX-UHFFFAOYSA-N 1 1 358.511 2.607 10 30 FFEEMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCCN(C3CC3)CC1)CCC2 ZINC000172347053 510683484 /nfs/dbraw/zinc/68/34/84/510683484.db2.gz IAVQNCAZLIHNLX-UHFFFAOYSA-N 1 1 358.511 2.607 10 30 FFEEMO C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195290774 510763392 /nfs/dbraw/zinc/76/33/92/510763392.db2.gz XDYQLUAVGFYNPA-AZUAARDMSA-N 1 1 358.530 2.648 10 30 FFEEMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195290774 510763398 /nfs/dbraw/zinc/76/33/98/510763398.db2.gz XDYQLUAVGFYNPA-AZUAARDMSA-N 1 1 358.530 2.648 10 30 FFEEMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195290774 510763403 /nfs/dbraw/zinc/76/34/03/510763403.db2.gz XDYQLUAVGFYNPA-AZUAARDMSA-N 1 1 358.530 2.648 10 30 FFEEMO Cc1csc([C@H]2CCC[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)n1 ZINC000195327647 510786914 /nfs/dbraw/zinc/78/69/14/510786914.db2.gz DOXMXBXGGOPEOI-IRXDYDNUSA-N 1 1 357.479 2.943 10 30 FFEEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 ZINC000247404777 510859854 /nfs/dbraw/zinc/85/98/54/510859854.db2.gz RHKTXINTBHBGGG-PKOBYXMFSA-N 1 1 370.497 2.558 10 30 FFEEMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000333464141 511252586 /nfs/dbraw/zinc/25/25/86/511252586.db2.gz QGPOBJYOHHYLNY-FYQPLNBISA-N 1 1 372.513 2.697 10 30 FFEEMO Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000310961583 511775097 /nfs/dbraw/zinc/77/50/97/511775097.db2.gz BTEDFQOVEBEIHP-INIZCTEOSA-N 1 1 357.479 2.666 10 30 FFEEMO C[C@H](c1ccc(NC(=O)N[C@@H]2CCO[C@@H]2C2CC2)cc1)[NH+]1CCOCC1 ZINC000328814331 511935484 /nfs/dbraw/zinc/93/54/84/511935484.db2.gz BZQKZVGUKMVULQ-NIKGAXFTSA-N 1 1 359.470 2.973 10 30 FFEEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000329093034 511981721 /nfs/dbraw/zinc/98/17/21/511981721.db2.gz KCMKGAMLWCESOX-GOEBONIOSA-N 1 1 363.531 2.843 10 30 FFEEMO Cc1cc(C)c(C#N)c(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cncn2C)n1 ZINC000585790124 518600081 /nfs/dbraw/zinc/60/00/81/518600081.db2.gz LLCBCGUXXGWRMA-QFBILLFUSA-N 1 1 352.486 2.823 10 30 FFEEMO CN(Cc1cc(F)ccc1C#N)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cncn1C ZINC000583620195 519344442 /nfs/dbraw/zinc/34/44/42/519344442.db2.gz UICUCWMZDKJHBZ-OXJNMPFZSA-N 1 1 355.461 2.946 10 30 FFEEMO Cn1cncc1[C@H]1[C@H](C[N@H+](C)Cc2cc(F)ccc2C#N)CCCN1C ZINC000583620195 519344450 /nfs/dbraw/zinc/34/44/50/519344450.db2.gz UICUCWMZDKJHBZ-OXJNMPFZSA-N 1 1 355.461 2.946 10 30 FFEEMO Cn1cncc1[C@H]1[C@H](C[N@@H+](C)Cc2cc(F)ccc2C#N)CCCN1C ZINC000583620195 519344459 /nfs/dbraw/zinc/34/44/59/519344459.db2.gz UICUCWMZDKJHBZ-OXJNMPFZSA-N 1 1 355.461 2.946 10 30 FFEEMO Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000329173243 967536761 /nfs/dbraw/zinc/53/67/61/967536761.db2.gz LKWTZEUYGIAERK-GOSISDBHSA-N 1 1 367.497 2.868 10 30 FFEEMO C[C@@H](NC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cncc(F)c1 ZINC000329307937 967636890 /nfs/dbraw/zinc/63/68/90/967636890.db2.gz PXAUZMPLKRKCNE-FSZRXZPDSA-N 1 1 364.465 2.769 10 30 FFEEMO C[C@@H](NC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cncc(F)c1 ZINC000329307937 967636894 /nfs/dbraw/zinc/63/68/94/967636894.db2.gz PXAUZMPLKRKCNE-FSZRXZPDSA-N 1 1 364.465 2.769 10 30 FFEEMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)n1 ZINC000106182087 250251714 /nfs/dbraw/zinc/25/17/14/250251714.db2.gz RSISTZCGBMNLEE-GOSISDBHSA-N 1 1 366.469 2.507 10 30 FFEEMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cccc(SCC#N)c2)CC1 ZINC000079542375 507972778 /nfs/dbraw/zinc/97/27/78/507972778.db2.gz QUCFNNAJFLVIGZ-SFHVURJKSA-N 1 1 372.538 2.544 10 30 FFEEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000113267626 508255600 /nfs/dbraw/zinc/25/56/00/508255600.db2.gz YSBFFIIDPFDHEW-LSDHHAIUSA-N 1 1 372.538 2.996 10 30 FFEEMO C[N@H+](CCc1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000102936912 508290139 /nfs/dbraw/zinc/29/01/39/508290139.db2.gz TVHIOHGDYZSDFU-GOSISDBHSA-N 1 1 351.381 2.504 10 30 FFEEMO C[N@@H+](CCc1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000102936912 508290140 /nfs/dbraw/zinc/29/01/40/508290140.db2.gz TVHIOHGDYZSDFU-GOSISDBHSA-N 1 1 351.381 2.504 10 30 FFEEMO Cn1cc([C@@H]2CC[N@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)cn1 ZINC000116408229 508508239 /nfs/dbraw/zinc/50/82/39/508508239.db2.gz AJMPGGVDWSANMM-OAHLLOKOSA-N 1 1 371.872 2.810 10 30 FFEEMO Cn1cc([C@@H]2CC[N@@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)cn1 ZINC000116408229 508508240 /nfs/dbraw/zinc/50/82/40/508508240.db2.gz AJMPGGVDWSANMM-OAHLLOKOSA-N 1 1 371.872 2.810 10 30 FFEEMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000157746152 508606056 /nfs/dbraw/zinc/60/60/56/508606056.db2.gz OOFUWJOHRPIAIT-MRXNPFEDSA-N 1 1 356.426 2.592 10 30 FFEEMO COc1ccc(C#N)cc1C[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000159956465 508917742 /nfs/dbraw/zinc/91/77/42/508917742.db2.gz VHRUQGFRBQGWRY-UHFFFAOYSA-N 1 1 367.453 2.535 10 30 FFEEMO COc1ccc(C#N)cc1C[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000159956465 508917746 /nfs/dbraw/zinc/91/77/46/508917746.db2.gz VHRUQGFRBQGWRY-UHFFFAOYSA-N 1 1 367.453 2.535 10 30 FFEEMO N#Cc1c2c(sc1NC(=O)CCN1CC[N@H+]3CCCC[C@H]3C1)CCC2 ZINC000172802976 509245226 /nfs/dbraw/zinc/24/52/26/509245226.db2.gz CPNSBYNACMNHKD-AWEZNQCLSA-N 1 1 358.511 2.607 10 30 FFEEMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCN3CCCC[C@H]3C1)CCC2 ZINC000172802976 509245231 /nfs/dbraw/zinc/24/52/31/509245231.db2.gz CPNSBYNACMNHKD-AWEZNQCLSA-N 1 1 358.511 2.607 10 30 FFEEMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCN3CCCC[C@H]3C1)CCC2 ZINC000172802976 509245237 /nfs/dbraw/zinc/24/52/37/509245237.db2.gz CPNSBYNACMNHKD-AWEZNQCLSA-N 1 1 358.511 2.607 10 30 FFEEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cccc(F)c1C#N ZINC000189637730 509676285 /nfs/dbraw/zinc/67/62/85/509676285.db2.gz UXZJEKOHUBRTPS-KUHUBIRLSA-N 1 1 352.413 2.733 10 30 FFEEMO C=CC[C@@H](C(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000186499398 509741473 /nfs/dbraw/zinc/74/14/73/509741473.db2.gz SKXPJWNJXDXAJT-FCHUYYIVSA-N 1 1 364.489 2.882 10 30 FFEEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000190449683 510138284 /nfs/dbraw/zinc/13/82/84/510138284.db2.gz VTHICKUGZSRKPL-KRWDZBQOSA-N 1 1 351.410 2.820 10 30 FFEEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(c2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000190449457 510138465 /nfs/dbraw/zinc/13/84/65/510138465.db2.gz VBLLNFXEBVWPSO-KRWDZBQOSA-N 1 1 351.410 2.820 10 30 FFEEMO CCc1nccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000171524864 510206650 /nfs/dbraw/zinc/20/66/50/510206650.db2.gz ZXNAKBPEUQGEJB-GOSISDBHSA-N 1 1 351.454 2.983 10 30 FFEEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)c2cccc(F)c2C#N)C1 ZINC000190583837 510222698 /nfs/dbraw/zinc/22/26/98/510222698.db2.gz LPLDRZMLZCEPRB-MRXNPFEDSA-N 1 1 352.413 2.686 10 30 FFEEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C#N)ccc1OCCOC ZINC000184609335 510415304 /nfs/dbraw/zinc/41/53/04/510415304.db2.gz ABFNSOFOIDQQSF-DLBZAZTESA-N 1 1 372.469 2.674 10 30 FFEEMO C[NH+]1CCN([C@H]2CCCCN(C(=O)c3cccc(SCC#N)c3)C2)CC1 ZINC000175256385 510555281 /nfs/dbraw/zinc/55/52/81/510555281.db2.gz CRRWFFGKHIQAPG-SFHVURJKSA-N 1 1 372.538 2.544 10 30 FFEEMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[N@H+](C2CC2)CC1 ZINC000172541009 510781931 /nfs/dbraw/zinc/78/19/31/510781931.db2.gz QCXAIORSIZJPGF-INIZCTEOSA-N 1 1 358.461 2.631 10 30 FFEEMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000247609428 510867346 /nfs/dbraw/zinc/86/73/46/510867346.db2.gz MEOHAIWYNREKMA-RDTXWAMCSA-N 1 1 366.469 2.506 10 30 FFEEMO O=C(C[C@@H]1CCCCC(=O)N1)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000328666903 511913024 /nfs/dbraw/zinc/91/30/24/511913024.db2.gz KNSGLWDWROFAQX-ZWKOTPCHSA-N 1 1 359.470 2.999 10 30 FFEEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000329093037 511982317 /nfs/dbraw/zinc/98/23/17/511982317.db2.gz KCMKGAMLWCESOX-HOCLYGCPSA-N 1 1 363.531 2.843 10 30 FFEEMO O=C(C[N@H+]1CCC[C@H](Cn2cncn2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000329190622 512001527 /nfs/dbraw/zinc/00/15/27/512001527.db2.gz RXVPQXOMJMSBBT-CCLIWJKGSA-N 1 1 357.502 2.915 10 30 FFEEMO Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCC[C@@H]3CCC[C@@H]32)CCC[N@H+]1C ZINC000329444191 512047441 /nfs/dbraw/zinc/04/74/41/512047441.db2.gz KOTCFRRHJWYTLM-LSTDLKDCSA-N 1 1 359.518 2.982 10 30 FFEEMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000374177148 512694898 /nfs/dbraw/zinc/69/48/98/512694898.db2.gz VDRBVBAQRYYZRQ-SPOLIRPYSA-N 1 1 361.530 2.979 10 30 FFEEMO COC(=O)c1ccc(COc2ccc(/C=N/N3CC[NH+](C)CC3)cc2)cc1 ZINC000005162770 522046613 /nfs/dbraw/zinc/04/66/13/522046613.db2.gz YTAAOBRRHZTZRG-PXLXIMEGSA-N 1 1 367.449 2.634 10 30 FFEEMO Cc1cncc(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000328618915 526207672 /nfs/dbraw/zinc/20/76/72/526207672.db2.gz FESZJIDGZQLUBT-MAUKXSAKSA-N 1 1 356.474 2.684 10 30 FFEEMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N[C@@H]1CCCNC1=O ZINC000328759657 729795186 /nfs/dbraw/zinc/79/51/86/729795186.db2.gz WYLIYCVZYOZZFA-DZGCQCFKSA-N 1 1 350.488 2.583 10 30 FFEEMO Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CCS(=O)(=O)c3ccccc31)C2 ZINC000329782034 729798947 /nfs/dbraw/zinc/79/89/47/729798947.db2.gz NPZHSCAVAKBQSU-XJKSGUPXSA-N 1 1 359.451 2.629 10 30 FFEEMO Cc1ccc([C@H](C)NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1C ZINC000330115456 970403654 /nfs/dbraw/zinc/40/36/54/970403654.db2.gz FQBGVYWCCFKVBQ-PKOBYXMFSA-N 1 1 372.513 2.517 10 30 FFEEMO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000333260098 978087934 /nfs/dbraw/zinc/08/79/34/978087934.db2.gz CIVWJJOMYGYLKW-WBVHZDCISA-N 1 1 369.465 2.625 10 30 FFEEMO COc1cccc2c1CC[N@@H+]([C@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000193724102 999980467 /nfs/dbraw/zinc/98/04/67/999980467.db2.gz QGFSPIPKMKESMG-KRWDZBQOSA-N 1 1 367.474 2.834 10 30 FFEEMO COc1cccc2c1CC[N@H+]([C@H]1CCN(c3sccc3C#N)C1=O)CC2 ZINC000193724102 999980469 /nfs/dbraw/zinc/98/04/69/999980469.db2.gz QGFSPIPKMKESMG-KRWDZBQOSA-N 1 1 367.474 2.834 10 30 FFEEMO Cc1nn(C)c(Cl)c1C=CC(=O)ONC(=[NH2+])c1ccc(Cl)cc1 ZINC000004284820 506369556 /nfs/dbraw/zinc/36/95/56/506369556.db2.gz KVCAGFZDISRVLS-BQYQJAHWSA-N 1 1 353.209 2.912 10 30 FFEEMO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)CCCCC1 ZINC000076075511 508156178 /nfs/dbraw/zinc/15/61/78/508156178.db2.gz MLHVRUAKMBEKRO-RBUKOAKNSA-N 1 1 355.482 2.917 10 30 FFEEMO CC(C)(C)n1cc(CN2CC[NH+](CCOc3ccc(C#N)cc3)CC2)cn1 ZINC000106145702 508396537 /nfs/dbraw/zinc/39/65/37/508396537.db2.gz ICNGAPQFAYZHPB-UHFFFAOYSA-N 1 1 367.497 2.706 10 30 FFEEMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106175183 508396748 /nfs/dbraw/zinc/39/67/48/508396748.db2.gz HBRFLZOWGKUMJY-INIZCTEOSA-N 1 1 371.510 2.907 10 30 FFEEMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106175183 508396749 /nfs/dbraw/zinc/39/67/49/508396749.db2.gz HBRFLZOWGKUMJY-INIZCTEOSA-N 1 1 371.510 2.907 10 30 FFEEMO COCC[N@@H+]1CCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C[C@@H]1C ZINC000157695025 508598975 /nfs/dbraw/zinc/59/89/75/508598975.db2.gz BDTVNVYZKNATSI-HNNXBMFYSA-N 1 1 360.458 2.530 10 30 FFEEMO COCC[N@H+]1CCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C[C@@H]1C ZINC000157695025 508598979 /nfs/dbraw/zinc/59/89/79/508598979.db2.gz BDTVNVYZKNATSI-HNNXBMFYSA-N 1 1 360.458 2.530 10 30 FFEEMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000120196850 508948261 /nfs/dbraw/zinc/94/82/61/508948261.db2.gz BXJUQEPJNGJBEJ-FUHWJXTLSA-N 1 1 351.454 2.868 10 30 FFEEMO CN(CCC#N)c1ccc(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000120234378 508956261 /nfs/dbraw/zinc/95/62/61/508956261.db2.gz YUAGZNXFANONGU-HXUWFJFHSA-N 1 1 364.497 2.927 10 30 FFEEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000132401284 509026489 /nfs/dbraw/zinc/02/64/89/509026489.db2.gz LVTJIEAKUXJCJM-UZLBHIALSA-N 1 1 370.497 2.840 10 30 FFEEMO N#Cc1ccccc1NC(=O)CC[N@@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121564425 509178585 /nfs/dbraw/zinc/17/85/85/509178585.db2.gz NGIBGEQAOMMNMM-HNAYVOBHSA-N 1 1 371.387 2.973 10 30 FFEEMO N#Cc1ccccc1NC(=O)CC[N@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121564425 509178586 /nfs/dbraw/zinc/17/85/86/509178586.db2.gz NGIBGEQAOMMNMM-HNAYVOBHSA-N 1 1 371.387 2.973 10 30 FFEEMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)cc1F ZINC000192005653 509289865 /nfs/dbraw/zinc/28/98/65/509289865.db2.gz SXSDLZVYMQUJQG-UHFFFAOYSA-N 1 1 355.417 2.666 10 30 FFEEMO N#Cc1ccc(C[N@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)cc1F ZINC000192005653 509289871 /nfs/dbraw/zinc/28/98/71/509289871.db2.gz SXSDLZVYMQUJQG-UHFFFAOYSA-N 1 1 355.417 2.666 10 30 FFEEMO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)o1 ZINC000182576423 509312054 /nfs/dbraw/zinc/31/20/54/509312054.db2.gz ZGZACWGYZZUJTK-JKSUJKDBSA-N 1 1 372.494 2.709 10 30 FFEEMO Cc1cc(N2CC[NH+](Cc3cccn3Cc3ccccc3C#N)CC2)n[nH]1 ZINC000189016774 509371488 /nfs/dbraw/zinc/37/14/88/509371488.db2.gz WCEHIUIXGTWZCP-UHFFFAOYSA-N 1 1 360.465 2.762 10 30 FFEEMO CC(C)[N@@H+]1C[C@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)[C@@H](C)C1 ZINC000176846489 509721662 /nfs/dbraw/zinc/72/16/62/509721662.db2.gz PLAMMOSRMJTSGB-HKUYNNGSSA-N 1 1 369.513 2.509 10 30 FFEEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000245425917 509924971 /nfs/dbraw/zinc/92/49/71/509924971.db2.gz KXVXJXGXADMONH-CABCVRRESA-N 1 1 372.538 2.996 10 30 FFEEMO CC[C@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)CC[N@H+]1C[C@H](C)O ZINC000246072173 510277073 /nfs/dbraw/zinc/27/70/73/510277073.db2.gz FBXJHSZLEJZNMH-WFASDCNBSA-N 1 1 360.408 2.666 10 30 FFEEMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccccc2-c2ccccc2C#N)C[C@H]1C ZINC000246761242 510660207 /nfs/dbraw/zinc/66/02/07/510660207.db2.gz OQWXDHGKNXQVDG-SJORKVTESA-N 1 1 363.461 2.752 10 30 FFEEMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccccc2-c2ccccc2C#N)C[C@H]1C ZINC000246761242 510660211 /nfs/dbraw/zinc/66/02/11/510660211.db2.gz OQWXDHGKNXQVDG-SJORKVTESA-N 1 1 363.461 2.752 10 30 FFEEMO CCOCC[N@@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OCC)C[C@@H]1C ZINC000172314639 510662379 /nfs/dbraw/zinc/66/23/79/510662379.db2.gz VZFMCFHFSZCECO-HNNXBMFYSA-N 1 1 360.458 2.531 10 30 FFEEMO CCOCC[N@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OCC)C[C@@H]1C ZINC000172314639 510662382 /nfs/dbraw/zinc/66/23/82/510662382.db2.gz VZFMCFHFSZCECO-HNNXBMFYSA-N 1 1 360.458 2.531 10 30 FFEEMO N#Cc1ccsc1N1CC[C@H](N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000247065332 510824516 /nfs/dbraw/zinc/82/45/16/510824516.db2.gz ZZOUEGQNZIQMIH-JQHSSLGASA-N 1 1 370.522 2.674 10 30 FFEEMO C[N@H+](CC(=O)Nc1nncs1)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328634978 511901351 /nfs/dbraw/zinc/90/13/51/511901351.db2.gz NAAOZTMWJMEPFQ-SECBINFHSA-N 1 1 374.392 2.536 10 30 FFEEMO C[C@@H]1C[C@H](CNC(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000329133783 511989834 /nfs/dbraw/zinc/98/98/34/511989834.db2.gz ZEXKAVPQTQMDQU-VXIBKDFQSA-N 1 1 367.534 2.537 10 30 FFEEMO C[C@H](CCNC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)[N@@H+](C)Cc1ccccc1 ZINC000329310167 512025394 /nfs/dbraw/zinc/02/53/94/512025394.db2.gz CEICLWVIVIQOKN-KBAYOESNSA-N 1 1 358.486 2.862 10 30 FFEEMO Cc1csc([C@@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)C2CC2)n1 ZINC000329673955 512085141 /nfs/dbraw/zinc/08/51/41/512085141.db2.gz TUMYWAYIDWZEQO-BMFZPTHFSA-N 1 1 364.515 2.612 10 30 FFEEMO CCCCCCCC(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000109646334 728528292 /nfs/dbraw/zinc/52/82/92/728528292.db2.gz GUAHBVVTCYZVRQ-IBGZPJMESA-N 1 1 353.551 2.600 10 30 FFEEMO CC(C)c1nc([C@@H]2CCCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)C2)no1 ZINC000328888951 965015432 /nfs/dbraw/zinc/01/54/32/965015432.db2.gz QNNPGDYSIBFXDU-BZUAXINKSA-N 1 1 361.490 2.913 10 30 FFEEMO N#Cc1ccccc1OC1CCC(NC(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000329247615 967577676 /nfs/dbraw/zinc/57/76/76/967577676.db2.gz RZMRLGXWTXQCQD-UHFFFAOYSA-N 1 1 368.481 2.942 10 30 FFEEMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000252652243 251310587 /nfs/dbraw/zinc/31/05/87/251310587.db2.gz IXMWSVBJCSCRAA-YQVWRLOYSA-N 1 1 372.490 2.948 10 30 FFEEMO Cc1c(C(=O)Nc2cccc(C)c2C)oc2c1C(=NNC(N)=[NH2+])CCC2 ZINC000040824750 208271439 /nfs/dbraw/zinc/27/14/39/208271439.db2.gz OCWYFXKNQXPZAB-OEAKJJBVSA-N 1 1 353.426 2.981 10 30 FFEEMO C#Cc1cccc(NC(=O)N2CCC[N@@H+](Cc3cnn(CC)c3)CC2)c1 ZINC000112734678 508217196 /nfs/dbraw/zinc/21/71/96/508217196.db2.gz UMDXXMMDUYXEPM-UHFFFAOYSA-N 1 1 351.454 2.624 10 30 FFEEMO C#Cc1cccc(NC(=O)N2CCC[N@H+](Cc3cnn(CC)c3)CC2)c1 ZINC000112734678 508217198 /nfs/dbraw/zinc/21/71/98/508217198.db2.gz UMDXXMMDUYXEPM-UHFFFAOYSA-N 1 1 351.454 2.624 10 30 FFEEMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116314110 508497950 /nfs/dbraw/zinc/49/79/50/508497950.db2.gz UDECUHOIIXQMJB-RXCRORICSA-N 1 1 357.502 2.529 10 30 FFEEMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c1C ZINC000116311967 508498390 /nfs/dbraw/zinc/49/83/90/508498390.db2.gz RSILEGIZWMMIKK-SFHVURJKSA-N 1 1 365.481 2.773 10 30 FFEEMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1C ZINC000116311967 508498391 /nfs/dbraw/zinc/49/83/91/508498391.db2.gz RSILEGIZWMMIKK-SFHVURJKSA-N 1 1 365.481 2.773 10 30 FFEEMO CCc1[nH+]ccn1[C@H]1CCCN(S(=O)(=O)c2cccc(C)c2C#N)C1 ZINC000157731444 508603548 /nfs/dbraw/zinc/60/35/48/508603548.db2.gz GABJQOIIFPTWBW-HNNXBMFYSA-N 1 1 358.467 2.651 10 30 FFEEMO CC(C)[N@@H+]1C[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)[C@@H](C)C1 ZINC000132401500 509026288 /nfs/dbraw/zinc/02/62/88/509026288.db2.gz LVTJIEAKUXJCJM-JXFKEZNVSA-N 1 1 370.497 2.840 10 30 FFEEMO COc1cc(/C=C/C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1OCC#N ZINC000247963794 509202409 /nfs/dbraw/zinc/20/24/09/509202409.db2.gz GNRCDNYRZYTDEK-JFDVKVQISA-N 1 1 369.465 2.553 10 30 FFEEMO Cc1ccc(N(CCC#N)C(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C ZINC000248199160 509259223 /nfs/dbraw/zinc/25/92/23/509259223.db2.gz YBRNIJYILWHHLF-PZJWPPBQSA-N 1 1 368.525 2.966 10 30 FFEEMO Cc1nc(C[C@H]2CCC[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)no1 ZINC000173645405 509694843 /nfs/dbraw/zinc/69/48/43/509694843.db2.gz DTFSQOKHRNMFOB-OAHLLOKOSA-N 1 1 364.409 2.754 10 30 FFEEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)no1 ZINC000173645405 509694844 /nfs/dbraw/zinc/69/48/44/509694844.db2.gz DTFSQOKHRNMFOB-OAHLLOKOSA-N 1 1 364.409 2.754 10 30 FFEEMO Cc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000173743108 509750007 /nfs/dbraw/zinc/75/00/07/509750007.db2.gz KWOWIBWOYAUWEA-CQSZACIVSA-N 1 1 364.858 2.570 10 30 FFEEMO CC[N@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000245456746 509946295 /nfs/dbraw/zinc/94/62/95/509946295.db2.gz BPBILPZIVRYZAI-MSOLQXFVSA-N 1 1 372.513 2.746 10 30 FFEEMO CC[N@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000177710820 510212217 /nfs/dbraw/zinc/21/22/17/510212217.db2.gz BPBILPZIVRYZAI-ZWKOTPCHSA-N 1 1 372.513 2.746 10 30 FFEEMO CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000177796057 510257564 /nfs/dbraw/zinc/25/75/64/510257564.db2.gz GIURMDKQUSAWEU-CRAIPNDOSA-N 1 1 372.469 2.530 10 30 FFEEMO CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(c2nnc(C)c(C)c2C#N)CC1 ZINC000171653727 510283554 /nfs/dbraw/zinc/28/35/54/510283554.db2.gz UEKKYYYNRWWZNY-UHFFFAOYSA-N 1 1 373.501 2.598 10 30 FFEEMO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@@H](c4nccs4)C3)C2=O)cc1 ZINC000246160390 510328685 /nfs/dbraw/zinc/32/86/85/510328685.db2.gz QVWWTOJULDETMW-WBVHZDCISA-N 1 1 352.463 3.000 10 30 FFEEMO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@@H](c4nccs4)C3)C2=O)cc1 ZINC000246160390 510328690 /nfs/dbraw/zinc/32/86/90/510328690.db2.gz QVWWTOJULDETMW-WBVHZDCISA-N 1 1 352.463 3.000 10 30 FFEEMO Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000178292706 510531793 /nfs/dbraw/zinc/53/17/93/510531793.db2.gz IVVRWWDCKMVMNJ-IBGZPJMESA-N 1 1 351.454 2.603 10 30 FFEEMO CN(C(=O)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1)C1(C#N)CCCCC1 ZINC000246693602 510621439 /nfs/dbraw/zinc/62/14/39/510621439.db2.gz RLXZOWIHMNWEQF-DLBZAZTESA-N 1 1 359.470 2.852 10 30 FFEEMO CN(C(=O)C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1)C1(C#N)CCCCC1 ZINC000246693602 510621446 /nfs/dbraw/zinc/62/14/46/510621446.db2.gz RLXZOWIHMNWEQF-DLBZAZTESA-N 1 1 359.470 2.852 10 30 FFEEMO C[C@@H]1C[N@H+](C2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)CCO1 ZINC000246818980 510690942 /nfs/dbraw/zinc/69/09/42/510690942.db2.gz NQLDIMLISFVDKR-YLJYHZDGSA-N 1 1 370.497 2.926 10 30 FFEEMO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000247114021 510837578 /nfs/dbraw/zinc/83/75/78/510837578.db2.gz KSUOGORPYXHWLQ-HOTGVXAUSA-N 1 1 358.511 2.799 10 30 FFEEMO CCN1CCC[C@@H](C[N@@H+](C)Cc2cc(C#N)n(C)c2)[C@@H]1c1cnn(C)c1 ZINC000364589957 510958305 /nfs/dbraw/zinc/95/83/05/510958305.db2.gz OKFIWZZSJRSXAL-FXAWDEMLSA-N 1 1 354.502 2.535 10 30 FFEEMO CC[N@@H+]1CCC[C@@H](CN(C)Cc2cc(C#N)n(C)c2)[C@@H]1c1cnn(C)c1 ZINC000364589957 510958310 /nfs/dbraw/zinc/95/83/10/510958310.db2.gz OKFIWZZSJRSXAL-FXAWDEMLSA-N 1 1 354.502 2.535 10 30 FFEEMO CC[N@H+]1CCC[C@@H](CN(C)Cc2cc(C#N)n(C)c2)[C@@H]1c1cnn(C)c1 ZINC000364589957 510958317 /nfs/dbraw/zinc/95/83/17/510958317.db2.gz OKFIWZZSJRSXAL-FXAWDEMLSA-N 1 1 354.502 2.535 10 30 FFEEMO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000333464142 511253123 /nfs/dbraw/zinc/25/31/23/511253123.db2.gz QGPOBJYOHHYLNY-LWYYNNOASA-N 1 1 372.513 2.697 10 30 FFEEMO O=C(C[C@@H]1CCCCC(=O)N1)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000328666902 511912900 /nfs/dbraw/zinc/91/29/00/511912900.db2.gz KNSGLWDWROFAQX-ROUUACIJSA-N 1 1 359.470 2.999 10 30 FFEEMO O=C(Nc1ccnc(Sc2ccccn2)c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000329488736 512057066 /nfs/dbraw/zinc/05/70/66/512057066.db2.gz HFCUMZBAZRLMOB-OAHLLOKOSA-N 1 1 355.467 2.953 10 30 FFEEMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)N2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)O1 ZINC000329781707 512097163 /nfs/dbraw/zinc/09/71/63/512097163.db2.gz TUAGPYBWNVKZJV-NFQUHZNNSA-N 1 1 373.497 2.573 10 30 FFEEMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)N2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)O1 ZINC000329781707 512097165 /nfs/dbraw/zinc/09/71/65/512097165.db2.gz TUAGPYBWNVKZJV-NFQUHZNNSA-N 1 1 373.497 2.573 10 30 FFEEMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)NCc2ccco2)[C@@H]1c1cnn(C)c1 ZINC000328635108 521615272 /nfs/dbraw/zinc/61/52/72/521615272.db2.gz ULVIQRICOJHDKK-MAUKXSAKSA-N 1 1 359.474 2.832 10 30 FFEEMO CC[N@H+]1CCC[C@@H](NC(=O)CCn2cnc3sc(C)c(C)c3c2=O)C1 ZINC000328916186 729795775 /nfs/dbraw/zinc/79/57/75/729795775.db2.gz RDYQOQKRHGOOPK-CQSZACIVSA-N 1 1 362.499 2.906 10 30 FFEEMO CC[NH+]1CCC[C@@H](Nc2ccc(C#N)c(N[C@H]3CCC[N@H+](CC)C3)n2)C1 ZINC000302828324 258111603 /nfs/dbraw/zinc/11/16/03/258111603.db2.gz IOLHRPSWEBJGDY-MSOLQXFVSA-N 1 1 356.518 2.746 10 30 FFEEMO CC[NH+]1CCC[C@@H](Nc2ccc(C#N)c(N[C@H]3CCC[N@@H+](CC)C3)n2)C1 ZINC000302828324 258111604 /nfs/dbraw/zinc/11/16/04/258111604.db2.gz IOLHRPSWEBJGDY-MSOLQXFVSA-N 1 1 356.518 2.746 10 30 FFEEMO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000065885868 506386809 /nfs/dbraw/zinc/38/68/09/506386809.db2.gz LNUJCVVBKYGXTD-IBGZPJMESA-N 1 1 369.490 2.891 10 30 FFEEMO CCn1cc(C[N@@H+]2CCCN(C(=O)Nc3ccc(CC#N)cc3)CC2)cn1 ZINC000112734333 508216864 /nfs/dbraw/zinc/21/68/64/508216864.db2.gz NFZBDRCCLSYLJH-UHFFFAOYSA-N 1 1 366.469 2.709 10 30 FFEEMO CCn1cc(C[N@H+]2CCCN(C(=O)Nc3ccc(CC#N)cc3)CC2)cn1 ZINC000112734333 508216867 /nfs/dbraw/zinc/21/68/67/508216867.db2.gz NFZBDRCCLSYLJH-UHFFFAOYSA-N 1 1 366.469 2.709 10 30 FFEEMO C=CCn1c(C)cc(C(=O)CN2CC[N@@H+](CCOCC)[C@H](CC)C2)c1C ZINC000106118400 508395680 /nfs/dbraw/zinc/39/56/80/508395680.db2.gz LNSKGXXHEIJFBO-LJQANCHMSA-N 1 1 361.530 2.906 10 30 FFEEMO C=CCn1c(C)cc(C(=O)CN2CC[N@H+](CCOCC)[C@H](CC)C2)c1C ZINC000106118400 508395682 /nfs/dbraw/zinc/39/56/82/508395682.db2.gz LNSKGXXHEIJFBO-LJQANCHMSA-N 1 1 361.530 2.906 10 30 FFEEMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000156752842 508472215 /nfs/dbraw/zinc/47/22/15/508472215.db2.gz WEYKYIGITMVZGD-INIZCTEOSA-N 1 1 364.371 2.940 10 30 FFEEMO Cn1cc([C@@H]2CC[N@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)cn1 ZINC000116310820 508496933 /nfs/dbraw/zinc/49/69/33/508496933.db2.gz JYKWPHJPPXWJAV-MRXNPFEDSA-N 1 1 361.449 2.961 10 30 FFEEMO Cn1cc([C@@H]2CC[N@@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)cn1 ZINC000116310820 508496938 /nfs/dbraw/zinc/49/69/38/508496938.db2.gz JYKWPHJPPXWJAV-MRXNPFEDSA-N 1 1 361.449 2.961 10 30 FFEEMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000157743050 508605191 /nfs/dbraw/zinc/60/51/91/508605191.db2.gz OGJXJVOLBWTWOW-KRWDZBQOSA-N 1 1 352.438 2.775 10 30 FFEEMO C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000129272943 508706017 /nfs/dbraw/zinc/70/60/17/508706017.db2.gz DRMMPOAFEFFDIA-GOSISDBHSA-N 1 1 373.497 2.817 10 30 FFEEMO Cc1oc(NC(=O)[C@@H](C)N2CCC[C@@H]2Cn2cc[nH+]c2C)c(C#N)c1C ZINC000154571762 508812037 /nfs/dbraw/zinc/81/20/37/508812037.db2.gz APRFNNASZCTCNJ-CZUORRHYSA-N 1 1 355.442 2.765 10 30 FFEEMO COCC[N@H+]1CCN(Cc2ccc(OC)c(OCCCC#N)c2)C[C@H]1C ZINC000120845387 509075149 /nfs/dbraw/zinc/07/51/49/509075149.db2.gz ZZKVJHFUGHUMMT-QGZVFWFLSA-N 1 1 361.486 2.530 10 30 FFEEMO COc1cc(C#N)ccc1C[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000120873677 509080863 /nfs/dbraw/zinc/08/08/63/509080863.db2.gz NTJRHQQDPFZCDC-UHFFFAOYSA-N 1 1 367.453 2.535 10 30 FFEEMO COc1cc(C#N)ccc1C[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000120873677 509080864 /nfs/dbraw/zinc/08/08/64/509080864.db2.gz NTJRHQQDPFZCDC-UHFFFAOYSA-N 1 1 367.453 2.535 10 30 FFEEMO C=CCNC(=O)c1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000248003098 509214978 /nfs/dbraw/zinc/21/49/78/509214978.db2.gz KPDLJVZPGDIMCR-SJLPKXTDSA-N 1 1 356.470 2.550 10 30 FFEEMO C=CC[C@@H](C(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000189911703 509824558 /nfs/dbraw/zinc/82/45/58/509824558.db2.gz NYVMKNGRBCDFBD-LEWJYISDSA-N 1 1 355.526 2.975 10 30 FFEEMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000170987719 509878221 /nfs/dbraw/zinc/87/82/21/509878221.db2.gz KSUOGORPYXHWLQ-HZPDHXFCSA-N 1 1 358.511 2.799 10 30 FFEEMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000245200315 509881453 /nfs/dbraw/zinc/88/14/53/509881453.db2.gz JLNRWXXRKSSQQU-QGTPRVQTSA-N 1 1 355.438 2.693 10 30 FFEEMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245461088 509950139 /nfs/dbraw/zinc/95/01/39/509950139.db2.gz WDVFUOJYRBETNT-APWZRJJASA-N 1 1 351.454 2.892 10 30 FFEEMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245461088 509950141 /nfs/dbraw/zinc/95/01/41/509950141.db2.gz WDVFUOJYRBETNT-APWZRJJASA-N 1 1 351.454 2.892 10 30 FFEEMO CC[C@H]1CN(Cc2ccc(C#N)cc2Br)CC[N@H+]1CCOC ZINC000181095139 510274004 /nfs/dbraw/zinc/27/40/04/510274004.db2.gz WPGQZMKCLFVRCY-INIZCTEOSA-N 1 1 366.303 2.863 10 30 FFEEMO CC[C@@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)CC[N@H+]1C[C@@H](C)O ZINC000174733455 510276903 /nfs/dbraw/zinc/27/69/03/510276903.db2.gz FBXJHSZLEJZNMH-IUODEOHRSA-N 1 1 360.408 2.666 10 30 FFEEMO CC[N@H+]1CCC[C@H]1CN(C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000175339531 510596527 /nfs/dbraw/zinc/59/65/27/510596527.db2.gz HPHBYXDHVIBJPB-IBGZPJMESA-N 1 1 356.514 2.966 10 30 FFEEMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246669290 510608733 /nfs/dbraw/zinc/60/87/33/510608733.db2.gz LZXGXZJAKUNFBN-FXAWDEMLSA-N 1 1 364.449 2.870 10 30 FFEEMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246669290 510608736 /nfs/dbraw/zinc/60/87/36/510608736.db2.gz LZXGXZJAKUNFBN-FXAWDEMLSA-N 1 1 364.449 2.870 10 30 FFEEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCCSCc2ccccc2C#N)C1 ZINC000246807077 510685673 /nfs/dbraw/zinc/68/56/73/510685673.db2.gz DFEBSKIEINQPIG-MAUKXSAKSA-N 1 1 360.527 2.819 10 30 FFEEMO CN(Cc1cccnc1)C[C@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000195300452 510772147 /nfs/dbraw/zinc/77/21/47/510772147.db2.gz FTIIYTGAOQFUBQ-HXUWFJFHSA-N 1 1 350.466 2.786 10 30 FFEEMO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(CCOc2ccc(C#N)cc2)C1 ZINC000195300452 510772151 /nfs/dbraw/zinc/77/21/51/510772151.db2.gz FTIIYTGAOQFUBQ-HXUWFJFHSA-N 1 1 350.466 2.786 10 30 FFEEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(CCOc2ccc(C#N)cc2)C1 ZINC000195300452 510772156 /nfs/dbraw/zinc/77/21/56/510772156.db2.gz FTIIYTGAOQFUBQ-HXUWFJFHSA-N 1 1 350.466 2.786 10 30 FFEEMO CCCC(=O)N[C@H]1CCCN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)C1 ZINC000330003747 510899211 /nfs/dbraw/zinc/89/92/11/510899211.db2.gz AMWILPKFPMYRSL-HNNXBMFYSA-N 1 1 372.473 2.584 10 30 FFEEMO C[C@H](CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C)[N@H+]1CCc2ccccc2C1 ZINC000330077950 510912589 /nfs/dbraw/zinc/91/25/89/510912589.db2.gz NFNGYUAZXOABNQ-XFQXTVEOSA-N 1 1 368.481 2.901 10 30 FFEEMO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328686165 511915141 /nfs/dbraw/zinc/91/51/41/511915141.db2.gz GDYWAWHPBVQUHI-BRWVUGGUSA-N 1 1 370.453 2.705 10 30 FFEEMO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328686165 511915145 /nfs/dbraw/zinc/91/51/45/511915145.db2.gz GDYWAWHPBVQUHI-BRWVUGGUSA-N 1 1 370.453 2.705 10 30 FFEEMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328746706 511925907 /nfs/dbraw/zinc/92/59/07/511925907.db2.gz OSTPGJGPUKKTCR-XUWVNRHRSA-N 1 1 350.507 2.898 10 30 FFEEMO C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCS[C@@H](C)C1 ZINC000329004376 511966305 /nfs/dbraw/zinc/96/63/05/511966305.db2.gz MCOAKWPPEYLKFP-NWDGAFQWSA-N 1 1 365.455 2.786 10 30 FFEEMO C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCS[C@@H](C)C1 ZINC000329004376 511966309 /nfs/dbraw/zinc/96/63/09/511966309.db2.gz MCOAKWPPEYLKFP-NWDGAFQWSA-N 1 1 365.455 2.786 10 30 FFEEMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)N[C@@H]1CCCSC1 ZINC000329058621 511976108 /nfs/dbraw/zinc/97/61/08/511976108.db2.gz MVSQETKOJSXFMC-ZMSDIMECSA-N 1 1 365.547 2.544 10 30 FFEEMO Cc1noc([C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@H]3c3ccccc3)C2)n1 ZINC000329075044 511977988 /nfs/dbraw/zinc/97/79/88/511977988.db2.gz PLWNHPFWGORFIK-ZACQAIPSSA-N 1 1 355.442 2.527 10 30 FFEEMO Cc1cnn(CC2CC[NH+]([C@H](C)C(=O)Nc3c(C)nn(C)c3C)CC2)c1 ZINC000329104483 511984944 /nfs/dbraw/zinc/98/49/44/511984944.db2.gz CNZVCTXDBCZMSD-MRXNPFEDSA-N 1 1 358.490 2.931 10 30 FFEEMO CNC(=O)[C@H]1C[N@@H+](C[C@@H]2CCc3ccccc3C2)C[C@@H]1c1cnn(C)c1 ZINC000329119829 511987000 /nfs/dbraw/zinc/98/70/00/511987000.db2.gz JXXPHCGXKOZQDB-YSGRDPCXSA-N 1 1 352.482 2.827 10 30 FFEEMO C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000329526236 512063671 /nfs/dbraw/zinc/06/36/71/512063671.db2.gz HKSJNEPSXBNRCX-VYDXJSESSA-N 1 1 359.470 2.819 10 30 FFEEMO Cc1cc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)ccc1C#N ZINC000386461259 512889791 /nfs/dbraw/zinc/88/97/91/512889791.db2.gz SQVHFCSEBKWFOJ-INIZCTEOSA-N 1 1 357.479 2.666 10 30 FFEEMO CC(C)[N@H+]1CCCN(C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329281480 967616209 /nfs/dbraw/zinc/61/62/09/967616209.db2.gz NHAWSEZREHLOGE-MRXNPFEDSA-N 1 1 361.534 2.826 10 30 FFEEMO CC(C)[N@@H+]1CCCN(C([O-])=[NH+][C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329281480 967616215 /nfs/dbraw/zinc/61/62/15/967616215.db2.gz NHAWSEZREHLOGE-MRXNPFEDSA-N 1 1 361.534 2.826 10 30 FFEEMO CC(C)[N@H+]1CCCN(C([O-])=[NH+][C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329281480 967616219 /nfs/dbraw/zinc/61/62/19/967616219.db2.gz NHAWSEZREHLOGE-MRXNPFEDSA-N 1 1 361.534 2.826 10 30 FFEEMO C=CCC[C@H](C[N@@H+](C)CCN(C)C)Oc1ccc(-c2nc(C)no2)cn1 ZINC000072453560 210065280 /nfs/dbraw/zinc/06/52/80/210065280.db2.gz DLOLKQZWDKAHIN-QGZVFWFLSA-N 1 1 359.474 2.647 10 30 FFEEMO C=CCC[C@H](C[N@H+](C)CCN(C)C)Oc1ccc(-c2nc(C)no2)cn1 ZINC000072453560 210065283 /nfs/dbraw/zinc/06/52/83/210065283.db2.gz DLOLKQZWDKAHIN-QGZVFWFLSA-N 1 1 359.474 2.647 10 30 FFEEMO CC(C)c1nc2c(n1C)CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C2 ZINC000106369964 250265227 /nfs/dbraw/zinc/26/52/27/250265227.db2.gz SXCGPNFVNMEXDX-UHFFFAOYSA-N 1 1 351.454 2.802 10 30 FFEEMO C=CCOc1ccc(C(=O)N2CCC[N@@H+](Cc3cnn(CC)c3)CC2)cc1 ZINC000109661308 507977182 /nfs/dbraw/zinc/97/71/82/507977182.db2.gz PMGLFVPRGCKRBY-UHFFFAOYSA-N 1 1 368.481 2.816 10 30 FFEEMO C=CCOc1ccc(C(=O)N2CCC[N@H+](Cc3cnn(CC)c3)CC2)cc1 ZINC000109661308 507977185 /nfs/dbraw/zinc/97/71/85/507977185.db2.gz PMGLFVPRGCKRBY-UHFFFAOYSA-N 1 1 368.481 2.816 10 30 FFEEMO C=CCOc1cccc(NC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000098029871 508231441 /nfs/dbraw/zinc/23/14/41/508231441.db2.gz BEMTTXCUVCWSGG-INIZCTEOSA-N 1 1 359.470 2.968 10 30 FFEEMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1C ZINC000116317762 508497808 /nfs/dbraw/zinc/49/78/08/508497808.db2.gz KONKGMDEMCONLV-GOSISDBHSA-N 1 1 365.481 2.773 10 30 FFEEMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1C ZINC000116317762 508497813 /nfs/dbraw/zinc/49/78/13/508497813.db2.gz KONKGMDEMCONLV-GOSISDBHSA-N 1 1 365.481 2.773 10 30 FFEEMO CC(C)Oc1ccc(NC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc1C#N ZINC000157625364 508589558 /nfs/dbraw/zinc/58/95/58/508589558.db2.gz ZEGJPMQQLQPEKC-CRAIPNDOSA-N 1 1 372.469 2.530 10 30 FFEEMO COCC[N@H+]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H]1C ZINC000120786838 509064321 /nfs/dbraw/zinc/06/43/21/509064321.db2.gz IOJQRAWLUAGJNM-GOSISDBHSA-N 1 1 367.497 2.616 10 30 FFEEMO COCCN1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H]1C ZINC000120786838 509064326 /nfs/dbraw/zinc/06/43/26/509064326.db2.gz IOJQRAWLUAGJNM-GOSISDBHSA-N 1 1 367.497 2.616 10 30 FFEEMO COCCN1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H]1C ZINC000120786838 509064332 /nfs/dbraw/zinc/06/43/32/509064332.db2.gz IOJQRAWLUAGJNM-GOSISDBHSA-N 1 1 367.497 2.616 10 30 FFEEMO C[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000191871476 509224171 /nfs/dbraw/zinc/22/41/71/509224171.db2.gz WDPCNNLDCBRMKT-UHFFFAOYSA-N 1 1 372.469 2.828 10 30 FFEEMO C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000191871476 509224175 /nfs/dbraw/zinc/22/41/75/509224175.db2.gz WDPCNNLDCBRMKT-UHFFFAOYSA-N 1 1 372.469 2.828 10 30 FFEEMO C=C(C)[C@@H](NC(=O)N1CC[NH+](C[C@H](O)CC)CC1)c1ccc(F)c(F)c1 ZINC000185848100 509383302 /nfs/dbraw/zinc/38/33/02/509383302.db2.gz PTFPFRQUSKWMAQ-CRAIPNDOSA-N 1 1 367.440 2.680 10 30 FFEEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ncccc1OCCCC#N ZINC000248886098 509528428 /nfs/dbraw/zinc/52/84/28/509528428.db2.gz XXJJSQWVXOWMGI-HOTGVXAUSA-N 1 1 357.458 2.855 10 30 FFEEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000189347390 509531370 /nfs/dbraw/zinc/53/13/70/509531370.db2.gz FRRCSHRWRSXZQN-HXUWFJFHSA-N 1 1 374.488 2.965 10 30 FFEEMO CCc1nccn1[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000171524867 510207144 /nfs/dbraw/zinc/20/71/44/510207144.db2.gz ZXNAKBPEUQGEJB-SFHVURJKSA-N 1 1 351.454 2.983 10 30 FFEEMO CCn1cc([C@@H]2C[N@H+](Cc3ccc(N(C)CCC#N)cc3)CCO2)cn1 ZINC000191708139 510794976 /nfs/dbraw/zinc/79/49/76/510794976.db2.gz GXTVIDOMBAWOGR-FQEVSTJZSA-N 1 1 353.470 2.826 10 30 FFEEMO CCn1cc([C@@H]2C[N@@H+](Cc3ccc(N(C)CCC#N)cc3)CCO2)cn1 ZINC000191708139 510794984 /nfs/dbraw/zinc/79/49/84/510794984.db2.gz GXTVIDOMBAWOGR-FQEVSTJZSA-N 1 1 353.470 2.826 10 30 FFEEMO C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C)[N@H+]1CCc2ccccc2C1 ZINC000330077949 510912249 /nfs/dbraw/zinc/91/22/49/510912249.db2.gz NFNGYUAZXOABNQ-QKYXUNIQSA-N 1 1 368.481 2.901 10 30 FFEEMO Cc1nc([C@@H]2CCCN2C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)cs1 ZINC000330196580 510935088 /nfs/dbraw/zinc/93/50/88/510935088.db2.gz QMVOEFYKQDGVEU-YOEHRIQHSA-N 1 1 365.547 2.528 10 30 FFEEMO C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000330222062 510941223 /nfs/dbraw/zinc/94/12/23/510941223.db2.gz MCOOGIJAKZKWKO-MTFMMBMASA-N 1 1 374.529 2.633 10 30 FFEEMO Cc1ccc(CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cn1 ZINC000330320073 510963286 /nfs/dbraw/zinc/96/32/86/510963286.db2.gz DUGYETBLRJACEY-PKOBYXMFSA-N 1 1 370.501 2.552 10 30 FFEEMO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000328686166 511914871 /nfs/dbraw/zinc/91/48/71/511914871.db2.gz GDYWAWHPBVQUHI-IXDOHACOSA-N 1 1 370.453 2.705 10 30 FFEEMO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000328686166 511914877 /nfs/dbraw/zinc/91/48/77/511914877.db2.gz GDYWAWHPBVQUHI-IXDOHACOSA-N 1 1 370.453 2.705 10 30 FFEEMO C[N@@H+]1CCN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)[C@H](c2ccccc2)C1 ZINC000328724134 511920531 /nfs/dbraw/zinc/92/05/31/511920531.db2.gz YJJMFXNJLKJSCC-DLBZAZTESA-N 1 1 356.470 2.931 10 30 FFEEMO C[N@H+]1CCN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)[C@H](c2ccccc2)C1 ZINC000328724134 511920540 /nfs/dbraw/zinc/92/05/40/511920540.db2.gz YJJMFXNJLKJSCC-DLBZAZTESA-N 1 1 356.470 2.931 10 30 FFEEMO O=C(CC[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)N[C@@H]1CCCc2ccccc21 ZINC000329197008 512002811 /nfs/dbraw/zinc/00/28/11/512002811.db2.gz VAUJRXHSAVMCEB-CGTJXYLNSA-N 1 1 362.495 2.530 10 30 FFEEMO O=C(CC[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)N[C@@H]1CCCc2ccccc21 ZINC000329197008 512002816 /nfs/dbraw/zinc/00/28/16/512002816.db2.gz VAUJRXHSAVMCEB-CGTJXYLNSA-N 1 1 362.495 2.530 10 30 FFEEMO Cn1nccc1[C@H]1[C@H](CNC(=O)c2cc(=O)[nH]c(C3CC3)c2)CCC[N@H+]1C ZINC000329196460 512002902 /nfs/dbraw/zinc/00/29/02/512002902.db2.gz SXGFCVQIFHLYPQ-IFXJQAMLSA-N 1 1 369.469 2.786 10 30 FFEEMO CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+]C[C@H]2COc3ccccc3O2)C1 ZINC000329638793 512080132 /nfs/dbraw/zinc/08/01/32/512080132.db2.gz YWXMUPMOTVONLK-CVEARBPZSA-N 1 1 370.453 2.836 10 30 FFEEMO Cc1cnc([C@H](C)NC(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC000329299387 729797221 /nfs/dbraw/zinc/79/72/21/729797221.db2.gz VBQXOKHFASNNCE-YHUYYLMFSA-N 1 1 350.463 2.532 10 30 FFEEMO C[C@H]1CCCC[N@H+]1CCC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000328755052 963278455 /nfs/dbraw/zinc/27/84/55/963278455.db2.gz DZVZCYWQUSQZEN-SFHVURJKSA-N 1 1 372.513 2.683 10 30 FFEEMO Cc1ccc([C@H](C)NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c(C)c1 ZINC000330129603 970441162 /nfs/dbraw/zinc/44/11/62/970441162.db2.gz KBIJXUVAZZYMIN-HKUYNNGSSA-N 1 1 372.513 2.517 10 30 FFEEMO CCc1nccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000106214435 250254827 /nfs/dbraw/zinc/25/48/27/250254827.db2.gz QNGRVGJNFHBGFA-QGZVFWFLSA-N 1 1 351.454 2.983 10 30 FFEEMO Cc1cc(N2CC[C@@H]([NH+]3CCOCC3)C2)n2c3ccccc3nc2c1C#N ZINC000301471488 258051004 /nfs/dbraw/zinc/05/10/04/258051004.db2.gz TWTOITXNMSFPOB-MRXNPFEDSA-N 1 1 361.449 2.579 10 30 FFEEMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C[C@H](O)c3ccccc3)CC2)cc1 ZINC000091031805 507943911 /nfs/dbraw/zinc/94/39/11/507943911.db2.gz RXHRORGZXRJXBB-NRFANRHFSA-N 1 1 363.461 2.716 10 30 FFEEMO C=CCc1cc(C[N@H+]2CCCN(c3ccc(C)nn3)CC2)cc(OC)c1O ZINC000093271744 508131931 /nfs/dbraw/zinc/13/19/31/508131931.db2.gz CKEOPZVUZOSROR-UHFFFAOYSA-N 1 1 368.481 2.940 10 30 FFEEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000113270055 508256534 /nfs/dbraw/zinc/25/65/34/508256534.db2.gz HYEAJEKYKRCIGM-HUUCEWRRSA-N 1 1 372.538 2.996 10 30 FFEEMO COc1ccc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)cc1OCCCC#N ZINC000128468083 508596704 /nfs/dbraw/zinc/59/67/04/508596704.db2.gz QGGHITUVNUUOOC-GOSISDBHSA-N 1 1 369.469 2.881 10 30 FFEEMO C=CCNc1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000129022069 508671999 /nfs/dbraw/zinc/67/19/99/508671999.db2.gz KLWUUBYZCSADMN-HOCLYGCPSA-N 1 1 371.510 2.776 10 30 FFEEMO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180017733 509712506 /nfs/dbraw/zinc/71/25/06/509712506.db2.gz LPPOJONXMSXCMJ-IBGZPJMESA-N 1 1 365.481 2.839 10 30 FFEEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CCCOc1ccc(C#N)cc1OC ZINC000176988383 509803098 /nfs/dbraw/zinc/80/30/98/509803098.db2.gz ZJUXJJALLGACJD-QGZVFWFLSA-N 1 1 359.470 2.669 10 30 FFEEMO C[N@H+](CC#Cc1ccc(Cl)cc1)C1CCN(CCn2cccn2)CC1 ZINC000177133880 509892269 /nfs/dbraw/zinc/89/22/69/509892269.db2.gz UKAUSXLIXBTAME-UHFFFAOYSA-N 1 1 356.901 2.984 10 30 FFEEMO C[N@@H+](CC#Cc1ccc(Cl)cc1)C1CCN(CCn2cccn2)CC1 ZINC000177133880 509892275 /nfs/dbraw/zinc/89/22/75/509892275.db2.gz UKAUSXLIXBTAME-UHFFFAOYSA-N 1 1 356.901 2.984 10 30 FFEEMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245446498 509940376 /nfs/dbraw/zinc/94/03/76/509940376.db2.gz LDWHTUNHTRQHTH-OUBFZGACSA-N 1 1 357.502 2.876 10 30 FFEEMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245446498 509940377 /nfs/dbraw/zinc/94/03/77/509940377.db2.gz LDWHTUNHTRQHTH-OUBFZGACSA-N 1 1 357.502 2.876 10 30 FFEEMO CCn1cc(CN2CCC[N@@H+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)cn1 ZINC000245786012 510145936 /nfs/dbraw/zinc/14/59/36/510145936.db2.gz VERMXIVULAPEAO-GOSISDBHSA-N 1 1 367.497 2.902 10 30 FFEEMO C=C(C)COc1cccc(NC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000177827884 510274692 /nfs/dbraw/zinc/27/46/92/510274692.db2.gz DOEXNOYNDMIXRI-APWZRJJASA-N 1 1 359.470 2.826 10 30 FFEEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NCc2ccc(C#N)cc2)C1 ZINC000190691246 510287425 /nfs/dbraw/zinc/28/74/25/510287425.db2.gz HXCRTKMUCRKNBC-FQEVSTJZSA-N 1 1 363.465 2.617 10 30 FFEEMO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000246115417 510302358 /nfs/dbraw/zinc/30/23/58/510302358.db2.gz XZEOWUDNWYMUEP-ROUUACIJSA-N 1 1 351.454 2.747 10 30 FFEEMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000246115417 510302366 /nfs/dbraw/zinc/30/23/66/510302366.db2.gz XZEOWUDNWYMUEP-ROUUACIJSA-N 1 1 351.454 2.747 10 30 FFEEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCc1ccc(C#N)cc1 ZINC000246974814 510776872 /nfs/dbraw/zinc/77/68/72/510776872.db2.gz KLHBTJXDPYIYPJ-OXQOHEQNSA-N 1 1 363.465 2.663 10 30 FFEEMO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000247059349 510820355 /nfs/dbraw/zinc/82/03/55/510820355.db2.gz GRQZCOLSVGPIIK-HOTGVXAUSA-N 1 1 358.511 2.657 10 30 FFEEMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247537832 510864851 /nfs/dbraw/zinc/86/48/51/510864851.db2.gz QHPINJAOEHWLCK-JKSUJKDBSA-N 1 1 358.511 2.874 10 30 FFEEMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247565334 510865953 /nfs/dbraw/zinc/86/59/53/510865953.db2.gz VPXHWBBQMPLOED-QWHCGFSZSA-N 1 1 369.494 2.658 10 30 FFEEMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247565334 510865954 /nfs/dbraw/zinc/86/59/54/510865954.db2.gz VPXHWBBQMPLOED-QWHCGFSZSA-N 1 1 369.494 2.658 10 30 FFEEMO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000330086403 510914258 /nfs/dbraw/zinc/91/42/58/510914258.db2.gz SBIPNFKEIZVAHZ-YQVWRLOYSA-N 1 1 354.454 2.729 10 30 FFEEMO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000330175171 510929427 /nfs/dbraw/zinc/92/94/27/510929427.db2.gz IXLDDTTXGHHWSI-XBHMSOGKSA-N 1 1 367.453 2.993 10 30 FFEEMO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N1CCC[C@@H](Cc3noc(C)n3)C1)CCC2 ZINC000328659729 511911235 /nfs/dbraw/zinc/91/12/35/511911235.db2.gz UBRZFWZCQDPZKD-HOTGVXAUSA-N 1 1 372.473 2.629 10 30 FFEEMO COc1cccc([C@@H]2[C@H](NC(=O)N[C@@H]3CCO[C@H]3C)CC[N@H+]2C2CC2)c1 ZINC000329226706 512008987 /nfs/dbraw/zinc/00/89/87/512008987.db2.gz APMWBSVQOFNPAI-JGNHQEBTSA-N 1 1 359.470 2.654 10 30 FFEEMO C[C@H](CN1CCN(C)CC1)NC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000329335056 512029472 /nfs/dbraw/zinc/02/94/72/512029472.db2.gz XQEOKFABUDHXNT-CJNGLKHVSA-N 1 1 362.499 2.731 10 30 FFEEMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000329335056 512029478 /nfs/dbraw/zinc/02/94/78/512029478.db2.gz XQEOKFABUDHXNT-CJNGLKHVSA-N 1 1 362.499 2.731 10 30 FFEEMO CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N1CC[NH+](C3CCC3)CC1)C2 ZINC000329383641 512037311 /nfs/dbraw/zinc/03/73/11/512037311.db2.gz OYLUWHMAAPNPGU-OAHLLOKOSA-N 1 1 359.518 2.580 10 30 FFEEMO CC[C@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CCS1 ZINC000329431050 512046040 /nfs/dbraw/zinc/04/60/40/512046040.db2.gz HSBWUXORDFATLS-YQQAZPJKSA-N 1 1 365.547 2.544 10 30 FFEEMO C[C@@H](CC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)NC(=O)C1CCCCC1 ZINC000329596266 512074648 /nfs/dbraw/zinc/07/46/48/512074648.db2.gz VRYVQBMFABYXGP-LZLYRXPVSA-N 1 1 365.518 2.623 10 30 FFEEMO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@H](CCO)C1 ZINC000329636590 512080851 /nfs/dbraw/zinc/08/08/51/512080851.db2.gz YFOQHKOHQBQPRG-GQYGNMKRSA-N 1 1 363.502 2.919 10 30 FFEEMO C[C@H]1C[N@H+](C2CCN(c3ccc(C(F)(F)F)c(C#N)n3)CC2)CCO1 ZINC000408436076 513067149 /nfs/dbraw/zinc/06/71/49/513067149.db2.gz UJEWIPUZLNSCNL-LBPRGKRZSA-N 1 1 354.376 2.662 10 30 FFEEMO CCCCCCCC(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000109646331 728528282 /nfs/dbraw/zinc/52/82/82/728528282.db2.gz GUAHBVVTCYZVRQ-LJQANCHMSA-N 1 1 353.551 2.600 10 30 FFEEMO O=C(C[N@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1)NC(=O)NC1CC1 ZINC000329608825 729798040 /nfs/dbraw/zinc/79/80/40/729798040.db2.gz CUKVKBJLRBRJAJ-SECBINFHSA-N 1 1 359.352 2.641 10 30 FFEEMO O=C(C[N@@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1)NC(=O)NC1CC1 ZINC000329608825 729798042 /nfs/dbraw/zinc/79/80/42/729798042.db2.gz CUKVKBJLRBRJAJ-SECBINFHSA-N 1 1 359.352 2.641 10 30 FFEEMO CN1C[C@H](NC(=O)[C@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CCC1=O ZINC000329348042 967655331 /nfs/dbraw/zinc/65/53/31/967655331.db2.gz VVBGHUWTPOCNCI-OPYAIIAOSA-N 1 1 355.482 2.866 10 30 FFEEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329784958 968036431 /nfs/dbraw/zinc/03/64/31/968036431.db2.gz WOEBNTHTJLUMRN-GVDBMIGSSA-N 1 1 373.545 2.968 10 30 FFEEMO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329784958 968036438 /nfs/dbraw/zinc/03/64/38/968036438.db2.gz WOEBNTHTJLUMRN-GVDBMIGSSA-N 1 1 373.545 2.968 10 30 FFEEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329784958 968036445 /nfs/dbraw/zinc/03/64/45/968036445.db2.gz WOEBNTHTJLUMRN-GVDBMIGSSA-N 1 1 373.545 2.968 10 30 FFEEMO CCN1CCN(c2ccc(CNC(=[NH2+])Nc3cc(C)cc(C)c3)cn2)CC1 ZINC000104165995 1009930416 /nfs/dbraw/zinc/93/04/16/1009930416.db2.gz GLILGESLCRSNCP-UHFFFAOYSA-N 1 1 366.513 2.767 10 30 FFEEMO N#Cc1ccc(NC(=O)CC[N@@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000121431865 509173592 /nfs/dbraw/zinc/17/35/92/509173592.db2.gz ABFWAIVJQPBGHH-QFBILLFUSA-N 1 1 371.387 2.973 10 30 FFEEMO N#Cc1ccc(NC(=O)CC[N@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1 ZINC000121431865 509173594 /nfs/dbraw/zinc/17/35/94/509173594.db2.gz ABFWAIVJQPBGHH-QFBILLFUSA-N 1 1 371.387 2.973 10 30 FFEEMO C#Cc1cccc(NC(=O)N2CCC([N@H+](C)CC(=O)OC(C)(C)C)CC2)c1 ZINC000192209989 509404721 /nfs/dbraw/zinc/40/47/21/509404721.db2.gz TWVJOHDSVQILTC-UHFFFAOYSA-N 1 1 371.481 2.938 10 30 FFEEMO C#Cc1cccc(NC(=O)N2CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC2)c1 ZINC000192209989 509404726 /nfs/dbraw/zinc/40/47/26/509404726.db2.gz TWVJOHDSVQILTC-UHFFFAOYSA-N 1 1 371.481 2.938 10 30 FFEEMO C=C(C)[C@H](NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000251739323 509819699 /nfs/dbraw/zinc/81/96/99/509819699.db2.gz QCUQKSSPEFCZQY-GLJUWKHASA-N 1 1 367.440 2.679 10 30 FFEEMO C=CC[C@H](C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000189911649 509824821 /nfs/dbraw/zinc/82/48/21/509824821.db2.gz NYVMKNGRBCDFBD-RTWAWAEBSA-N 1 1 355.526 2.975 10 30 FFEEMO CC[N@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000245470243 509955604 /nfs/dbraw/zinc/95/56/04/509955604.db2.gz MQRHNGZBSMZZHD-APWZRJJASA-N 1 1 360.477 2.877 10 30 FFEEMO CC[N@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000245470244 509956355 /nfs/dbraw/zinc/95/63/55/509956355.db2.gz MQRHNGZBSMZZHD-VQIMIIECSA-N 1 1 360.477 2.877 10 30 FFEEMO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)C2=O)cc1 ZINC000245520644 509982592 /nfs/dbraw/zinc/98/25/92/509982592.db2.gz JZCDOXAFERUHDT-LMNJBCLMSA-N 1 1 353.466 2.681 10 30 FFEEMO COc1cnccc1[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000187008718 510002753 /nfs/dbraw/zinc/00/27/53/510002753.db2.gz KZMIQERVCDCQBN-KBXCAEBGSA-N 1 1 350.422 2.808 10 30 FFEEMO Cc1nc(C[C@@H]2CCC[N@H+](CC(=O)N(CCC#N)c3ccccc3)C2)no1 ZINC000171408038 510140582 /nfs/dbraw/zinc/14/05/82/510140582.db2.gz BUCZPYVWQUSLKZ-KRWDZBQOSA-N 1 1 367.453 2.579 10 30 FFEEMO Cc1nc(C[C@@H]2CCC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C2)no1 ZINC000171408038 510140587 /nfs/dbraw/zinc/14/05/87/510140587.db2.gz BUCZPYVWQUSLKZ-KRWDZBQOSA-N 1 1 367.453 2.579 10 30 FFEEMO C=C(C)CN(CC)C(=O)CN1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195254222 510738945 /nfs/dbraw/zinc/73/89/45/510738945.db2.gz FJCYFYKWCUQILF-KRWDZBQOSA-N 1 1 364.559 2.630 10 30 FFEEMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000195254222 510738951 /nfs/dbraw/zinc/73/89/51/510738951.db2.gz FJCYFYKWCUQILF-KRWDZBQOSA-N 1 1 364.559 2.630 10 30 FFEEMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000195254222 510738958 /nfs/dbraw/zinc/73/89/58/510738958.db2.gz FJCYFYKWCUQILF-KRWDZBQOSA-N 1 1 364.559 2.630 10 30 FFEEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000247469938 510861979 /nfs/dbraw/zinc/86/19/79/510861979.db2.gz ROUZCHCPANIJQA-YOEHRIQHSA-N 1 1 365.399 2.935 10 30 FFEEMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247868199 510871831 /nfs/dbraw/zinc/87/18/31/510871831.db2.gz XCZJEVUJBXMYNY-ZIAGYGMSSA-N 1 1 372.860 2.542 10 30 FFEEMO CC(=O)N(Cc1cncnc1)[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000328631203 511901712 /nfs/dbraw/zinc/90/17/12/511901712.db2.gz KGEKTCZNSIBEFI-KRWDZBQOSA-N 1 1 369.494 2.813 10 30 FFEEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000329022951 511969229 /nfs/dbraw/zinc/96/92/29/511969229.db2.gz MTJQQILRUONTFK-ATZDWAIDSA-N 1 1 355.482 2.864 10 30 FFEEMO Cc1noc([C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@@H]3c3ccccc3)C2)n1 ZINC000329075043 511978042 /nfs/dbraw/zinc/97/80/42/511978042.db2.gz PLWNHPFWGORFIK-BRWVUGGUSA-N 1 1 355.442 2.527 10 30 FFEEMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N[C@@H]1CCCNC1=O ZINC000329495483 512057101 /nfs/dbraw/zinc/05/71/01/512057101.db2.gz WZSWPULXKSGSSX-HQSKLWIPSA-N 1 1 356.470 2.805 10 30 FFEEMO C[C@H](CNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)c1nc(-c2ccccc2)no1 ZINC000329548628 512069022 /nfs/dbraw/zinc/06/90/22/512069022.db2.gz OUQPHEXXXZDVKO-HLLBOEOZSA-N 1 1 369.469 2.780 10 30 FFEEMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000329654755 967916792 /nfs/dbraw/zinc/91/67/92/967916792.db2.gz MAAXGXBQQOPVQB-DOTOQJQBSA-N 1 1 359.470 2.995 10 30 FFEEMO C[C@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCOC[C@@H]1C ZINC000301383130 258046286 /nfs/dbraw/zinc/04/62/86/258046286.db2.gz BAJCNZMVZPBPHO-OLZOCXBDSA-N 1 1 355.398 2.536 10 30 FFEEMO C[C@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[N@H+]1CCOC[C@@H]1C ZINC000301383130 258046288 /nfs/dbraw/zinc/04/62/88/258046288.db2.gz BAJCNZMVZPBPHO-OLZOCXBDSA-N 1 1 355.398 2.536 10 30 FFEEMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c(OC)c1 ZINC000051404339 507767707 /nfs/dbraw/zinc/76/77/07/507767707.db2.gz NVPGLDDEGFBSDJ-QYZOEREBSA-N 1 1 361.482 2.807 10 30 FFEEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccccc2C#N)C1 ZINC000109677359 507979693 /nfs/dbraw/zinc/97/96/93/507979693.db2.gz CSTOARHTLFSMLT-WBVHZDCISA-N 1 1 352.438 2.948 10 30 FFEEMO CC(C)Oc1ccc(NC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc1C#N ZINC000157625509 508589677 /nfs/dbraw/zinc/58/96/77/508589677.db2.gz ZEGJPMQQLQPEKC-MAUKXSAKSA-N 1 1 372.469 2.530 10 30 FFEEMO Cc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000123118542 508639668 /nfs/dbraw/zinc/63/96/68/508639668.db2.gz FQPQLVOLRKGFCE-OAHLLOKOSA-N 1 1 364.858 2.570 10 30 FFEEMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000154657844 508827848 /nfs/dbraw/zinc/82/78/48/508827848.db2.gz LZXGXZJAKUNFBN-PXNSSMCTSA-N 1 1 364.449 2.870 10 30 FFEEMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000154657844 508827849 /nfs/dbraw/zinc/82/78/49/508827849.db2.gz LZXGXZJAKUNFBN-PXNSSMCTSA-N 1 1 364.449 2.870 10 30 FFEEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CCCOc3cccc(C#N)c3)C2)n1 ZINC000156216652 509146236 /nfs/dbraw/zinc/14/62/36/509146236.db2.gz SVLKZWBRZRNDDQ-IBGZPJMESA-N 1 1 353.470 2.948 10 30 FFEEMO Cc1cc(C)n(C[C@H]2C[N@H+](CCCOc3cccc(C#N)c3)CCO2)n1 ZINC000156225230 509146718 /nfs/dbraw/zinc/14/67/18/509146718.db2.gz KRIGCHMPGJJJHL-HXUWFJFHSA-N 1 1 354.454 2.542 10 30 FFEEMO Cc1cc(C)n(C[C@H]2C[N@@H+](CCCOc3cccc(C#N)c3)CCO2)n1 ZINC000156225230 509146720 /nfs/dbraw/zinc/14/67/20/509146720.db2.gz KRIGCHMPGJJJHL-HXUWFJFHSA-N 1 1 354.454 2.542 10 30 FFEEMO N#Cc1ccccc1NC(=O)CC[N@@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121564258 509178544 /nfs/dbraw/zinc/17/85/44/509178544.db2.gz NGIBGEQAOMMNMM-DNVCBOLYSA-N 1 1 371.387 2.973 10 30 FFEEMO N#Cc1ccccc1NC(=O)CC[N@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121564258 509178545 /nfs/dbraw/zinc/17/85/45/509178545.db2.gz NGIBGEQAOMMNMM-DNVCBOLYSA-N 1 1 371.387 2.973 10 30 FFEEMO C=C(C)[C@H](NC(=O)N1CC[NH+](C[C@@H](O)CC)CC1)c1ccc(F)c(F)c1 ZINC000185848121 509383384 /nfs/dbraw/zinc/38/33/84/509383384.db2.gz PTFPFRQUSKWMAQ-YJBOKZPZSA-N 1 1 367.440 2.680 10 30 FFEEMO C=C(C)[C@@H](NC(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000185849239 509385330 /nfs/dbraw/zinc/38/53/30/509385330.db2.gz FNHASYHMDHNRSQ-KBXCAEBGSA-N 1 1 367.440 2.944 10 30 FFEEMO C=C(C)[C@@H](NC(=O)N1CC[N@H+](CCOC)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000185849239 509385338 /nfs/dbraw/zinc/38/53/38/509385338.db2.gz FNHASYHMDHNRSQ-KBXCAEBGSA-N 1 1 367.440 2.944 10 30 FFEEMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C#N)c(O)c2)C1 ZINC000189245475 509481069 /nfs/dbraw/zinc/48/10/69/509481069.db2.gz FKKSNLSXPMMNIE-AWEZNQCLSA-N 1 1 370.478 2.623 10 30 FFEEMO C=C(C)[C@H](NC(=O)N1CC[N@@H+](CCOC)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000251502745 509808829 /nfs/dbraw/zinc/80/88/29/509808829.db2.gz FNHASYHMDHNRSQ-KDOFPFPSSA-N 1 1 367.440 2.944 10 30 FFEEMO C=C(C)[C@H](NC(=O)N1CC[N@H+](CCOC)[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000251502745 509808837 /nfs/dbraw/zinc/80/88/37/509808837.db2.gz FNHASYHMDHNRSQ-KDOFPFPSSA-N 1 1 367.440 2.944 10 30 FFEEMO CCOCC[N@@H+]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@H]1CC ZINC000180419940 509917167 /nfs/dbraw/zinc/91/71/67/509917167.db2.gz MGNSYYTUDBPGQL-LJQANCHMSA-N 1 1 355.482 2.815 10 30 FFEEMO CCOCC[N@H+]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@H]1CC ZINC000180419940 509917175 /nfs/dbraw/zinc/91/71/75/509917175.db2.gz MGNSYYTUDBPGQL-LJQANCHMSA-N 1 1 355.482 2.815 10 30 FFEEMO COc1cnccc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000187008735 510002511 /nfs/dbraw/zinc/00/25/11/510002511.db2.gz KZMIQERVCDCQBN-RDTXWAMCSA-N 1 1 350.422 2.808 10 30 FFEEMO C=CCNc1ncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000245987451 510239588 /nfs/dbraw/zinc/23/95/88/510239588.db2.gz KLWUUBYZCSADMN-GOEBONIOSA-N 1 1 371.510 2.776 10 30 FFEEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000246080270 510280079 /nfs/dbraw/zinc/28/00/79/510280079.db2.gz HVUJIRJUDDMQNF-AAEUAGOBSA-N 1 1 350.369 2.860 10 30 FFEEMO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3cccc(CC#N)c3)CC2)cn1 ZINC000171818176 510388766 /nfs/dbraw/zinc/38/87/66/510388766.db2.gz LFBNRVNYKIIWLG-UHFFFAOYSA-N 1 1 365.481 2.707 10 30 FFEEMO CCCn1cc(C[N@H+]2CCCN(C(=O)c3cccc(CC#N)c3)CC2)cn1 ZINC000171818176 510388774 /nfs/dbraw/zinc/38/87/74/510388774.db2.gz LFBNRVNYKIIWLG-UHFFFAOYSA-N 1 1 365.481 2.707 10 30 FFEEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(C#N)ccc1OCCOC ZINC000184609132 510415026 /nfs/dbraw/zinc/41/50/26/510415026.db2.gz YHQYLAMSNPGEOA-MRXNPFEDSA-N 1 1 360.458 2.531 10 30 FFEEMO N#Cc1c(NC(=O)CCN2CC[N@H+]3CCC[C@H]3C2)sc2c1CCCC2 ZINC000246575943 510565742 /nfs/dbraw/zinc/56/57/42/510565742.db2.gz RUIAWZKSIQQHHS-AWEZNQCLSA-N 1 1 358.511 2.607 10 30 FFEEMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246605414 510580010 /nfs/dbraw/zinc/58/00/10/510580010.db2.gz JFOKAKKOPQXDOF-ULRHQZHYSA-N 1 1 370.497 2.854 10 30 FFEEMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246605414 510580015 /nfs/dbraw/zinc/58/00/15/510580015.db2.gz JFOKAKKOPQXDOF-ULRHQZHYSA-N 1 1 370.497 2.854 10 30 FFEEMO C[C@@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)C[C@H]1[NH+]1CCOCC1 ZINC000246637048 510596008 /nfs/dbraw/zinc/59/60/08/510596008.db2.gz ZDYXTMNCADMTSK-SJKOYZFVSA-N 1 1 358.392 2.542 10 30 FFEEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000247085005 510829257 /nfs/dbraw/zinc/82/92/57/510829257.db2.gz HYEAJEKYKRCIGM-GJZGRUSLSA-N 1 1 372.538 2.996 10 30 FFEEMO Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@@H]2CCCC(F)(F)C2)CCC[N@H+]1C ZINC000329062788 511975625 /nfs/dbraw/zinc/97/56/25/511975625.db2.gz OAMZPHRHEYMJNY-SQWLQELKSA-N 1 1 369.460 2.885 10 30 FFEEMO C[C@H]1CCSCCN1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000329409816 512040248 /nfs/dbraw/zinc/04/02/48/512040248.db2.gz BQRZRULVBSLOEU-YQQAZPJKSA-N 1 1 365.547 2.544 10 30 FFEEMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000329605121 512076563 /nfs/dbraw/zinc/07/65/63/512076563.db2.gz LZHVHFSJMGYUPT-ROUUACIJSA-N 1 1 370.497 2.907 10 30 FFEEMO CC(=O)N[C@]1(c2nc(C)cs2)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000548337701 516912601 /nfs/dbraw/zinc/91/26/01/516912601.db2.gz RCGHVCPHLSFEII-GOSISDBHSA-N 1 1 358.442 2.700 10 30 FFEEMO CC(=O)N[C@]1(c2nc(C)cs2)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000548337701 516912610 /nfs/dbraw/zinc/91/26/10/516912610.db2.gz RCGHVCPHLSFEII-GOSISDBHSA-N 1 1 358.442 2.700 10 30 FFEEMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)Nc2ccccn2)[C@@H]1c1cnn(C)c1 ZINC000328620960 521614302 /nfs/dbraw/zinc/61/43/02/521614302.db2.gz HMLDXEFXMROULA-MAUKXSAKSA-N 1 1 356.474 2.766 10 30 FFEEMO C[C@@H](O)C[NH+]1CCN(C(=O)Nc2ncc(C3CCCCC3)s2)CC1 ZINC000328982338 729796038 /nfs/dbraw/zinc/79/60/38/729796038.db2.gz SBJGWCCZUDGYBY-CYBMUJFWSA-N 1 1 352.504 2.735 10 30 FFEEMO Cc1cnc([C@H](C)NC(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000329299383 729797017 /nfs/dbraw/zinc/79/70/17/729797017.db2.gz VBQXOKHFASNNCE-XUWVNRHRSA-N 1 1 350.463 2.532 10 30 FFEEMO Cc1cnc([C@H](C)NC(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000329299383 729797019 /nfs/dbraw/zinc/79/70/19/729797019.db2.gz VBQXOKHFASNNCE-XUWVNRHRSA-N 1 1 350.463 2.532 10 30 FFEEMO C=C[C@H]1C[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC ZINC000014710237 210145867 /nfs/dbraw/zinc/14/58/67/210145867.db2.gz JGKCGXVOATXMRM-UHEFJODHSA-N 1 1 354.450 2.671 10 30 biogenic FFEEMO C=C[C@H]1C[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC ZINC000014710237 210145872 /nfs/dbraw/zinc/14/58/72/210145872.db2.gz JGKCGXVOATXMRM-UHEFJODHSA-N 1 1 354.450 2.671 10 30 biogenic FFEEMO CCOCC[N@H+]1CCN(c2ccc(Br)cc2C#N)C[C@@H]1C ZINC000302162826 258092204 /nfs/dbraw/zinc/09/22/04/258092204.db2.gz KDUSDEAUTBJUES-ZDUSSCGKSA-N 1 1 352.276 2.868 10 30 FFEEMO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)CCCCC1 ZINC000076075520 508156307 /nfs/dbraw/zinc/15/63/07/508156307.db2.gz MLHVRUAKMBEKRO-MOPGFXCFSA-N 1 1 355.482 2.917 10 30 FFEEMO C=CCOc1ccccc1CNC(=O)N1CC[N@@H+](CCOC)[C@H](CC)C1 ZINC000117495619 508602764 /nfs/dbraw/zinc/60/27/64/508602764.db2.gz KAZYMZHTYZGCQV-GOSISDBHSA-N 1 1 361.486 2.504 10 30 FFEEMO CC[C@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C[C@@H](C)O ZINC000159916983 508911264 /nfs/dbraw/zinc/91/12/64/508911264.db2.gz VAPJTPMGVNKCLY-WBVHZDCISA-N 1 1 370.415 2.714 10 30 FFEEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1cnn(-c2ncccc2C#N)c1 ZINC000248400591 509297220 /nfs/dbraw/zinc/29/72/20/509297220.db2.gz QIVBRUFQQOGLMO-OXJNMPFZSA-N 1 1 373.464 2.856 10 30 FFEEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000176846478 509722760 /nfs/dbraw/zinc/72/27/60/509722760.db2.gz PLAMMOSRMJTSGB-MJGOQNOKSA-N 1 1 369.513 2.509 10 30 FFEEMO CCOCC[N@@H+]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@@H]1CC ZINC000180419957 509916444 /nfs/dbraw/zinc/91/64/44/509916444.db2.gz MGNSYYTUDBPGQL-IBGZPJMESA-N 1 1 355.482 2.815 10 30 FFEEMO CCOCC[N@H+]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@@H]1CC ZINC000180419957 509916451 /nfs/dbraw/zinc/91/64/51/509916451.db2.gz MGNSYYTUDBPGQL-IBGZPJMESA-N 1 1 355.482 2.815 10 30 FFEEMO N#Cc1cccc(OCc2ccoc2C(=O)N2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000171089962 509934442 /nfs/dbraw/zinc/93/44/42/509934442.db2.gz JVEYPJCVEXGVKB-KRWDZBQOSA-N 1 1 351.406 2.650 10 30 FFEEMO CC[C@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)CC[N@H+]1CCOC ZINC000174737421 510280898 /nfs/dbraw/zinc/28/08/98/510280898.db2.gz UQJRLRBJUREETP-HNNXBMFYSA-N 1 1 360.408 2.932 10 30 FFEEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000246125105 510307835 /nfs/dbraw/zinc/30/78/35/510307835.db2.gz BORUYXUSSRIHAC-FZKQIMNGSA-N 1 1 370.403 2.872 10 30 FFEEMO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171899800 510438121 /nfs/dbraw/zinc/43/81/21/510438121.db2.gz LWYIXVROPWNUBX-MRXNPFEDSA-N 1 1 351.372 2.547 10 30 FFEEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccccc1SCC#N ZINC000175035494 510452148 /nfs/dbraw/zinc/45/21/48/510452148.db2.gz KMFQRDLUNBWABU-JKSUJKDBSA-N 1 1 358.511 2.799 10 30 FFEEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000172242423 510618869 /nfs/dbraw/zinc/61/88/69/510618869.db2.gz ROUZCHCPANIJQA-WMLDXEAASA-N 1 1 365.399 2.935 10 30 FFEEMO CCn1cc(C[N@@H+]2CCCN(C(=O)Nc3cccc(C#N)c3C)CC2)cn1 ZINC000178573228 510670073 /nfs/dbraw/zinc/67/00/73/510670073.db2.gz RVZOCPURGSGRBT-UHFFFAOYSA-N 1 1 366.469 2.823 10 30 FFEEMO CCn1cc(C[N@H+]2CCCN(C(=O)Nc3cccc(C#N)c3C)CC2)cn1 ZINC000178573228 510670078 /nfs/dbraw/zinc/67/00/78/510670078.db2.gz RVZOCPURGSGRBT-UHFFFAOYSA-N 1 1 366.469 2.823 10 30 FFEEMO CCn1cc([C@H]2C[N@H+](Cc3ccc(N(C)CCC#N)cc3)CCO2)cn1 ZINC000191708155 510795076 /nfs/dbraw/zinc/79/50/76/510795076.db2.gz GXTVIDOMBAWOGR-HXUWFJFHSA-N 1 1 353.470 2.826 10 30 FFEEMO CCn1cc([C@H]2C[N@@H+](Cc3ccc(N(C)CCC#N)cc3)CCO2)cn1 ZINC000191708155 510795084 /nfs/dbraw/zinc/79/50/84/510795084.db2.gz GXTVIDOMBAWOGR-HXUWFJFHSA-N 1 1 353.470 2.826 10 30 FFEEMO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000330328782 510964377 /nfs/dbraw/zinc/96/43/77/510964377.db2.gz LYCBNEJCRQYLGV-FYQPLNBISA-N 1 1 374.529 2.981 10 30 FFEEMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2[C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000281417316 511839624 /nfs/dbraw/zinc/83/96/24/511839624.db2.gz ONSZRUPQEKDHFK-DEORAPPZSA-N 1 1 373.522 2.987 10 30 FFEEMO O=C(C[C@@H]1CCCCNC1=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000328854267 511941225 /nfs/dbraw/zinc/94/12/25/511941225.db2.gz JMUCPBKPJDXYNB-MAUKXSAKSA-N 1 1 359.470 2.856 10 30 FFEEMO Cc1cnn([C@@H]2CCC[N@H+](CC(=O)NC[C@H]3COc4ccccc4O3)C2)c1 ZINC000329194873 512003006 /nfs/dbraw/zinc/00/30/06/512003006.db2.gz UYDUIYXIXMHDSN-SJORKVTESA-N 1 1 370.453 2.625 10 30 FFEEMO Cc1cnn([C@@H]2CCC[N@@H+](CC(=O)NC[C@H]3COc4ccccc4O3)C2)c1 ZINC000329194873 512003011 /nfs/dbraw/zinc/00/30/11/512003011.db2.gz UYDUIYXIXMHDSN-SJORKVTESA-N 1 1 370.453 2.625 10 30 FFEEMO CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N1CC[NH+](C3CCCC3)CC1)C2 ZINC000329249776 512013733 /nfs/dbraw/zinc/01/37/33/512013733.db2.gz XGQVAFOPNSRVBQ-MRXNPFEDSA-N 1 1 373.545 2.970 10 30 FFEEMO C=CCn1c2ccccc2n(CN2CC[C@@H]([NH+]3CCOCC3)C2)c1=S ZINC000172962196 729037328 /nfs/dbraw/zinc/03/73/28/729037328.db2.gz GXBRTJYHFQNLPU-MRXNPFEDSA-N 1 1 358.511 2.722 10 30 FFEEMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CSCN1C(=O)C1CCC1 ZINC000329112983 729796367 /nfs/dbraw/zinc/79/63/67/729796367.db2.gz KZWPMKNNNUKPBM-IJEWVQPXSA-N 1 1 353.532 2.765 10 30 FFEEMO CN1CC[C@@H](C[N@@H+](C)CCOc2ccccc2C#N)[C@@H]1c1cccnc1 ZINC000328648978 210125173 /nfs/dbraw/zinc/12/51/73/210125173.db2.gz UVGWXIRVMZFDCZ-FPOVZHCZSA-N 1 1 350.466 2.957 10 30 FFEEMO N#Cc1ccc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c(Br)c1 ZINC000181112765 251243921 /nfs/dbraw/zinc/24/39/21/251243921.db2.gz KWWRBJQSJGCDDS-CQSZACIVSA-N 1 1 360.259 2.824 10 30 FFEEMO C[C@@H]1CN(c2c(C#N)cnc3ccc(Cl)cc32)C[C@H]1[NH+]1CCOCC1 ZINC000301568366 258056384 /nfs/dbraw/zinc/05/63/84/258056384.db2.gz LHLLBHTYOIDNKX-FZKQIMNGSA-N 1 1 356.857 2.917 10 30 FFEEMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C[C@H]3CCCCNC3=O)CC2)cc1 ZINC000328783858 258120554 /nfs/dbraw/zinc/12/05/54/258120554.db2.gz NQSDFXLCQULIMU-LJQANCHMSA-N 1 1 368.481 2.739 10 30 FFEEMO CCn1cc(C[N@@H+]2CCCN(C(=O)Nc3cccc(C#N)c3)CC2)cn1 ZINC000112713148 508214658 /nfs/dbraw/zinc/21/46/58/508214658.db2.gz WJNJLIIVPYQYPQ-UHFFFAOYSA-N 1 1 352.442 2.514 10 30 FFEEMO CCn1cc(C[N@H+]2CCCN(C(=O)Nc3cccc(C#N)c3)CC2)cn1 ZINC000112713148 508214662 /nfs/dbraw/zinc/21/46/62/508214662.db2.gz WJNJLIIVPYQYPQ-UHFFFAOYSA-N 1 1 352.442 2.514 10 30 FFEEMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000102928832 508290029 /nfs/dbraw/zinc/29/00/29/508290029.db2.gz OXUBGAQAUVGHNQ-PKOBYXMFSA-N 1 1 366.417 2.864 10 30 FFEEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccccc1OCC#N ZINC000116250806 508491846 /nfs/dbraw/zinc/49/18/46/508491846.db2.gz ZQSGIHVWSIKRPQ-LPHOPBHVSA-N 1 1 364.449 2.624 10 30 FFEEMO Cc1ccc(N2CCC(NC(=O)[C@H](C)Oc3ccccc3C#N)CC2)[nH+]c1 ZINC000157860466 508623355 /nfs/dbraw/zinc/62/33/55/508623355.db2.gz XZVOPMSRNCHVQA-INIZCTEOSA-N 1 1 364.449 2.814 10 30 FFEEMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000157979990 508640867 /nfs/dbraw/zinc/64/08/67/508640867.db2.gz XOKAIEMNVILMIT-SFHVURJKSA-N 1 1 369.469 2.566 10 30 FFEEMO Cn1cc(CN2CCC[N@@H+](Cc3cccc(OCCCC#N)c3)CC2)cn1 ZINC000121558847 509178497 /nfs/dbraw/zinc/17/84/97/509178497.db2.gz JIPKKHOQGNNYQA-UHFFFAOYSA-N 1 1 367.497 2.811 10 30 FFEEMO Cn1cc(C[N@@H+]2CCCN(Cc3cccc(OCCCC#N)c3)CC2)cn1 ZINC000121558847 509178498 /nfs/dbraw/zinc/17/84/98/509178498.db2.gz JIPKKHOQGNNYQA-UHFFFAOYSA-N 1 1 367.497 2.811 10 30 FFEEMO Cn1cc(C[N@H+]2CCCN(Cc3cccc(OCCCC#N)c3)CC2)cn1 ZINC000121558847 509178499 /nfs/dbraw/zinc/17/84/99/509178499.db2.gz JIPKKHOQGNNYQA-UHFFFAOYSA-N 1 1 367.497 2.811 10 30 FFEEMO C[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000191871991 509224267 /nfs/dbraw/zinc/22/42/67/509224267.db2.gz XLBRDUUVUPGCBA-UHFFFAOYSA-N 1 1 372.469 2.828 10 30 FFEEMO C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000191871991 509224272 /nfs/dbraw/zinc/22/42/72/509224272.db2.gz XLBRDUUVUPGCBA-UHFFFAOYSA-N 1 1 372.469 2.828 10 30 FFEEMO C[N@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000192159474 509381243 /nfs/dbraw/zinc/38/12/43/509381243.db2.gz AXCALSVMPXENPN-SFHVURJKSA-N 1 1 371.481 2.826 10 30 FFEEMO C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000192159474 509381245 /nfs/dbraw/zinc/38/12/45/509381245.db2.gz AXCALSVMPXENPN-SFHVURJKSA-N 1 1 371.481 2.826 10 30 FFEEMO C#CCCCCNC(=O)N1CCC[C@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000190131383 509956145 /nfs/dbraw/zinc/95/61/45/509956145.db2.gz JXAKDKIBWXGBFO-KRWDZBQOSA-N 1 1 365.518 2.628 10 30 FFEEMO C#CCCCCNC(=O)N1CCC[C@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000190131383 509956149 /nfs/dbraw/zinc/95/61/49/509956149.db2.gz JXAKDKIBWXGBFO-KRWDZBQOSA-N 1 1 365.518 2.628 10 30 FFEEMO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@@]4(O)CCCC[C@H]4C3)C2=O)cc1 ZINC000245520642 509982445 /nfs/dbraw/zinc/98/24/45/509982445.db2.gz JZCDOXAFERUHDT-CUWPLCDZSA-N 1 1 353.466 2.681 10 30 FFEEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(c2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000190449475 510137881 /nfs/dbraw/zinc/13/78/81/510137881.db2.gz VBLLNFXEBVWPSO-QGZVFWFLSA-N 1 1 351.410 2.820 10 30 FFEEMO C[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1N1CCOCC1 ZINC000246356257 510444526 /nfs/dbraw/zinc/44/45/26/510444526.db2.gz GHRKQFLEBVAUDE-CRAIPNDOSA-N 1 1 352.400 2.709 10 30 FFEEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccccc1SCC#N ZINC000175035474 510451919 /nfs/dbraw/zinc/45/19/19/510451919.db2.gz KMFQRDLUNBWABU-HZPDHXFCSA-N 1 1 358.511 2.799 10 30 FFEEMO CCOc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](CCOC)[C@@H](CC)C1 ZINC000172314637 510663101 /nfs/dbraw/zinc/66/31/01/510663101.db2.gz PIKZUNJCXFZKKC-INIZCTEOSA-N 1 1 360.458 2.531 10 30 FFEEMO CCOc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](CCOC)[C@H](CC)C1 ZINC000172314635 510663135 /nfs/dbraw/zinc/66/31/35/510663135.db2.gz PIKZUNJCXFZKKC-MRXNPFEDSA-N 1 1 360.458 2.531 10 30 FFEEMO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000246919698 510745863 /nfs/dbraw/zinc/74/58/63/510745863.db2.gz MXNQCYZJEDWAMP-KXBFYZLASA-N 1 1 359.495 2.868 10 30 FFEEMO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000246919698 510745869 /nfs/dbraw/zinc/74/58/69/510745869.db2.gz MXNQCYZJEDWAMP-KXBFYZLASA-N 1 1 359.495 2.868 10 30 FFEEMO CC(=O)N(Cc1cncnc1)[C@H]1CCC[N@@H+](Cc2cc(C#N)cs2)CC1 ZINC000328656193 511909292 /nfs/dbraw/zinc/90/92/92/511909292.db2.gz ZCHJMSREIOCKNE-SFHVURJKSA-N 1 1 369.494 2.813 10 30 FFEEMO C[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](CCO)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000328851120 511941025 /nfs/dbraw/zinc/94/10/25/511941025.db2.gz UXGCNNHJWOJQNB-COXVUDFISA-N 1 1 351.878 2.704 10 30 FFEEMO C[N@H+]1CC[C@H](NC(=O)N2CC[C@H](CCO)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000328851120 511941028 /nfs/dbraw/zinc/94/10/28/511941028.db2.gz UXGCNNHJWOJQNB-COXVUDFISA-N 1 1 351.878 2.704 10 30 FFEEMO O=C(CC[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)N[C@H]1CCCc2ccccc21 ZINC000329197011 512001908 /nfs/dbraw/zinc/00/19/08/512001908.db2.gz VAUJRXHSAVMCEB-RYQLBKOJSA-N 1 1 362.495 2.530 10 30 FFEEMO O=C(CC[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)N[C@H]1CCCc2ccccc21 ZINC000329197011 512001913 /nfs/dbraw/zinc/00/19/13/512001913.db2.gz VAUJRXHSAVMCEB-RYQLBKOJSA-N 1 1 362.495 2.530 10 30 FFEEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000329380745 512036988 /nfs/dbraw/zinc/03/69/88/512036988.db2.gz NRCWSMPLFALERI-APWZRJJASA-N 1 1 370.497 2.639 10 30 FFEEMO Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC(C)(C)[C@@H]2C2CC2)CCC[N@H+]1C ZINC000329555535 512068583 /nfs/dbraw/zinc/06/85/83/512068583.db2.gz BMYASLRSIDPJDN-JQHSSLGASA-N 1 1 359.518 2.837 10 30 FFEEMO Cc1nc(C[C@@H]2CCCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)no1 ZINC000329815626 512101446 /nfs/dbraw/zinc/10/14/46/512101446.db2.gz VJTXRIAKVSFMPQ-XYTVBORESA-N 1 1 361.490 2.562 10 30 FFEEMO N#CCSCC(=O)OC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000110120693 728530724 /nfs/dbraw/zinc/53/07/24/728530724.db2.gz XKECSQXWVFZHGM-CYBMUJFWSA-N 1 1 354.422 2.977 10 30 FFEEMO Cn1ncc2c1CCC[C@@H]2[NH+]=C([O-])N[C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329260361 967589127 /nfs/dbraw/zinc/58/91/27/967589127.db2.gz FPGKVYXEINPFFP-HIFRSBDPSA-N 1 1 370.501 2.810 10 30 FFEEMO N#Cc1ccccc1OC1CCC(NC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329290164 967624257 /nfs/dbraw/zinc/62/42/57/967624257.db2.gz IIBCKCSOVJTQHO-HFCFLWKCSA-N 1 1 368.481 2.989 10 30 FFEEMO Cc1nc(C[C@H]2CCC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)no1 ZINC000103150236 250136623 /nfs/dbraw/zinc/13/66/23/250136623.db2.gz UALNZBQARDQSOR-MRXNPFEDSA-N 1 1 353.426 2.533 10 30 FFEEMO CC(C)c1nc2c(n1C)CC[N@@H+](CCC(=O)Nc1ccccc1C#N)C2 ZINC000106861021 250293861 /nfs/dbraw/zinc/29/38/61/250293861.db2.gz DPJPUSYQTSXEHK-UHFFFAOYSA-N 1 1 351.454 2.802 10 30 FFEEMO Cc1cc(C)c2ncc(C#N)c(N3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)c2c1 ZINC000301535100 258054293 /nfs/dbraw/zinc/05/42/93/258054293.db2.gz AGMDYODLVQOPDE-QFBILLFUSA-N 1 1 350.466 2.880 10 30 FFEEMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000109814725 507989333 /nfs/dbraw/zinc/98/93/33/507989333.db2.gz KTBMUYVPVJRUPX-LJQANCHMSA-N 1 1 362.433 2.624 10 30 FFEEMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116315053 508498285 /nfs/dbraw/zinc/49/82/85/508498285.db2.gz PMAMTIPGOYDNLT-SFHVURJKSA-N 1 1 365.481 2.773 10 30 FFEEMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116315053 508498287 /nfs/dbraw/zinc/49/82/87/508498287.db2.gz PMAMTIPGOYDNLT-SFHVURJKSA-N 1 1 365.481 2.773 10 30 FFEEMO Cn1cc([C@@H]2CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)cn1 ZINC000116316011 508498590 /nfs/dbraw/zinc/49/85/90/508498590.db2.gz WXORZHLOYCBBRE-CYBMUJFWSA-N 1 1 369.494 2.660 10 30 FFEEMO CCCn1cc(C[N@@H+]2CCCN(c3nc(C)cc(C)c3C#N)CC2)cn1 ZINC000151953052 509117069 /nfs/dbraw/zinc/11/70/69/509117069.db2.gz XQAIVSDOQTZTNN-UHFFFAOYSA-N 1 1 352.486 2.889 10 30 FFEEMO CCCn1cc(C[N@H+]2CCCN(c3nc(C)cc(C)c3C#N)CC2)cn1 ZINC000151953052 509117072 /nfs/dbraw/zinc/11/70/72/509117072.db2.gz XQAIVSDOQTZTNN-UHFFFAOYSA-N 1 1 352.486 2.889 10 30 FFEEMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173320067 509529913 /nfs/dbraw/zinc/52/99/13/509529913.db2.gz WDVFUOJYRBETNT-VQIMIIECSA-N 1 1 351.454 2.892 10 30 FFEEMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000173320067 509529921 /nfs/dbraw/zinc/52/99/21/509529921.db2.gz WDVFUOJYRBETNT-VQIMIIECSA-N 1 1 351.454 2.892 10 30 FFEEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000176906753 509757946 /nfs/dbraw/zinc/75/79/46/509757946.db2.gz KLQMBMJGZBJNGM-OAHLLOKOSA-N 1 1 374.510 2.574 10 30 FFEEMO N#Cc1cccc(OCc2ccoc2C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000171089957 509934996 /nfs/dbraw/zinc/93/49/96/509934996.db2.gz JVEYPJCVEXGVKB-QGZVFWFLSA-N 1 1 351.406 2.650 10 30 FFEEMO CCOCC[N@@H+]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C[C@@H]1CC ZINC000187068957 510037661 /nfs/dbraw/zinc/03/76/61/510037661.db2.gz QZVAAVAHCSNNBG-IBGZPJMESA-N 1 1 355.482 2.549 10 30 FFEEMO CCOCC[N@H+]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C[C@@H]1CC ZINC000187068957 510037671 /nfs/dbraw/zinc/03/76/71/510037671.db2.gz QZVAAVAHCSNNBG-IBGZPJMESA-N 1 1 355.482 2.549 10 30 FFEEMO COc1ccc(C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1OCCCC#N ZINC000245724296 510108762 /nfs/dbraw/zinc/10/87/62/510108762.db2.gz IOAJGBDBLCHOQV-IEBWSBKVSA-N 1 1 373.497 2.530 10 30 FFEEMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(C#N)c2)C1 ZINC000190551931 510200986 /nfs/dbraw/zinc/20/09/86/510200986.db2.gz OMSFDDAACCVMHB-MRXNPFEDSA-N 1 1 354.479 2.917 10 30 FFEEMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)Cc2ccc(C#N)cc2)C1 ZINC000190562355 510207802 /nfs/dbraw/zinc/20/78/02/510207802.db2.gz QGZBKQSLBHZJHW-GOSISDBHSA-N 1 1 368.506 2.846 10 30 FFEEMO CC[N@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000177708509 510210587 /nfs/dbraw/zinc/21/05/87/510210587.db2.gz MQRHNGZBSMZZHD-QFBILLFUSA-N 1 1 360.477 2.877 10 30 FFEEMO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1Cl ZINC000171646704 510275947 /nfs/dbraw/zinc/27/59/47/510275947.db2.gz RIMVPYKGQWDZBW-CQSZACIVSA-N 1 1 369.856 2.979 10 30 FFEEMO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](CNc3ccccn3)C2)cc1Cl ZINC000171646704 510275953 /nfs/dbraw/zinc/27/59/53/510275953.db2.gz RIMVPYKGQWDZBW-CQSZACIVSA-N 1 1 369.856 2.979 10 30 FFEEMO C=CCOc1ccc(C[N@H+](C[C@@H](O)CN2CCCC2=O)C(C)(C)C)cc1 ZINC000177976886 510355815 /nfs/dbraw/zinc/35/58/15/510355815.db2.gz AMATWDQPKXWKJJ-SFHVURJKSA-N 1 1 360.498 2.835 10 30 FFEEMO C=CCn1c(C)cc(C(=O)CN2CCCC[C@H]([NH+]3CCN(C)CC3)C2)c1C ZINC000174889180 510368684 /nfs/dbraw/zinc/36/86/84/510368684.db2.gz ZJEFPYVSTUGRDS-FQEVSTJZSA-N 1 1 372.557 2.576 10 30 FFEEMO Cc1nc2n(n1)CCC[C@H]2[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000182006962 510704441 /nfs/dbraw/zinc/70/44/41/510704441.db2.gz ZJFYJCJXPHXLHL-LJQANCHMSA-N 1 1 350.470 2.547 10 30 FFEEMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247002112 510792887 /nfs/dbraw/zinc/79/28/87/510792887.db2.gz PREPIRVKBSFHJU-UBZDQLSFSA-N 1 1 361.530 2.933 10 30 FFEEMO Cc1nc(C)n(C[C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)n1 ZINC000247593534 510866850 /nfs/dbraw/zinc/86/68/50/510866850.db2.gz JWSMUYHXUUVKEY-PBHICJAKSA-N 1 1 366.469 2.506 10 30 FFEEMO C[C@H](NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1cccnc1 ZINC000330282411 510957419 /nfs/dbraw/zinc/95/74/19/510957419.db2.gz AOTCMCDVGSNNKD-VDZJLULYSA-N 1 1 370.501 2.805 10 30 FFEEMO Cc1cn2c(n1)[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)CCC2 ZINC000328698235 511916642 /nfs/dbraw/zinc/91/66/42/511916642.db2.gz HLTNIMSTAWRNMV-OALUTQOASA-N 1 1 367.497 2.972 10 30 FFEEMO Cc1cn2c(n1)[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)CCC2 ZINC000328698235 511916648 /nfs/dbraw/zinc/91/66/48/511916648.db2.gz HLTNIMSTAWRNMV-OALUTQOASA-N 1 1 367.497 2.972 10 30 FFEEMO Cc1nc2sccn2c(=O)c1CC[N@@H+]1CCC[C@H](NC(=O)C(C)C)C1 ZINC000329085133 511979682 /nfs/dbraw/zinc/97/96/82/511979682.db2.gz UEWQNYCVUUGXJN-AWEZNQCLSA-N 1 1 362.499 2.684 10 30 FFEEMO CNC(=O)[C@H]1C[N@@H+](C[C@@H]2CCC3(CCCCC3)O2)C[C@@H]1c1cnn(C)c1 ZINC000329146386 511992233 /nfs/dbraw/zinc/99/22/33/511992233.db2.gz XFWUSFFZMPUCAK-KSZLIROESA-N 1 1 360.502 2.904 10 30 FFEEMO Cn1nccc1[C@H]1[C@H](CNC(=O)N2C[C@@H]3CCCC[C@H]3C2)CCC[N@H+]1C ZINC000329490785 512057213 /nfs/dbraw/zinc/05/72/13/512057213.db2.gz SPKKEQQSSGBXAU-LSTDLKDCSA-N 1 1 359.518 2.839 10 30 FFEEMO O=C(C[C@@H]1CCCCNC1=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000329815548 512100536 /nfs/dbraw/zinc/10/05/36/512100536.db2.gz DNTRYHWTCTWVKI-FUHWJXTLSA-N 1 1 359.470 2.509 10 30 FFEEMO Cn1cncc1[C@H]1[C@H](C[N@@H+](C)Cc2ccc(C#N)cc2F)CCCN1C ZINC000585794897 518601820 /nfs/dbraw/zinc/60/18/20/518601820.db2.gz XLNMQOKVFRFXBE-FXAWDEMLSA-N 1 1 355.461 2.946 10 30 FFEEMO CN(Cc1ccc(C#N)cc1F)C[C@@H]1CCC[N@H+](C)[C@H]1c1cncn1C ZINC000585794897 518601828 /nfs/dbraw/zinc/60/18/28/518601828.db2.gz XLNMQOKVFRFXBE-FXAWDEMLSA-N 1 1 355.461 2.946 10 30 FFEEMO CN(Cc1ccc(C#N)cc1F)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cncn1C ZINC000585794897 518601835 /nfs/dbraw/zinc/60/18/35/518601835.db2.gz XLNMQOKVFRFXBE-FXAWDEMLSA-N 1 1 355.461 2.946 10 30 FFEEMO CCn1nc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c(=O)c2ccccc21 ZINC000329404373 967681517 /nfs/dbraw/zinc/68/15/17/967681517.db2.gz BNHKIYKSVSSLPG-AWEZNQCLSA-N 1 1 354.454 2.738 10 30 FFEEMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCCN(c2ccc(C)nn2)C1 ZINC000329614592 967862666 /nfs/dbraw/zinc/86/26/66/967862666.db2.gz SCIDBEDPVNLLAT-ZWKOTPCHSA-N 1 1 374.533 2.522 10 30 FFEEMO C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccncc1 ZINC000043185237 210188057 /nfs/dbraw/zinc/18/80/57/210188057.db2.gz XIHDYOFRMVSBAC-QGZVFWFLSA-N 1 1 363.465 2.932 10 30 FFEEMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000106174579 250248381 /nfs/dbraw/zinc/24/83/81/250248381.db2.gz XCZJEVUJBXMYNY-KBPBESRZSA-N 1 1 372.860 2.542 10 30 FFEEMO CCc1nccn1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000106214437 250254852 /nfs/dbraw/zinc/25/48/52/250254852.db2.gz QNGRVGJNFHBGFA-KRWDZBQOSA-N 1 1 351.454 2.983 10 30 FFEEMO Cc1cc(Cl)c2ncc(C#N)c(N3CC[C@@H]4OCC[N@H+](C)[C@@H]4C3)c2c1 ZINC000329001237 258126428 /nfs/dbraw/zinc/12/64/28/258126428.db2.gz VVYMFHJVLWHZLE-SJORKVTESA-N 1 1 356.857 2.978 10 30 FFEEMO Cc1cc(F)cc2c1ncc(C#N)c2N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000329734930 258146070 /nfs/dbraw/zinc/14/60/70/258146070.db2.gz RSMRLWBSFJYSEV-RDTXWAMCSA-N 1 1 354.429 2.853 10 30 FFEEMO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000066437732 506518254 /nfs/dbraw/zinc/51/82/54/506518254.db2.gz ROGZPLZADFPBGR-LMMKCTJWSA-N 1 1 369.513 2.549 10 30 FFEEMO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000066437732 506518260 /nfs/dbraw/zinc/51/82/60/506518260.db2.gz ROGZPLZADFPBGR-LMMKCTJWSA-N 1 1 369.513 2.549 10 30 FFEEMO C=CCOc1ccc(CN2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1OC ZINC000092079472 508041657 /nfs/dbraw/zinc/04/16/57/508041657.db2.gz LDGRFYWJLQXJMO-QGZVFWFLSA-N 1 1 360.498 2.945 10 30 FFEEMO C=CCOc1ccc(C[NH+]2CCC(N3CCO[C@H](C)C3)CC2)cc1OC ZINC000092079472 508041660 /nfs/dbraw/zinc/04/16/60/508041660.db2.gz LDGRFYWJLQXJMO-QGZVFWFLSA-N 1 1 360.498 2.945 10 30 FFEEMO Cc1cccc(N2CCC(NS(=O)(=O)c3ccc(C#N)cc3C)CC2)[nH+]1 ZINC000077392357 508310537 /nfs/dbraw/zinc/31/05/37/508310537.db2.gz AUUDXGSKBIGMRR-UHFFFAOYSA-N 1 1 370.478 2.517 10 30 FFEEMO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2n[nH]c(C)n2)c2ccccc2)CC1 ZINC000106340778 508399655 /nfs/dbraw/zinc/39/96/55/508399655.db2.gz QBUFCVKULAEBIJ-GOSISDBHSA-N 1 1 368.485 2.542 10 30 FFEEMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000156753001 508471855 /nfs/dbraw/zinc/47/18/55/508471855.db2.gz WEYKYIGITMVZGD-MRXNPFEDSA-N 1 1 364.371 2.940 10 30 FFEEMO Cc1nc(CN2CCC[N@H+](Cc3cnc4ccc(C#N)cn34)CC2)cs1 ZINC000157238841 508541374 /nfs/dbraw/zinc/54/13/74/508541374.db2.gz DBZJMNPYMOUJAK-UHFFFAOYSA-N 1 1 366.494 2.679 10 30 FFEEMO Cc1nc(CN2CCC[N@@H+](Cc3cnc4ccc(C#N)cn34)CC2)cs1 ZINC000157238841 508541378 /nfs/dbraw/zinc/54/13/78/508541378.db2.gz DBZJMNPYMOUJAK-UHFFFAOYSA-N 1 1 366.494 2.679 10 30 FFEEMO C[C@H](c1ccc(C#N)cc1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000118398537 508649512 /nfs/dbraw/zinc/64/95/12/508649512.db2.gz QBWHXVDATTVLIV-WIYYLYMNSA-N 1 1 365.477 2.677 10 30 FFEEMO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000118398537 508649516 /nfs/dbraw/zinc/64/95/16/508649516.db2.gz QBWHXVDATTVLIV-WIYYLYMNSA-N 1 1 365.477 2.677 10 30 FFEEMO COCC[N@H+]1CCN(Cc2ccc(OC)c(OCCCC#N)c2)C[C@@H]1C ZINC000120845536 509075340 /nfs/dbraw/zinc/07/53/40/509075340.db2.gz ZZKVJHFUGHUMMT-KRWDZBQOSA-N 1 1 361.486 2.530 10 30 FFEEMO CCc1noc([C@@H](C)N2CC[NH+](CCCOc3cccc(C#N)c3)CC2)n1 ZINC000156188304 509141612 /nfs/dbraw/zinc/14/16/12/509141612.db2.gz YUDDFAFUNIFVFR-MRXNPFEDSA-N 1 1 369.469 2.651 10 30 FFEEMO CN(CC(=O)OC(C)(C)C)C1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000191980166 509275450 /nfs/dbraw/zinc/27/54/50/509275450.db2.gz CLVGUYNCMZZUNE-UHFFFAOYSA-N 1 1 361.461 2.935 10 30 FFEEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1cnn(-c2ncccc2C#N)c1 ZINC000248400592 509297060 /nfs/dbraw/zinc/29/70/60/509297060.db2.gz QIVBRUFQQOGLMO-OXQOHEQNSA-N 1 1 373.464 2.856 10 30 FFEEMO N#Cc1ccccc1Cn1cccc1C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000189512136 509611474 /nfs/dbraw/zinc/61/14/74/509611474.db2.gz BBMXEDOGULSKJB-SFHVURJKSA-N 1 1 360.465 2.912 10 30 FFEEMO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000180022346 509713932 /nfs/dbraw/zinc/71/39/32/509713932.db2.gz SCCDHXVUYVFCPW-HOTGVXAUSA-N 1 1 372.469 2.694 10 30 FFEEMO CC[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@H+]1CCOC ZINC000180100641 509751495 /nfs/dbraw/zinc/75/14/95/509751495.db2.gz UYVGCLHBGLVJQL-FQEVSTJZSA-N 1 1 367.497 2.501 10 30 FFEEMO N#Cc1ccc(NC(=O)CC[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000188059529 510570660 /nfs/dbraw/zinc/57/06/60/510570660.db2.gz AWEFGZUCXZZMKR-WMZOPIPTSA-N 1 1 355.463 2.656 10 30 FFEEMO CC[N@H+]1CCC[C@@H]1CN(C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000175338545 510596399 /nfs/dbraw/zinc/59/63/99/510596399.db2.gz WKQXTKCRMLEFLV-LJQANCHMSA-N 1 1 356.514 2.966 10 30 FFEEMO N#Cc1ccsc1N1CC[C@H](N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000247065370 510823775 /nfs/dbraw/zinc/82/37/75/510823775.db2.gz ZZOUEGQNZIQMIH-NJAFHUGGSA-N 1 1 370.522 2.674 10 30 FFEEMO CC[C@H]1CN(Cc2cc(C#N)ccc2Br)CC[N@H+]1CCOC ZINC000191785001 510829054 /nfs/dbraw/zinc/82/90/54/510829054.db2.gz SAQDAHZXEGWAAO-INIZCTEOSA-N 1 1 366.303 2.863 10 30 FFEEMO C[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](CCO)C2)[C@H]1c1ccc(Cl)cc1 ZINC000328851123 511940675 /nfs/dbraw/zinc/94/06/75/511940675.db2.gz UXGCNNHJWOJQNB-XOKHGSTOSA-N 1 1 351.878 2.704 10 30 FFEEMO C[N@H+]1CC[C@H](NC(=O)N2CC[C@H](CCO)C2)[C@H]1c1ccc(Cl)cc1 ZINC000328851123 511940681 /nfs/dbraw/zinc/94/06/81/511940681.db2.gz UXGCNNHJWOJQNB-XOKHGSTOSA-N 1 1 351.878 2.704 10 30 FFEEMO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3n[nH]nc3C2)[C@H]1c1ccc(Cl)cc1 ZINC000328962030 511957522 /nfs/dbraw/zinc/95/75/22/511957522.db2.gz KYDKIZLBXCBNFA-ISTRZQFTSA-N 1 1 359.861 2.965 10 30 FFEEMO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3n[nH]nc3C2)[C@H]1c1ccc(Cl)cc1 ZINC000328962030 511957529 /nfs/dbraw/zinc/95/75/29/511957529.db2.gz KYDKIZLBXCBNFA-ISTRZQFTSA-N 1 1 359.861 2.965 10 30 FFEEMO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@@H](CCO)C1 ZINC000329636591 512080481 /nfs/dbraw/zinc/08/04/81/512080481.db2.gz YFOQHKOHQBQPRG-HNDBUQABSA-N 1 1 363.502 2.919 10 30 FFEEMO C[C@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CCC1(F)F ZINC000329702526 512088252 /nfs/dbraw/zinc/08/82/52/512088252.db2.gz HWYYNEYANHIACE-OFQRWUPVSA-N 1 1 369.460 2.694 10 30 FFEEMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000374177142 512694461 /nfs/dbraw/zinc/69/44/61/512694461.db2.gz VDRBVBAQRYYZRQ-FQBWVUSXSA-N 1 1 361.530 2.979 10 30 FFEEMO N#Cc1c(NC(=O)CC[N@H+]2C[C@H](F)C[C@H]2CO)sc2c1CCCCC2 ZINC000372514170 512911848 /nfs/dbraw/zinc/91/18/48/512911848.db2.gz MODURBGDRSOOEY-OLZOCXBDSA-N 1 1 365.474 2.622 10 30 FFEEMO N#Cc1c(NC(=O)CC[N@@H+]2C[C@H](F)C[C@H]2CO)sc2c1CCCCC2 ZINC000372514170 512911852 /nfs/dbraw/zinc/91/18/52/512911852.db2.gz MODURBGDRSOOEY-OLZOCXBDSA-N 1 1 365.474 2.622 10 30 FFEEMO CCN1CCN(c2ccc(CNC(=[NH2+])Nc3ccc(C)c(C)c3)cn2)CC1 ZINC000104165999 965985945 /nfs/dbraw/zinc/98/59/45/965985945.db2.gz DXZHTXSNMYOJAM-UHFFFAOYSA-N 1 1 366.513 2.767 10 30 FFEEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000329672302 967933095 /nfs/dbraw/zinc/93/30/95/967933095.db2.gz UMFLWBJMXADBCE-APWZRJJASA-N 1 1 370.497 2.960 10 30 FFEEMO CCOC(=O)/C(=N/Nc1cc(Cl)ccc1Cl)N1CC[NH+](CC)CC1 ZINC000012728914 220022594 /nfs/dbraw/zinc/02/25/94/220022594.db2.gz BGBYVELLXCYFBF-HKWRFOASSA-N 1 1 373.284 2.919 10 30 FFEEMO Cc1cc(N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)n2c3ccccc3nc2c1C#N ZINC000328955286 258124914 /nfs/dbraw/zinc/12/49/14/258124914.db2.gz NFRUUUUFMDQRNZ-MOPGFXCFSA-N 1 1 361.449 2.577 10 30 FFEEMO Cc1cccc(N(CCC#N)C(=O)CN2CCC[N@H+](C3CC3)CC2)c1C ZINC000061040826 507593066 /nfs/dbraw/zinc/59/30/66/507593066.db2.gz YONBDEYOGMDMQE-UHFFFAOYSA-N 1 1 354.498 2.720 10 30 FFEEMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000109814194 507989275 /nfs/dbraw/zinc/98/92/75/507989275.db2.gz XXFGHAXJNUWJIC-LJQANCHMSA-N 1 1 362.433 2.624 10 30 FFEEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccccc1OCC#N ZINC000116250804 508491783 /nfs/dbraw/zinc/49/17/83/508491783.db2.gz ZQSGIHVWSIKRPQ-APWZRJJASA-N 1 1 364.449 2.624 10 30 FFEEMO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000117437021 508598518 /nfs/dbraw/zinc/59/85/18/508598518.db2.gz XZCWZMBSROMDOR-ZDUSSCGKSA-N 1 1 350.850 2.786 10 30 FFEEMO CCOCC[N@H+]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000117437021 508598522 /nfs/dbraw/zinc/59/85/22/508598522.db2.gz XZCWZMBSROMDOR-ZDUSSCGKSA-N 1 1 350.850 2.786 10 30 FFEEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000119373588 508783405 /nfs/dbraw/zinc/78/34/05/508783405.db2.gz OMQNINMAMGSFDZ-GOSISDBHSA-N 1 1 370.497 2.904 10 30 FFEEMO CC[C@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@H+]1CCOC ZINC000159928873 508912567 /nfs/dbraw/zinc/91/25/67/508912567.db2.gz NQWCSUHVNCVCNV-KRWDZBQOSA-N 1 1 370.415 2.979 10 30 FFEEMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000120196974 508948228 /nfs/dbraw/zinc/94/82/28/508948228.db2.gz BXJUQEPJNGJBEJ-SJLPKXTDSA-N 1 1 351.454 2.868 10 30 FFEEMO C#CCCOc1ccc(C[N@@H+]2CCCN(Cc3cnn(C)c3)CC2)cc1 ZINC000121577516 509178884 /nfs/dbraw/zinc/17/88/84/509178884.db2.gz HLEAKLTWRRZRKN-UHFFFAOYSA-N 1 1 352.482 2.530 10 30 FFEEMO C#CCCOc1ccc(CN2CCC[N@@H+](Cc3cnn(C)c3)CC2)cc1 ZINC000121577516 509178885 /nfs/dbraw/zinc/17/88/85/509178885.db2.gz HLEAKLTWRRZRKN-UHFFFAOYSA-N 1 1 352.482 2.530 10 30 FFEEMO C#CCCOc1ccc(CN2CCC[N@H+](Cc3cnn(C)c3)CC2)cc1 ZINC000121577516 509178886 /nfs/dbraw/zinc/17/88/86/509178886.db2.gz HLEAKLTWRRZRKN-UHFFFAOYSA-N 1 1 352.482 2.530 10 30 FFEEMO C=CCc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc(OC)c1OC ZINC000248122544 509238811 /nfs/dbraw/zinc/23/88/11/509238811.db2.gz NOHSBWSDRXQYGL-SJLPKXTDSA-N 1 1 358.482 2.989 10 30 FFEEMO N#Cc1ccsc1NC(=O)CC[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249600693 509723339 /nfs/dbraw/zinc/72/33/39/509723339.db2.gz YCBLVVBRCADABF-GJZGRUSLSA-N 1 1 361.492 2.718 10 30 FFEEMO C=CC[C@H](C(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000186499378 509741354 /nfs/dbraw/zinc/74/13/54/509741354.db2.gz SKXPJWNJXDXAJT-VXKWHMMOSA-N 1 1 364.489 2.882 10 30 FFEEMO C[C@H]1C[N@H+](C2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)CCO1 ZINC000180358496 509885179 /nfs/dbraw/zinc/88/51/79/509885179.db2.gz HKPXMLXNIYFJMI-INIZCTEOSA-N 1 1 353.466 2.567 10 30 FFEEMO CC[N@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000245475056 509958012 /nfs/dbraw/zinc/95/80/12/509958012.db2.gz RMRBPWXWZHYJSD-ZIAGYGMSSA-N 1 1 360.527 2.852 10 30 FFEEMO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245528580 509985421 /nfs/dbraw/zinc/98/54/21/509985421.db2.gz QTGZGYMWFYIZTD-PMACEKPBSA-N 1 1 363.465 2.723 10 30 FFEEMO Cc1[nH+]ccn1C[C@H]1CCCN1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000177372471 510019512 /nfs/dbraw/zinc/01/95/12/510019512.db2.gz WCFLDUUDBHNGET-OAHLLOKOSA-N 1 1 357.483 2.845 10 30 FFEEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)CCc2ccc(C#N)cc2)C1 ZINC000190586791 510224019 /nfs/dbraw/zinc/22/40/19/510224019.db2.gz ORQHPUJMOHRJAK-NRFANRHFSA-N 1 1 362.477 2.866 10 30 FFEEMO C[C@H](NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(OCC#N)cc1 ZINC000182000249 510701448 /nfs/dbraw/zinc/70/14/48/510701448.db2.gz QEBJCOWZBJXQOU-UWJYYQICSA-N 1 1 365.477 2.659 10 30 FFEEMO C[C@H](NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(OCC#N)cc1 ZINC000182000249 510701454 /nfs/dbraw/zinc/70/14/54/510701454.db2.gz QEBJCOWZBJXQOU-UWJYYQICSA-N 1 1 365.477 2.659 10 30 FFEEMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000246921635 510748681 /nfs/dbraw/zinc/74/86/81/510748681.db2.gz HXRMYZWIHZXUCY-HZPDHXFCSA-N 1 1 369.444 2.684 10 30 FFEEMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247556264 510865525 /nfs/dbraw/zinc/86/55/25/510865525.db2.gz UDECUHOIIXQMJB-MUZJZNNISA-N 1 1 357.502 2.529 10 30 FFEEMO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000328813780 511935470 /nfs/dbraw/zinc/93/54/70/511935470.db2.gz BWVZDHYZXOMBAJ-SJORKVTESA-N 1 1 362.518 2.743 10 30 FFEEMO Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000328932088 511952691 /nfs/dbraw/zinc/95/26/91/511952691.db2.gz BLOFWCJQMFRKOG-XMTFNYHQSA-N 1 1 354.454 2.900 10 30 FFEEMO CN(CC1CC[NH+](C)CC1)C([O-])=[NH+][C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329188835 512000688 /nfs/dbraw/zinc/00/06/88/512000688.db2.gz BSRZOGNKHZYVPR-MRXNPFEDSA-N 1 1 361.534 2.683 10 30 FFEEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000329380747 512036521 /nfs/dbraw/zinc/03/65/21/512036521.db2.gz NRCWSMPLFALERI-LPHOPBHVSA-N 1 1 370.497 2.639 10 30 FFEEMO Cc1nc(C[C@H]2CCCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)no1 ZINC000329815625 512100945 /nfs/dbraw/zinc/10/09/45/512100945.db2.gz VJTXRIAKVSFMPQ-MGNMYUMUSA-N 1 1 361.490 2.562 10 30 FFEEMO Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000329852769 512104275 /nfs/dbraw/zinc/10/42/75/512104275.db2.gz RRSCVJJGKPFXTG-MRXNPFEDSA-N 1 1 356.470 2.622 10 30 FFEEMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1C[C@@H]3CC[C@@H](O)C[C@H]3C1)CCC2 ZINC000333094947 258249506 /nfs/dbraw/zinc/24/95/06/258249506.db2.gz CZAZCDXZNVDXNP-MELADBBJSA-N 1 1 359.495 2.530 10 30 FFEEMO N#Cc1c(NC(=O)C[N@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)sc2c1CCCCC2 ZINC000333197994 258255539 /nfs/dbraw/zinc/25/55/39/258255539.db2.gz WTAXPYNLSBQOOB-KKUMJFAQSA-N 1 1 373.522 2.920 10 30 FFEEMO N#Cc1c(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)sc2c1CCCCC2 ZINC000333197994 258255540 /nfs/dbraw/zinc/25/55/40/258255540.db2.gz WTAXPYNLSBQOOB-KKUMJFAQSA-N 1 1 373.522 2.920 10 30 FFEEMO N#Cc1cccc(N[C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2nccs2)C3)n1 ZINC000096073869 222012005 /nfs/dbraw/zinc/01/20/05/222012005.db2.gz XYZNDHJLOVVPHE-YJBOKZPZSA-N 1 1 355.467 2.645 10 30 FFEEMO N#Cc1cccc(N[C@@H]2CO[C@]3(C2)CCC[N@@H+](Cc2nccs2)C3)n1 ZINC000096073869 222012007 /nfs/dbraw/zinc/01/20/07/222012007.db2.gz XYZNDHJLOVVPHE-YJBOKZPZSA-N 1 1 355.467 2.645 10 30 FFEEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)/C=C/c1cccc(C#N)c1 ZINC000116243212 508490555 /nfs/dbraw/zinc/49/05/55/508490555.db2.gz HCOTVAWANGMHNM-NQLOOLMASA-N 1 1 360.461 2.993 10 30 FFEEMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116314111 508498551 /nfs/dbraw/zinc/49/85/51/508498551.db2.gz UDECUHOIIXQMJB-ASPXRTSYSA-N 1 1 357.502 2.529 10 30 FFEEMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000157742897 508605056 /nfs/dbraw/zinc/60/50/56/508605056.db2.gz OGJXJVOLBWTWOW-QGZVFWFLSA-N 1 1 352.438 2.775 10 30 FFEEMO C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000161400717 509111409 /nfs/dbraw/zinc/11/14/09/509111409.db2.gz CSGFXOWTWQAEAQ-GOSISDBHSA-N 1 1 358.486 2.844 10 30 FFEEMO C[N@@H+](CCCOc1cccc(C#N)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000156141490 509133693 /nfs/dbraw/zinc/13/36/93/509133693.db2.gz HRLSKBLGKXLKRJ-GOSISDBHSA-N 1 1 351.454 2.718 10 30 FFEEMO Cc1cc(C#N)ccc1C(=O)N1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191910133 509242106 /nfs/dbraw/zinc/24/21/06/509242106.db2.gz WNKWAMDDDXXSHL-UHFFFAOYSA-N 1 1 371.481 2.745 10 30 FFEEMO Cc1cc(C#N)ccc1C(=O)N1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191910133 509242115 /nfs/dbraw/zinc/24/21/15/509242115.db2.gz WNKWAMDDDXXSHL-UHFFFAOYSA-N 1 1 371.481 2.745 10 30 FFEEMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000248347738 509274835 /nfs/dbraw/zinc/27/48/35/509274835.db2.gz NTLIVCLBNRUABD-MSOLQXFVSA-N 1 1 370.497 2.500 10 30 FFEEMO C=CC[C@H](CO)NC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248593162 509381253 /nfs/dbraw/zinc/38/12/53/509381253.db2.gz RWIDAPCGCDDKMA-CPUCHLNUSA-N 1 1 369.868 2.708 10 30 FFEEMO Cc1nc(C[C@@H]2CCC[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)no1 ZINC000173645388 509695526 /nfs/dbraw/zinc/69/55/26/509695526.db2.gz DTFSQOKHRNMFOB-HNNXBMFYSA-N 1 1 364.409 2.754 10 30 FFEEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)no1 ZINC000173645388 509695529 /nfs/dbraw/zinc/69/55/29/509695529.db2.gz DTFSQOKHRNMFOB-HNNXBMFYSA-N 1 1 364.409 2.754 10 30 FFEEMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c(OC)c1 ZINC000249722962 509742229 /nfs/dbraw/zinc/74/22/29/509742229.db2.gz NVPGLDDEGFBSDJ-GUDVDZBRSA-N 1 1 361.482 2.807 10 30 FFEEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)Nc1ccccc1SCC#N ZINC000245425139 509921932 /nfs/dbraw/zinc/92/19/32/509921932.db2.gz KMFQRDLUNBWABU-CVEARBPZSA-N 1 1 358.511 2.799 10 30 FFEEMO Cc1nc(C[C@H]2CCC[N@@H+](CCC(=O)Nc3cccc(C#N)c3)C2)no1 ZINC000171409199 510141954 /nfs/dbraw/zinc/14/19/54/510141954.db2.gz VGJFOBNEGXVRNQ-MRXNPFEDSA-N 1 1 353.426 2.533 10 30 FFEEMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C#N)cs2)C1 ZINC000190557013 510204512 /nfs/dbraw/zinc/20/45/12/510204512.db2.gz DDMODUSUODECOB-CYBMUJFWSA-N 1 1 360.508 2.979 10 30 FFEEMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000171526795 510209908 /nfs/dbraw/zinc/20/99/08/510209908.db2.gz MOZSQHYPFZDPBI-MJGOQNOKSA-N 1 1 366.469 2.559 10 30 FFEEMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000171526795 510209918 /nfs/dbraw/zinc/20/99/18/510209918.db2.gz MOZSQHYPFZDPBI-MJGOQNOKSA-N 1 1 366.469 2.559 10 30 FFEEMO C[C@@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1N1CCOCC1 ZINC000245953337 510224958 /nfs/dbraw/zinc/22/49/58/510224958.db2.gz PXIVIPJOVVRHSV-CRAIPNDOSA-N 1 1 368.399 2.589 10 30 FFEEMO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(c3ccnn3CCO)CC2)c1C ZINC000171640099 510267876 /nfs/dbraw/zinc/26/78/76/510267876.db2.gz ZZPPYGNVLFRHDS-UHFFFAOYSA-N 1 1 370.497 2.542 10 30 FFEEMO CC[C@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C[C@H](C)O ZINC000246522799 510535116 /nfs/dbraw/zinc/53/51/16/510535116.db2.gz VAPJTPMGVNKCLY-RDJZCZTQSA-N 1 1 370.415 2.714 10 30 FFEEMO CCOCC[N@H+]1CCN(Cc2cc(C#N)ccc2Br)C[C@@H]1C ZINC000191784959 510828900 /nfs/dbraw/zinc/82/89/00/510828900.db2.gz YIQKFVZGOPAEIQ-AWEZNQCLSA-N 1 1 366.303 2.863 10 30 FFEEMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)n1 ZINC000247593539 510866860 /nfs/dbraw/zinc/86/68/60/510866860.db2.gz JWSMUYHXUUVKEY-RHSMWYFYSA-N 1 1 366.469 2.506 10 30 FFEEMO Cn1cc([C@H](NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c2ccc(F)cc2)cn1 ZINC000330127236 510920826 /nfs/dbraw/zinc/92/08/26/510920826.db2.gz MRVYXMHRDNRASX-MDASCCDHSA-N 1 1 371.460 2.589 10 30 FFEEMO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N1CCC[C@H](Cc3noc(C)n3)C1)CCC2 ZINC000328659728 511911348 /nfs/dbraw/zinc/91/13/48/511911348.db2.gz UBRZFWZCQDPZKD-CVEARBPZSA-N 1 1 372.473 2.629 10 30 FFEEMO CC(C)[C@@H](C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000329116750 511985534 /nfs/dbraw/zinc/98/55/34/511985534.db2.gz NNMKAQRRISJZTD-GZMRBYKVSA-N 1 1 351.491 2.974 10 30 FFEEMO C[C@H](NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)c1ccccc1-n1cccn1 ZINC000329429070 512044737 /nfs/dbraw/zinc/04/47/37/512044737.db2.gz JSINFNXOXJRWBB-BXWFABGCSA-N 1 1 353.470 2.873 10 30 FFEEMO C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCNC2=O)[C@H]1c1cccs1 ZINC000329810238 512100568 /nfs/dbraw/zinc/10/05/68/512100568.db2.gz QOFLAHTVAMQUQS-NFAWXSAZSA-N 1 1 350.488 2.754 10 30 FFEEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC[C@@H](c3noc(C4CC4)n3)C2)C1 ZINC000329830799 512102716 /nfs/dbraw/zinc/10/27/16/512102716.db2.gz SNNBRYIMDUCIGJ-BMFZPTHFSA-N 1 1 361.490 2.769 10 30 FFEEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000329654758 967914643 /nfs/dbraw/zinc/91/46/43/967914643.db2.gz MAAXGXBQQOPVQB-WBVHZDCISA-N 1 1 359.470 2.995 10 30 FFEEMO N#C[C@@H]1CCC[C@H]1NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000332837028 977677530 /nfs/dbraw/zinc/67/75/30/977677530.db2.gz FPUYWGBGLJLZRO-ZVDOUQERSA-N 1 1 352.482 2.986 10 30 FFEEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000092757818 250000127 /nfs/dbraw/zinc/00/01/27/250000127.db2.gz HVUJIRJUDDMQNF-DGCLKSJQSA-N 1 1 350.369 2.860 10 30 FFEEMO N#Cc1ccc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)c(Br)c1 ZINC000181112742 251244246 /nfs/dbraw/zinc/24/42/46/251244246.db2.gz KWWRBJQSJGCDDS-AWEZNQCLSA-N 1 1 360.259 2.824 10 30 FFEEMO C=CCC[C@H](C[N@H+]1CCCOCC1)Oc1ccc(Cn2ccnc2)cn1 ZINC000072411680 507785797 /nfs/dbraw/zinc/78/57/97/507785797.db2.gz HOUVQCCNNVKJAP-LJQANCHMSA-N 1 1 356.470 2.762 10 30 FFEEMO C=C[C@H](CC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000089505510 507843639 /nfs/dbraw/zinc/84/36/39/507843639.db2.gz ZYOVUVUHNMRYAJ-CTNGQTDRSA-N 1 1 355.526 2.975 10 30 FFEEMO N#Cc1ccccc1OCC[N@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000112351715 508177338 /nfs/dbraw/zinc/17/73/38/508177338.db2.gz BVOZWOZPFZOLBV-UHFFFAOYSA-N 1 1 355.463 2.847 10 30 FFEEMO N#Cc1ccccc1OCC[N@@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000112351715 508177339 /nfs/dbraw/zinc/17/73/39/508177339.db2.gz BVOZWOZPFZOLBV-UHFFFAOYSA-N 1 1 355.463 2.847 10 30 FFEEMO CCCn1cc(C[N@@H+]2CCCN(c3ncc(C#N)cc3Cl)CC2)cn1 ZINC000114709619 508339552 /nfs/dbraw/zinc/33/95/52/508339552.db2.gz OYZFJQSZGWSXIJ-UHFFFAOYSA-N 1 1 358.877 2.925 10 30 FFEEMO CCCn1cc(C[N@H+]2CCCN(c3ncc(C#N)cc3Cl)CC2)cn1 ZINC000114709619 508339556 /nfs/dbraw/zinc/33/95/56/508339556.db2.gz OYZFJQSZGWSXIJ-UHFFFAOYSA-N 1 1 358.877 2.925 10 30 FFEEMO C[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000191907849 509240683 /nfs/dbraw/zinc/24/06/83/509240683.db2.gz VIISVAITAHXUAG-UHFFFAOYSA-N 1 1 371.481 2.631 10 30 FFEEMO C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000191907849 509240692 /nfs/dbraw/zinc/24/06/92/509240692.db2.gz VIISVAITAHXUAG-UHFFFAOYSA-N 1 1 371.481 2.631 10 30 FFEEMO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H](n2cncn2)C1)c1cccc(Cl)c1 ZINC000162517072 509242981 /nfs/dbraw/zinc/24/29/81/509242981.db2.gz SJVXFLKRRSQSLG-QGZVFWFLSA-N 1 1 372.860 2.515 10 30 FFEEMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H](n2cncn2)C1)c1cccc(Cl)c1 ZINC000162517072 509242988 /nfs/dbraw/zinc/24/29/88/509242988.db2.gz SJVXFLKRRSQSLG-QGZVFWFLSA-N 1 1 372.860 2.515 10 30 FFEEMO C=CCC1(C(=O)N2CCC([N@H+](C)CC(=O)OC(C)(C)C)CC2)CCC1 ZINC000191913394 509243705 /nfs/dbraw/zinc/24/37/05/509243705.db2.gz IJALPMFHGBXHBM-UHFFFAOYSA-N 1 1 350.503 2.997 10 30 FFEEMO C=CCC1(C(=O)N2CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC2)CCC1 ZINC000191913394 509243709 /nfs/dbraw/zinc/24/37/09/509243709.db2.gz IJALPMFHGBXHBM-UHFFFAOYSA-N 1 1 350.503 2.997 10 30 FFEEMO COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000179712812 509585693 /nfs/dbraw/zinc/58/56/93/509585693.db2.gz XWMXTXLMXZNTLB-INIZCTEOSA-N 1 1 367.449 2.582 10 30 FFEEMO Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000173743091 509749653 /nfs/dbraw/zinc/74/96/53/509749653.db2.gz KWOWIBWOYAUWEA-AWEZNQCLSA-N 1 1 364.858 2.570 10 30 FFEEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)CCCOc1ccc(C#N)cc1OC ZINC000176988400 509803534 /nfs/dbraw/zinc/80/35/34/509803534.db2.gz ZJUXJJALLGACJD-KRWDZBQOSA-N 1 1 359.470 2.669 10 30 FFEEMO C=CC[C@@H](C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000189911690 509824903 /nfs/dbraw/zinc/82/49/03/509824903.db2.gz NYVMKNGRBCDFBD-NHCUHLMSSA-N 1 1 355.526 2.975 10 30 FFEEMO Cc1c(C#N)cccc1NC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000180625669 510022255 /nfs/dbraw/zinc/02/22/55/510022255.db2.gz GAINEGFWSYAOJL-GOSISDBHSA-N 1 1 355.486 2.501 10 30 FFEEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000190449655 510137743 /nfs/dbraw/zinc/13/77/43/510137743.db2.gz OQOZAFWOZXDFCB-MRXNPFEDSA-N 1 1 351.410 2.820 10 30 FFEEMO Cc1nc(C[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)no1 ZINC000171408566 510140765 /nfs/dbraw/zinc/14/07/65/510140765.db2.gz VOMPDALAZKKERM-BBRMVZONSA-N 1 1 353.426 2.531 10 30 FFEEMO Cc1nc(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)no1 ZINC000171408566 510140774 /nfs/dbraw/zinc/14/07/74/510140774.db2.gz VOMPDALAZKKERM-BBRMVZONSA-N 1 1 353.426 2.531 10 30 FFEEMO Cc1nc(C[C@@H]2CCC[N@@H+](CCC(=O)Nc3cccc(C#N)c3)C2)no1 ZINC000171409195 510141523 /nfs/dbraw/zinc/14/15/23/510141523.db2.gz VGJFOBNEGXVRNQ-INIZCTEOSA-N 1 1 353.426 2.533 10 30 FFEEMO Cc1nccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000245921290 510207453 /nfs/dbraw/zinc/20/74/53/510207453.db2.gz GKXLOPSKJURWGI-YLJYHZDGSA-N 1 1 365.481 2.991 10 30 FFEEMO CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000177796046 510257228 /nfs/dbraw/zinc/25/72/28/510257228.db2.gz GIURMDKQUSAWEU-YJBOKZPZSA-N 1 1 372.469 2.530 10 30 FFEEMO CCOCC[N@H+]1CCN(Cc2ccc(C#N)cc2Br)C[C@@H]1C ZINC000181094850 510273189 /nfs/dbraw/zinc/27/31/89/510273189.db2.gz LLEOFMBCMYWCLF-AWEZNQCLSA-N 1 1 366.303 2.863 10 30 FFEEMO CCOCC[N@H+]1CCN(c2c(C#N)cnc3c(F)cc(F)cc32)C[C@@H]1C ZINC000174736368 510281106 /nfs/dbraw/zinc/28/11/06/510281106.db2.gz FEGAQJOOKCFCJQ-ZDUSSCGKSA-N 1 1 360.408 2.932 10 30 FFEEMO CC#CCCCC(=O)N1CCC([N@H+](CC)CC(=O)OC(C)(C)C)CC1 ZINC000191021215 510469313 /nfs/dbraw/zinc/46/93/13/510469313.db2.gz ADZVHDGWAIFZAE-UHFFFAOYSA-N 1 1 350.503 2.835 10 30 FFEEMO CC#CCCCC(=O)N1CCC([N@@H+](CC)CC(=O)OC(C)(C)C)CC1 ZINC000191021215 510469321 /nfs/dbraw/zinc/46/93/21/510469321.db2.gz ADZVHDGWAIFZAE-UHFFFAOYSA-N 1 1 350.503 2.835 10 30 FFEEMO N#Cc1ccc(NC(=O)CC[N@@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1 ZINC000246479409 510512838 /nfs/dbraw/zinc/51/28/38/510512838.db2.gz ABFWAIVJQPBGHH-APWZRJJASA-N 1 1 371.387 2.973 10 30 FFEEMO N#Cc1ccc(NC(=O)CC[N@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1 ZINC000246479409 510512843 /nfs/dbraw/zinc/51/28/43/510512843.db2.gz ABFWAIVJQPBGHH-APWZRJJASA-N 1 1 371.387 2.973 10 30 FFEEMO C#CCC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191583849 510736459 /nfs/dbraw/zinc/73/64/59/510736459.db2.gz TXRSSSWUWHTZOL-INIZCTEOSA-N 1 1 350.503 2.691 10 30 FFEEMO C#CCC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191583849 510736464 /nfs/dbraw/zinc/73/64/64/510736464.db2.gz TXRSSSWUWHTZOL-INIZCTEOSA-N 1 1 350.503 2.691 10 30 FFEEMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000247028973 510807957 /nfs/dbraw/zinc/80/79/57/510807957.db2.gz NJFJFJLMCDHFFH-ZWKOTPCHSA-N 1 1 365.481 2.853 10 30 FFEEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCc1ccc(C#N)cc1 ZINC000247156606 510847149 /nfs/dbraw/zinc/84/71/49/510847149.db2.gz IRODHWZFZDWGGG-DYESRHJHSA-N 1 1 362.477 2.913 10 30 FFEEMO Cc1cc(NC(=O)C[N@@H+](C)C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)on1 ZINC000328631566 511901886 /nfs/dbraw/zinc/90/18/86/511901886.db2.gz KQKXMDFMNMUAOC-NSHDSACASA-N 1 1 371.363 2.981 10 30 FFEEMO CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCn3cncc3C2)[C@@H]1c1ccccc1 ZINC000329080752 511979544 /nfs/dbraw/zinc/97/95/44/511979544.db2.gz RIPCJAXZBNTRHH-HOJAQTOUSA-N 1 1 368.481 2.864 10 30 FFEEMO CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCn3cncc3C2)[C@@H]1c1ccccc1 ZINC000329080752 511979552 /nfs/dbraw/zinc/97/95/52/511979552.db2.gz RIPCJAXZBNTRHH-HOJAQTOUSA-N 1 1 368.481 2.864 10 30 FFEEMO C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000329526235 512063862 /nfs/dbraw/zinc/06/38/62/512063862.db2.gz HKSJNEPSXBNRCX-INMHGKMJSA-N 1 1 359.470 2.819 10 30 FFEEMO C#CCOC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1cccc(OC)c1 ZINC000036098563 518310445 /nfs/dbraw/zinc/31/04/45/518310445.db2.gz NLICGWJAVHFDPU-HXUWFJFHSA-N 1 1 357.425 2.847 10 30 FFEEMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)C1 ZINC000329353648 967657400 /nfs/dbraw/zinc/65/74/00/967657400.db2.gz YBOWAXKXYANFCX-POAQFYNOSA-N 1 1 367.497 2.959 10 30 FFEEMO CCc1[nH+]ccn1[C@H]1CCCN(CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000106214532 250255439 /nfs/dbraw/zinc/25/54/39/250255439.db2.gz GXPYVRSATKGIRD-HNNXBMFYSA-N 1 1 355.442 2.803 10 30 FFEEMO Cc1ccc(N2CCC(NC(=O)Cc3cccc(OCC#N)c3)CC2)[nH+]c1 ZINC000089771891 507865074 /nfs/dbraw/zinc/86/50/74/507865074.db2.gz RSFIFHQLNSJTGC-UHFFFAOYSA-N 1 1 364.449 2.620 10 30 FFEEMO C[NH+](C)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccccc1 ZINC000156245337 509149430 /nfs/dbraw/zinc/14/94/30/509149430.db2.gz ZQLGVNLHAYVMAO-INIZCTEOSA-N 1 1 363.870 2.793 10 30 FFEEMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C2CCN(CCn3cccn3)CC2)cc1 ZINC000121205489 509149888 /nfs/dbraw/zinc/14/98/88/509149888.db2.gz FUVKLIJKOKVLOW-SFHVURJKSA-N 1 1 367.497 2.770 10 30 FFEEMO C[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000192158462 509379673 /nfs/dbraw/zinc/37/96/73/509379673.db2.gz RVMRSEQLTQOPBN-GOSISDBHSA-N 1 1 371.481 2.826 10 30 FFEEMO C[N@@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000192158462 509379678 /nfs/dbraw/zinc/37/96/78/509379678.db2.gz RVMRSEQLTQOPBN-GOSISDBHSA-N 1 1 371.481 2.826 10 30 FFEEMO C=CC[C@H](CO)NC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000248593159 509381032 /nfs/dbraw/zinc/38/10/32/509381032.db2.gz RWIDAPCGCDDKMA-CKEIUWERSA-N 1 1 369.868 2.708 10 30 FFEEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1cnn(-c2ncccc2C#N)c1 ZINC000186014487 509480920 /nfs/dbraw/zinc/48/09/20/509480920.db2.gz QIVBRUFQQOGLMO-UZLBHIALSA-N 1 1 373.464 2.856 10 30 FFEEMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c(OC)c1 ZINC000249722960 509742766 /nfs/dbraw/zinc/74/27/66/509742766.db2.gz NVPGLDDEGFBSDJ-CEXWTWQISA-N 1 1 361.482 2.807 10 30 FFEEMO C=C(C)COc1cc(C[N@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)ccc1OC ZINC000180236703 509827383 /nfs/dbraw/zinc/82/73/83/509827383.db2.gz OZNOTEKATCVWKZ-MJGOQNOKSA-N 1 1 360.498 2.803 10 30 FFEEMO C[N@@H+]1C[C@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)C[C@H]2C1 ZINC000193629872 509998038 /nfs/dbraw/zinc/99/80/38/509998038.db2.gz QTHGRTWOHLRNLN-GASCZTMLSA-N 1 1 372.538 2.711 10 30 FFEEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccccc2-c2ccccc2C#N)C[C@@H]1C ZINC000174328505 510062043 /nfs/dbraw/zinc/06/20/43/510062043.db2.gz OQWXDHGKNXQVDG-DLBZAZTESA-N 1 1 363.461 2.752 10 30 FFEEMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccccc2-c2ccccc2C#N)C[C@@H]1C ZINC000174328505 510062047 /nfs/dbraw/zinc/06/20/47/510062047.db2.gz OQWXDHGKNXQVDG-DLBZAZTESA-N 1 1 363.461 2.752 10 30 FFEEMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000177777013 510247281 /nfs/dbraw/zinc/24/72/81/510247281.db2.gz NTLIVCLBNRUABD-ZWKOTPCHSA-N 1 1 370.497 2.500 10 30 FFEEMO N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000246115434 510303132 /nfs/dbraw/zinc/30/31/32/510303132.db2.gz XZEOWUDNWYMUEP-ZWKOTPCHSA-N 1 1 351.454 2.747 10 30 FFEEMO N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000246115434 510303138 /nfs/dbraw/zinc/30/31/38/510303138.db2.gz XZEOWUDNWYMUEP-ZWKOTPCHSA-N 1 1 351.454 2.747 10 30 FFEEMO CCOCC[N@H+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000246500446 510522963 /nfs/dbraw/zinc/52/29/63/510522963.db2.gz SMAIJMGLWNLPCP-MRXNPFEDSA-N 1 1 370.415 2.979 10 30 FFEEMO CC1CC[NH+](C2CCC(NC(=O)N3CCC[C@H]3Cn3ccnn3)CC2)CC1 ZINC000329056091 511973852 /nfs/dbraw/zinc/97/38/52/511973852.db2.gz MFRMBCCYFKNLTD-ACBHZAAOSA-N 1 1 374.533 2.700 10 30 FFEEMO C[C@H](NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)c1cccc(-n2ccnc2)c1 ZINC000329268955 512017329 /nfs/dbraw/zinc/01/73/29/512017329.db2.gz GUUFLUZOYLDIGN-TXPKVOOTSA-N 1 1 353.470 2.873 10 30 FFEEMO C[C@@H](C(=O)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[NH+]1CCSCC1 ZINC000329301484 512022821 /nfs/dbraw/zinc/02/28/21/512022821.db2.gz VVQFDZQTZBQFTA-YUTCNCBUSA-N 1 1 366.487 2.561 10 30 FFEEMO CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000329439166 512047111 /nfs/dbraw/zinc/04/71/11/512047111.db2.gz JWRFCSDPJIVZAA-USXIJHARSA-N 1 1 356.532 2.953 10 30 FFEEMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329703840 512088170 /nfs/dbraw/zinc/08/81/70/512088170.db2.gz JCKRWAYUFLAFOC-JYYAWHABSA-N 1 1 350.507 2.993 10 30 FFEEMO Cc1nc(C)n(C[C@H]2CCCN(C([O-])=[NH+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)n1 ZINC000329800592 512098580 /nfs/dbraw/zinc/09/85/80/512098580.db2.gz IREWHNCPYFYHEC-QBUWPKIASA-N 1 1 374.533 2.536 10 30 FFEEMO Cc1nc(C)n(C[C@H]2CCCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)n1 ZINC000329800592 512098581 /nfs/dbraw/zinc/09/85/81/512098581.db2.gz IREWHNCPYFYHEC-QBUWPKIASA-N 1 1 374.533 2.536 10 30 FFEEMO Cc1nc(C)n(C[C@H]2CCCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)n1 ZINC000329800592 512098582 /nfs/dbraw/zinc/09/85/82/512098582.db2.gz IREWHNCPYFYHEC-QBUWPKIASA-N 1 1 374.533 2.536 10 30 FFEEMO Cn1nccc1[C@H]1[C@H](C[N@@H+](C)Cc2ccc(F)c(C#N)c2)CCCN1C ZINC000500412668 515696913 /nfs/dbraw/zinc/69/69/13/515696913.db2.gz WQHBYUUJPYCJKU-OXJNMPFZSA-N 1 1 355.461 2.946 10 30 FFEEMO C[N@@H+]1CCN(C(=O)NCc2cn3c(n2)CCCC3)[C@@H](c2ccccc2)C1 ZINC000328792629 963877503 /nfs/dbraw/zinc/87/75/03/963877503.db2.gz RLGAJIZFYRLOCK-GOSISDBHSA-N 1 1 353.470 2.622 10 30 FFEEMO C[N@H+]1CCN(C(=O)NCc2cn3c(n2)CCCC3)[C@@H](c2ccccc2)C1 ZINC000328792629 963877514 /nfs/dbraw/zinc/87/75/14/963877514.db2.gz RLGAJIZFYRLOCK-GOSISDBHSA-N 1 1 353.470 2.622 10 30 FFEEMO C[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000329275184 967609183 /nfs/dbraw/zinc/60/91/83/967609183.db2.gz JSSULZAZTZLAPM-WMZOPIPTSA-N 1 1 373.497 2.735 10 30 FFEEMO Cc1oc(NC(=O)[C@H](C)N2CCC(Cc3[nH+]ccn3C)CC2)c(C#N)c1C ZINC000106164312 250245646 /nfs/dbraw/zinc/24/56/46/250245646.db2.gz XUUBENXYYDVXBS-AWEZNQCLSA-N 1 1 369.469 2.783 10 30 FFEEMO Cn1cc[nH+]c1CC1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000106166396 250246435 /nfs/dbraw/zinc/24/64/35/250246435.db2.gz LCUUTILNLNOCSM-UHFFFAOYSA-N 1 1 371.872 2.838 10 30 FFEEMO C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106164822 250246922 /nfs/dbraw/zinc/24/69/22/250246922.db2.gz MAHJZFPPTOGFAB-OAHLLOKOSA-N 1 1 351.454 2.573 10 30 FFEEMO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106164821 250246974 /nfs/dbraw/zinc/24/69/74/250246974.db2.gz MAHJZFPPTOGFAB-HNNXBMFYSA-N 1 1 351.454 2.573 10 30 FFEEMO C[C@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCOC[C@H]1C ZINC000301383129 258046271 /nfs/dbraw/zinc/04/62/71/258046271.db2.gz BAJCNZMVZPBPHO-CHWSQXEVSA-N 1 1 355.398 2.536 10 30 FFEEMO C[C@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[N@H+]1CCOC[C@H]1C ZINC000301383129 258046273 /nfs/dbraw/zinc/04/62/73/258046273.db2.gz BAJCNZMVZPBPHO-CHWSQXEVSA-N 1 1 355.398 2.536 10 30 FFEEMO C[N@H+]1CCO[C@@H]2CCN(c3c(C#N)cnc4ccc(OC(F)F)cc43)C[C@H]21 ZINC000328991359 258126329 /nfs/dbraw/zinc/12/63/29/258126329.db2.gz SKSDRRBJSDEHPT-IAGOWNOFSA-N 1 1 374.391 2.617 10 30 FFEEMO N#Cc1cccc(N[C@@H]2CO[C@@]3(C2)CCC[N@H+](Cc2nccs2)C3)n1 ZINC000096073867 222011852 /nfs/dbraw/zinc/01/18/52/222011852.db2.gz XYZNDHJLOVVPHE-MAUKXSAKSA-N 1 1 355.467 2.645 10 30 FFEEMO N#Cc1cccc(N[C@@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2nccs2)C3)n1 ZINC000096073867 222011856 /nfs/dbraw/zinc/01/18/56/222011856.db2.gz XYZNDHJLOVVPHE-MAUKXSAKSA-N 1 1 355.467 2.645 10 30 FFEEMO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000110347985 508022202 /nfs/dbraw/zinc/02/22/02/508022202.db2.gz NVUVYQRDHIFEGX-IRXDYDNUSA-N 1 1 351.450 2.962 10 30 FFEEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000083476109 508246039 /nfs/dbraw/zinc/24/60/39/508246039.db2.gz BRWOMWALAXKYKP-SFHVURJKSA-N 1 1 361.453 2.988 10 30 FFEEMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000106218380 508398248 /nfs/dbraw/zinc/39/82/48/508398248.db2.gz IYQMAGDECANYCM-HOTGVXAUSA-N 1 1 359.499 2.580 10 30 FFEEMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000106218380 508398249 /nfs/dbraw/zinc/39/82/49/508398249.db2.gz IYQMAGDECANYCM-HOTGVXAUSA-N 1 1 359.499 2.580 10 30 FFEEMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCc1ccc(C#N)cc1 ZINC000116528619 508525438 /nfs/dbraw/zinc/52/54/38/508525438.db2.gz KLHBTJXDPYIYPJ-UZLBHIALSA-N 1 1 363.465 2.663 10 30 FFEEMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000154625440 508821449 /nfs/dbraw/zinc/82/14/49/508821449.db2.gz JFOKAKKOPQXDOF-DDUYZKFLSA-N 1 1 370.497 2.854 10 30 FFEEMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000154625440 508821452 /nfs/dbraw/zinc/82/14/52/508821452.db2.gz JFOKAKKOPQXDOF-DDUYZKFLSA-N 1 1 370.497 2.854 10 30 FFEEMO C[N@H+](CC#Cc1cccc(Cl)c1)C1CCN(CCn2cccn2)CC1 ZINC000159941269 508915144 /nfs/dbraw/zinc/91/51/44/508915144.db2.gz ZVHBMJOUQXRJPU-UHFFFAOYSA-N 1 1 356.901 2.984 10 30 FFEEMO Cc1noc([C@H](C)N2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)n1 ZINC000121314267 509165674 /nfs/dbraw/zinc/16/56/74/509165674.db2.gz CRJKYSACZJPHLO-INIZCTEOSA-N 1 1 368.485 2.607 10 30 FFEEMO C=CCOc1cccc(C[NH+]2CCN(Cc3c(C)nn(C)c3C)CC2)c1 ZINC000121441236 509174225 /nfs/dbraw/zinc/17/42/25/509174225.db2.gz ARYLQXKVDFFLNR-UHFFFAOYSA-N 1 1 354.498 2.920 10 30 FFEEMO C=CCOc1cccc(CN2CC[NH+](Cc3c(C)nn(C)c3C)CC2)c1 ZINC000121441236 509174226 /nfs/dbraw/zinc/17/42/26/509174226.db2.gz ARYLQXKVDFFLNR-UHFFFAOYSA-N 1 1 354.498 2.920 10 30 FFEEMO C[N@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)NCCCCC#N)CC1 ZINC000192377617 509490180 /nfs/dbraw/zinc/49/01/80/509490180.db2.gz UKTHOXUOOHBVFQ-INIZCTEOSA-N 1 1 366.506 2.518 10 30 FFEEMO C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)NCCCCC#N)CC1 ZINC000192377617 509490190 /nfs/dbraw/zinc/49/01/90/509490190.db2.gz UKTHOXUOOHBVFQ-INIZCTEOSA-N 1 1 366.506 2.518 10 30 FFEEMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)cc1 ZINC000249036365 509577443 /nfs/dbraw/zinc/57/74/43/509577443.db2.gz STGXEUQJPWPFIE-GDBMZVCRSA-N 1 1 355.442 2.806 10 30 FFEEMO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000170987726 509878103 /nfs/dbraw/zinc/87/81/03/509878103.db2.gz GRQZCOLSVGPIIK-JKSUJKDBSA-N 1 1 358.511 2.657 10 30 FFEEMO C=CCc1ccc(OC[C@H](O)CN2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)c(OC)c1 ZINC000245416863 509917229 /nfs/dbraw/zinc/91/72/29/509917229.db2.gz FNIORRUMUQTNLJ-XUVXKRRUSA-N 1 1 374.525 2.722 10 30 FFEEMO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@@H](Oc4cccnc4)C3)C2=O)cc1 ZINC000245528619 509985919 /nfs/dbraw/zinc/98/59/19/509985919.db2.gz QTVRSTQRVYIYRE-UXHICEINSA-N 1 1 362.433 2.602 10 30 FFEEMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@@H](Oc4cccnc4)C3)C2=O)cc1 ZINC000245528619 509985922 /nfs/dbraw/zinc/98/59/22/509985922.db2.gz QTVRSTQRVYIYRE-UXHICEINSA-N 1 1 362.433 2.602 10 30 FFEEMO C=C(C)COc1cc(CN2CC[N@@H+](C[C@H](C)O)[C@H](CC)C2)ccc1OC ZINC000245745854 510123935 /nfs/dbraw/zinc/12/39/35/510123935.db2.gz MUCJMRKJYFSLOG-PKOBYXMFSA-N 1 1 362.514 2.927 10 30 FFEEMO C=C(C)COc1cc(C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)ccc1OC ZINC000245757824 510132773 /nfs/dbraw/zinc/13/27/73/510132773.db2.gz OZNOTEKATCVWKZ-IEBWSBKVSA-N 1 1 360.498 2.803 10 30 FFEEMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(C#N)c2)C1 ZINC000190551907 510201691 /nfs/dbraw/zinc/20/16/91/510201691.db2.gz OMSFDDAACCVMHB-INIZCTEOSA-N 1 1 354.479 2.917 10 30 FFEEMO N#Cc1ccc([C@H](O)C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000245966881 510231907 /nfs/dbraw/zinc/23/19/07/510231907.db2.gz DURWRXIRYYWWKJ-OAQYLSRUSA-N 1 1 353.441 2.939 10 30 FFEEMO N#Cc1ccc([C@H](O)CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000245966881 510231910 /nfs/dbraw/zinc/23/19/10/510231910.db2.gz DURWRXIRYYWWKJ-OAQYLSRUSA-N 1 1 353.441 2.939 10 30 FFEEMO N#Cc1ccc([C@H](O)CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000245966881 510231911 /nfs/dbraw/zinc/23/19/11/510231911.db2.gz DURWRXIRYYWWKJ-OAQYLSRUSA-N 1 1 353.441 2.939 10 30 FFEEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccccc2OCC#N)C1 ZINC000190641311 510255621 /nfs/dbraw/zinc/25/56/21/510255621.db2.gz DEGDJKMRUJXSPU-SFHVURJKSA-N 1 1 364.449 2.578 10 30 FFEEMO Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1C[N@H+](Cc3ccccc3)CCO1)CCC2 ZINC000328662729 511912481 /nfs/dbraw/zinc/91/24/81/511912481.db2.gz XNLGVXREHSIMDG-OALUTQOASA-N 1 1 368.481 2.926 10 30 FFEEMO Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc3ccccc3)CCO1)CCC2 ZINC000328662729 511912490 /nfs/dbraw/zinc/91/24/90/511912490.db2.gz XNLGVXREHSIMDG-OALUTQOASA-N 1 1 368.481 2.926 10 30 FFEEMO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000328742365 511924678 /nfs/dbraw/zinc/92/46/78/511924678.db2.gz NXIHTEUZWSLGEI-ZIAGYGMSSA-N 1 1 366.531 2.822 10 30 FFEEMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC ZINC000006483622 518859738 /nfs/dbraw/zinc/85/97/38/518859738.db2.gz OABRYNHZQBZDMG-INIZCTEOSA-N 1 1 364.461 2.986 10 30 FFEEMO CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)C1 ZINC000328783514 729795176 /nfs/dbraw/zinc/79/51/76/729795176.db2.gz JYUXYJPTBUYJRW-WFASDCNBSA-N 1 1 351.397 2.759 10 30 FFEEMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330180136 970777051 /nfs/dbraw/zinc/77/70/51/970777051.db2.gz NDNKODMSHHPKDB-QKNQBKEWSA-N 1 1 357.498 2.802 10 30 FFEEMO CC(C)(C)c1cn2c(n1)CC[C@H]([NH+]=C([O-])N1CC[C@@H]([NH+]3CCCCC3)C1)C2 ZINC000329257529 967587877 /nfs/dbraw/zinc/58/78/77/967587877.db2.gz DYMOHAIPTXMVFJ-DLBZAZTESA-N 1 1 373.545 2.970 10 30 FFEEMO Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCC[C@@H](C3CC3)C2)CCC[N@H+]1C ZINC000329328681 967647637 /nfs/dbraw/zinc/64/76/37/967647637.db2.gz KOMDOQLZLLVFIX-YQVWRLOYSA-N 1 1 359.518 2.839 10 30 FFEEMO Cc1cccc(NC(=[NH2+])NCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000104155560 1009928999 /nfs/dbraw/zinc/92/89/99/1009928999.db2.gz GWJCGSBTOCIJFJ-UHFFFAOYSA-N 1 1 351.498 2.539 10 30 FFEEMO C[C@@H]1CN(c2c(C#N)cnc3ccc(Cl)cc32)C[C@@H]1[NH+]1CCOCC1 ZINC000301568365 258056256 /nfs/dbraw/zinc/05/62/56/258056256.db2.gz LHLLBHTYOIDNKX-ACJLOTCBSA-N 1 1 356.857 2.917 10 30 FFEEMO CCCn1cc(C[N@@H+]2CCCN(C(=O)Nc3ccc(C#N)cc3)CC2)cn1 ZINC000121881063 508439780 /nfs/dbraw/zinc/43/97/80/508439780.db2.gz WMBRQOQKMRQQDY-UHFFFAOYSA-N 1 1 366.469 2.905 10 30 FFEEMO CCCn1cc(C[N@H+]2CCCN(C(=O)Nc3ccc(C#N)cc3)CC2)cn1 ZINC000121881063 508439786 /nfs/dbraw/zinc/43/97/86/508439786.db2.gz WMBRQOQKMRQQDY-UHFFFAOYSA-N 1 1 366.469 2.905 10 30 FFEEMO Cn1cc([C@@H]2CC[N@@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)cn1 ZINC000116314263 508498268 /nfs/dbraw/zinc/49/82/68/508498268.db2.gz VMCOUZBKYASPAZ-CQSZACIVSA-N 1 1 357.845 2.763 10 30 FFEEMO Cc1cc(C)n(C[C@H]2C[N@H+](Cc3ccc(N(C)CCC#N)cc3)CCO2)n1 ZINC000122618871 508563210 /nfs/dbraw/zinc/56/32/10/508563210.db2.gz GJJOMHAEIIWTKJ-OAQYLSRUSA-N 1 1 367.497 2.751 10 30 FFEEMO Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3ccc(N(C)CCC#N)cc3)CCO2)n1 ZINC000122618871 508563213 /nfs/dbraw/zinc/56/32/13/508563213.db2.gz GJJOMHAEIIWTKJ-OAQYLSRUSA-N 1 1 367.497 2.751 10 30 FFEEMO CC[C@@H]1CN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC[N@H+]1CCOC ZINC000157640280 508591074 /nfs/dbraw/zinc/59/10/74/508591074.db2.gz OUURDEJLJQBUTK-GOSISDBHSA-N 1 1 374.485 2.920 10 30 FFEEMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000191791617 509182940 /nfs/dbraw/zinc/18/29/40/509182940.db2.gz OJXZLYXZKGXLLB-CQSZACIVSA-N 1 1 360.259 2.824 10 30 FFEEMO N#Cc1ccccc1Cn1cccc1C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000189512162 509612244 /nfs/dbraw/zinc/61/22/44/509612244.db2.gz BBMXEDOGULSKJB-GOSISDBHSA-N 1 1 360.465 2.912 10 30 FFEEMO C=CCCO[C@@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000251713998 509818079 /nfs/dbraw/zinc/81/80/79/509818079.db2.gz KRVITEUYVSTOQZ-HOTGVXAUSA-N 1 1 351.516 2.713 10 30 FFEEMO COC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000245406375 509908389 /nfs/dbraw/zinc/90/83/89/509908389.db2.gz XCJCFVOYCSFMIL-QZTJIDSGSA-N 1 1 371.481 2.824 10 30 FFEEMO COC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000245406375 509908396 /nfs/dbraw/zinc/90/83/96/509908396.db2.gz XCJCFVOYCSFMIL-QZTJIDSGSA-N 1 1 371.481 2.824 10 30 FFEEMO C=C[C@@H]1C[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC ZINC000257453443 509983492 /nfs/dbraw/zinc/98/34/92/509983492.db2.gz JGKCGXVOATXMRM-DOEAQHAXSA-N 1 1 354.450 2.671 10 30 FFEEMO C=C[C@@H]1C[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC ZINC000257453443 509983497 /nfs/dbraw/zinc/98/34/97/509983497.db2.gz JGKCGXVOATXMRM-DOEAQHAXSA-N 1 1 354.450 2.671 10 30 FFEEMO C=C(C)COc1cccc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)c1 ZINC000190353094 510081256 /nfs/dbraw/zinc/08/12/56/510081256.db2.gz HQEUWGQLMLWZCF-ZWKOTPCHSA-N 1 1 371.481 2.665 10 30 FFEEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000245842130 510164906 /nfs/dbraw/zinc/16/49/06/510164906.db2.gz KBAWRIWJIZVSAA-IRXDYDNUSA-N 1 1 351.450 2.962 10 30 FFEEMO CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000177796068 510257671 /nfs/dbraw/zinc/25/76/71/510257671.db2.gz GIURMDKQUSAWEU-MAUKXSAKSA-N 1 1 372.469 2.530 10 30 FFEEMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000246288979 510408250 /nfs/dbraw/zinc/40/82/50/510408250.db2.gz AWTMXUKTBVGDCL-JKSUJKDBSA-N 1 1 359.470 2.501 10 30 FFEEMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000246288979 510408256 /nfs/dbraw/zinc/40/82/56/510408256.db2.gz AWTMXUKTBVGDCL-JKSUJKDBSA-N 1 1 359.470 2.501 10 30 FFEEMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247002054 510792708 /nfs/dbraw/zinc/79/27/08/510792708.db2.gz PREPIRVKBSFHJU-QQLHUISISA-N 1 1 361.530 2.933 10 30 FFEEMO CCc1csc([C@@H]2CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C2)n1 ZINC000195384118 510806732 /nfs/dbraw/zinc/80/67/32/510806732.db2.gz NMYMWYJTJVCOHL-OAHLLOKOSA-N 1 1 359.499 2.541 10 30 FFEEMO CCc1csc([C@@H]2CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)n1 ZINC000195384118 510806737 /nfs/dbraw/zinc/80/67/37/510806737.db2.gz NMYMWYJTJVCOHL-OAHLLOKOSA-N 1 1 359.499 2.541 10 30 FFEEMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)N[C@@H]1CCCSC1 ZINC000330206303 510938153 /nfs/dbraw/zinc/93/81/53/510938153.db2.gz DZFYXRJMRUGWRZ-USXIJHARSA-N 1 1 365.547 2.544 10 30 FFEEMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCc3cncnc3C1)CCC2 ZINC000329170008 511997606 /nfs/dbraw/zinc/99/76/06/511997606.db2.gz JVKVIHGCUQTHFQ-UHFFFAOYSA-N 1 1 353.451 2.935 10 30 FFEEMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCc3cncnc3C1)CCC2 ZINC000329170008 511997611 /nfs/dbraw/zinc/99/76/11/511997611.db2.gz JVKVIHGCUQTHFQ-UHFFFAOYSA-N 1 1 353.451 2.935 10 30 FFEEMO CC(C)(C)c1cn2c(n1)CC[C@H]([NH+]=C([O-])N1CC[N@H+]3CCCC[C@@H]3C1)C2 ZINC000329300751 512022692 /nfs/dbraw/zinc/02/26/92/512022692.db2.gz VNARRAWLDVQRRT-JKSUJKDBSA-N 1 1 359.518 2.580 10 30 FFEEMO Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC3(CCC3)[C@@H]2C2CC2)CCC[N@H+]1C ZINC000329622170 512078542 /nfs/dbraw/zinc/07/85/42/512078542.db2.gz HDDRMIDBUNTWME-UHOSZYNNSA-N 1 1 371.529 2.982 10 30 FFEEMO CC(=O)N1C[C@H](CCC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)c2ccccc21 ZINC000329638681 512080596 /nfs/dbraw/zinc/08/05/96/512080596.db2.gz WEFGXQCQPCVDFA-WMZOPIPTSA-N 1 1 372.513 2.509 10 30 FFEEMO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000328944010 965095674 /nfs/dbraw/zinc/09/56/74/965095674.db2.gz LRJNDBRWGGOUHN-SNVBAGLBSA-N 1 1 373.379 2.651 10 30 FFEEMO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000328944010 965095680 /nfs/dbraw/zinc/09/56/80/965095680.db2.gz LRJNDBRWGGOUHN-SNVBAGLBSA-N 1 1 373.379 2.651 10 30 FFEEMO Cc1cc(C)n(-c2ccc(CCNC(=O)N3CC[N@H+]4CCC[C@H]4C3)cc2)n1 ZINC000329476638 967741238 /nfs/dbraw/zinc/74/12/38/967741238.db2.gz POBHGEFNEAKQBB-FQEVSTJZSA-N 1 1 367.497 2.726 10 30 FFEEMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000252652241 251310944 /nfs/dbraw/zinc/31/09/44/251310944.db2.gz IXMWSVBJCSCRAA-LMMKCTJWSA-N 1 1 372.490 2.948 10 30 FFEEMO Cc1cccc(NC(=S)N/N=C2\C3CN4CC2(C(C)C)C[N@H+](C3)CC4)c1 ZINC000020408320 220325410 /nfs/dbraw/zinc/32/54/10/220325410.db2.gz YNMYFSFVPLUJOA-RELWKKBWSA-N 1 1 371.554 2.541 10 30 FFEEMO C[N@H+]1CCO[C@H]2CCN(c3c(C#N)cnc4ccc(OC(F)F)cc43)C[C@@H]21 ZINC000328991361 258126384 /nfs/dbraw/zinc/12/63/84/258126384.db2.gz SKSDRRBJSDEHPT-IRXDYDNUSA-N 1 1 374.391 2.617 10 30 FFEEMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1C[C@@H]3CC[C@H](O)C[C@H]3C1)CCC2 ZINC000333094946 258249543 /nfs/dbraw/zinc/24/95/43/258249543.db2.gz CZAZCDXZNVDXNP-IHRRRGAJSA-N 1 1 359.495 2.530 10 30 FFEEMO N#Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)sc2c1CCCC2 ZINC000333196982 258255498 /nfs/dbraw/zinc/25/54/98/258255498.db2.gz WLBPHQLVABMVKU-SOUVJXGZSA-N 1 1 373.522 2.920 10 30 FFEEMO N#Cc1ccc(F)c(CNC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000075177560 508087443 /nfs/dbraw/zinc/08/74/43/508087443.db2.gz UEEPPTCOXOMYJP-LJQANCHMSA-N 1 1 367.424 2.605 10 30 FFEEMO N#Cc1ccc(F)c(CNC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000075177560 508087447 /nfs/dbraw/zinc/08/74/47/508087447.db2.gz UEEPPTCOXOMYJP-LJQANCHMSA-N 1 1 367.424 2.605 10 30 FFEEMO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2n[nH]c(C)n2)c2ccccc2)CC1 ZINC000106340779 508399527 /nfs/dbraw/zinc/39/95/27/508399527.db2.gz QBUFCVKULAEBIJ-SFHVURJKSA-N 1 1 368.485 2.542 10 30 FFEEMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000116315056 508498023 /nfs/dbraw/zinc/49/80/23/508498023.db2.gz PMAMTIPGOYDNLT-GOSISDBHSA-N 1 1 365.481 2.773 10 30 FFEEMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000116315056 508498025 /nfs/dbraw/zinc/49/80/25/508498025.db2.gz PMAMTIPGOYDNLT-GOSISDBHSA-N 1 1 365.481 2.773 10 30 FFEEMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c1C ZINC000116311969 508498114 /nfs/dbraw/zinc/49/81/14/508498114.db2.gz RSILEGIZWMMIKK-GOSISDBHSA-N 1 1 365.481 2.773 10 30 FFEEMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1C ZINC000116311969 508498122 /nfs/dbraw/zinc/49/81/22/508498122.db2.gz RSILEGIZWMMIKK-GOSISDBHSA-N 1 1 365.481 2.773 10 30 FFEEMO Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3ccc(N(C)CCC#N)cc3)CCO2)n1 ZINC000122618633 508563413 /nfs/dbraw/zinc/56/34/13/508563413.db2.gz GJJOMHAEIIWTKJ-NRFANRHFSA-N 1 1 367.497 2.751 10 30 FFEEMO Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3ccc(N(C)CCC#N)cc3)CCO2)n1 ZINC000122618633 508563416 /nfs/dbraw/zinc/56/34/16/508563416.db2.gz GJJOMHAEIIWTKJ-NRFANRHFSA-N 1 1 367.497 2.751 10 30 FFEEMO C=CCOc1cccc(NC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)c1 ZINC000136787654 508716553 /nfs/dbraw/zinc/71/65/53/508716553.db2.gz NAMCSXHCXRCJHK-UHFFFAOYSA-N 1 1 369.469 2.725 10 30 FFEEMO C=CCOc1cccc(NC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)c1 ZINC000136787654 508716557 /nfs/dbraw/zinc/71/65/57/508716557.db2.gz NAMCSXHCXRCJHK-UHFFFAOYSA-N 1 1 369.469 2.725 10 30 FFEEMO COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000158597445 508726780 /nfs/dbraw/zinc/72/67/80/508726780.db2.gz CGBYJXZKIKXJNT-HBMCJLEFSA-N 1 1 364.445 2.870 10 30 FFEEMO CC[C@H]1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC[N@H+]1CCOC ZINC000160663353 509016688 /nfs/dbraw/zinc/01/66/88/509016688.db2.gz LYCUERQAQHQUEX-OALUTQOASA-N 1 1 358.486 2.784 10 30 FFEEMO N#CCCn1cc(C[N@H+]2CCC[C@H](n3cncn3)C2)c(-c2ccccc2)n1 ZINC000179464812 509457741 /nfs/dbraw/zinc/45/77/41/509457741.db2.gz LECLHCKWRYZCKG-IBGZPJMESA-N 1 1 361.453 2.892 10 30 FFEEMO C=CC[C@@H](C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000189229545 509473272 /nfs/dbraw/zinc/47/32/72/509473272.db2.gz ROGQMZSWRMHZAS-HXUWFJFHSA-N 1 1 352.482 2.814 10 30 FFEEMO C=CC[C@@H](C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000189229545 509473278 /nfs/dbraw/zinc/47/32/78/509473278.db2.gz ROGQMZSWRMHZAS-HXUWFJFHSA-N 1 1 352.482 2.814 10 30 FFEEMO CC(C)[N@@H+]1C[C@H](NC(=O)NCCSCc2ccccc2C#N)[C@@H](C)C1 ZINC000176436510 509509115 /nfs/dbraw/zinc/50/91/15/509509115.db2.gz DFEBSKIEINQPIG-YJBOKZPZSA-N 1 1 360.527 2.819 10 30 FFEEMO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000245200311 509881625 /nfs/dbraw/zinc/88/16/25/509881625.db2.gz JLNRWXXRKSSQQU-OLMNPRSZSA-N 1 1 355.438 2.693 10 30 FFEEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCCSCc1ccccc1C#N ZINC000177337352 510003032 /nfs/dbraw/zinc/00/30/32/510003032.db2.gz YRSLDYRDGFIPLQ-GOSISDBHSA-N 1 1 360.527 2.917 10 30 FFEEMO Cc1[nH+]ccn1C[C@@H]1CCCN1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000177372491 510020288 /nfs/dbraw/zinc/02/02/88/510020288.db2.gz WCFLDUUDBHNGET-HNNXBMFYSA-N 1 1 357.483 2.845 10 30 FFEEMO Cc1c(C#N)cccc1NC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000180625652 510021703 /nfs/dbraw/zinc/02/17/03/510021703.db2.gz GAINEGFWSYAOJL-SFHVURJKSA-N 1 1 355.486 2.501 10 30 FFEEMO Cc1nc(C[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)no1 ZINC000171405615 510137118 /nfs/dbraw/zinc/13/71/18/510137118.db2.gz HYACRJBLIRYGLG-ZFWWWQNUSA-N 1 1 353.426 2.531 10 30 FFEEMO Cc1nc(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)no1 ZINC000171405615 510137127 /nfs/dbraw/zinc/13/71/27/510137127.db2.gz HYACRJBLIRYGLG-ZFWWWQNUSA-N 1 1 353.426 2.531 10 30 FFEEMO C=C(C)COCCNC(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190727420 510310886 /nfs/dbraw/zinc/31/08/86/510310886.db2.gz MBFFOQKPALEPSB-INIZCTEOSA-N 1 1 366.531 2.508 10 30 FFEEMO C#CCNC(=O)c1ccc(NCc2cccc(Cn3cc[nH+]c3C)c2)nc1 ZINC000301518247 511696421 /nfs/dbraw/zinc/69/64/21/511696421.db2.gz KMIFSFMGUQBWRU-UHFFFAOYSA-N 1 1 359.433 2.610 10 30 FFEEMO C[C@@H]1C[C@H](NC(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000329121063 511987242 /nfs/dbraw/zinc/98/72/42/511987242.db2.gz VYXJVODFUVMLGJ-VXIBKDFQSA-N 1 1 367.534 2.679 10 30 FFEEMO C[C@H](NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)c1ccccc1-n1cccn1 ZINC000329429073 512044451 /nfs/dbraw/zinc/04/44/51/512044451.db2.gz JSINFNXOXJRWBB-TXPKVOOTSA-N 1 1 353.470 2.873 10 30 FFEEMO C[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CCS1 ZINC000329502924 512059786 /nfs/dbraw/zinc/05/97/86/512059786.db2.gz WHYPAJJMAYGIHN-YQQAZPJKSA-N 1 1 365.547 2.544 10 30 FFEEMO CCC(CC)[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)CCO1 ZINC000329622262 512078727 /nfs/dbraw/zinc/07/87/27/512078727.db2.gz RTDRWVAMJFMTOD-LULLPPNCSA-N 1 1 367.534 2.679 10 30 FFEEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000329643525 512081587 /nfs/dbraw/zinc/08/15/87/512081587.db2.gz IXHQBVBIDDZVNQ-XLIONFOSSA-N 1 1 367.497 2.887 10 30 FFEEMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CC[C@@H](CCO)C1 ZINC000329774932 512096536 /nfs/dbraw/zinc/09/65/36/512096536.db2.gz MPZJPNUUKBFCOI-JKSUJKDBSA-N 1 1 351.516 2.578 10 30 FFEEMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@H+]2CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000407961218 512975180 /nfs/dbraw/zinc/97/51/80/512975180.db2.gz BUGIAJBRRBPNTG-YRXWBPOGSA-N 1 1 361.530 2.933 10 30 FFEEMO C=CCn1c(-c2ccco2)nn(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1=S ZINC000153216911 728774793 /nfs/dbraw/zinc/77/47/93/728774793.db2.gz VMJGCQFCIYREBV-HUUCEWRRSA-N 1 1 359.499 2.986 10 30 FFEEMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000329672307 967929853 /nfs/dbraw/zinc/92/98/53/967929853.db2.gz UMFLWBJMXADBCE-QFBILLFUSA-N 1 1 370.497 2.960 10 30 FFEEMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](CCC(=O)Nc3sccc3C#N)C2)n1 ZINC000106181415 250251053 /nfs/dbraw/zinc/25/10/53/250251053.db2.gz JNPASBWTNZUWLR-HNNXBMFYSA-N 1 1 372.498 2.569 10 30 FFEEMO CN(CCC#N)c1ccc(C[N@H+]2CCCN(c3cccnn3)CC2)cc1 ZINC000093150704 508125761 /nfs/dbraw/zinc/12/57/61/508125761.db2.gz FUTUNKIUNQMKRY-UHFFFAOYSA-N 1 1 350.470 2.539 10 30 FFEEMO COc1ccc(C[NH2+][C@@H]2CCCn3nc(C)nc32)cc1OCCCC#N ZINC000083475684 508246141 /nfs/dbraw/zinc/24/61/41/508246141.db2.gz SIVSKQIXQVAVKB-MRXNPFEDSA-N 1 1 355.442 2.902 10 30 FFEEMO Cn1cc[nH+]c1CC1CCN(C(=O)/C=C/c2ccc(OCC#N)cc2)CC1 ZINC000121927213 508450634 /nfs/dbraw/zinc/45/06/34/508450634.db2.gz JPXALEBVIJGPQN-QPJJXVBHSA-N 1 1 364.449 2.817 10 30 FFEEMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116312285 508498237 /nfs/dbraw/zinc/49/82/37/508498237.db2.gz HXRMYZWIHZXUCY-CVEARBPZSA-N 1 1 369.444 2.684 10 30 FFEEMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116314315 508498377 /nfs/dbraw/zinc/49/83/77/508498377.db2.gz UADBYYYUSACDEP-IRXDYDNUSA-N 1 1 351.454 2.545 10 30 FFEEMO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000117437024 508598439 /nfs/dbraw/zinc/59/84/39/508598439.db2.gz XZCWZMBSROMDOR-CYBMUJFWSA-N 1 1 350.850 2.786 10 30 FFEEMO CCOCC[N@H+]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000117437024 508598440 /nfs/dbraw/zinc/59/84/40/508598440.db2.gz XZCWZMBSROMDOR-CYBMUJFWSA-N 1 1 350.850 2.786 10 30 FFEEMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000157746014 508605763 /nfs/dbraw/zinc/60/57/63/508605763.db2.gz OOFUWJOHRPIAIT-INIZCTEOSA-N 1 1 356.426 2.592 10 30 FFEEMO C[NH+](C)C[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000156245717 509149149 /nfs/dbraw/zinc/14/91/49/509149149.db2.gz AXKCTHCWXZFEQH-MRXNPFEDSA-N 1 1 363.870 2.793 10 30 FFEEMO C=CCOc1ccc(C[N@H+]2CCCN(Cc3cnn(C)c3)CC2)cc1OC ZINC000121574592 509178811 /nfs/dbraw/zinc/17/88/11/509178811.db2.gz OFXIPFSSCQJLEB-UHFFFAOYSA-N 1 1 370.497 2.701 10 30 FFEEMO C=CCOc1ccc(CN2CCC[N@H+](Cc3cnn(C)c3)CC2)cc1OC ZINC000121574592 509178812 /nfs/dbraw/zinc/17/88/12/509178812.db2.gz OFXIPFSSCQJLEB-UHFFFAOYSA-N 1 1 370.497 2.701 10 30 FFEEMO C=CCOc1ccc(CN2CCC[N@@H+](Cc3cnn(C)c3)CC2)cc1OC ZINC000121574592 509178813 /nfs/dbraw/zinc/17/88/13/509178813.db2.gz OFXIPFSSCQJLEB-UHFFFAOYSA-N 1 1 370.497 2.701 10 30 FFEEMO Cc1ccc(N(CCC#N)C(=O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C ZINC000248199159 509259137 /nfs/dbraw/zinc/25/91/37/509259137.db2.gz YBRNIJYILWHHLF-FPOVZHCZSA-N 1 1 368.525 2.966 10 30 FFEEMO C=CCc1cc(C[N@H+]2CCCN(Cc3noc(C)n3)CC2)cc(OC)c1O ZINC000179211718 509321525 /nfs/dbraw/zinc/32/15/25/509321525.db2.gz KWPMETCFGUNAEY-UHFFFAOYSA-N 1 1 372.469 2.529 10 30 FFEEMO CC1([C@@H]2CCC[N@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)OCCO1 ZINC000248476495 509337791 /nfs/dbraw/zinc/33/77/91/509337791.db2.gz YIHOLXLKKYIFOC-MJGOQNOKSA-N 1 1 369.465 2.529 10 30 FFEEMO C[N@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000192158470 509379124 /nfs/dbraw/zinc/37/91/24/509379124.db2.gz RVMRSEQLTQOPBN-SFHVURJKSA-N 1 1 371.481 2.826 10 30 FFEEMO C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000192158470 509379131 /nfs/dbraw/zinc/37/91/31/509379131.db2.gz RVMRSEQLTQOPBN-SFHVURJKSA-N 1 1 371.481 2.826 10 30 FFEEMO C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248661518 509424413 /nfs/dbraw/zinc/42/44/13/509424413.db2.gz XDYQLUAVGFYNPA-ICSRJNTNSA-N 1 1 358.530 2.648 10 30 FFEEMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000248661518 509424420 /nfs/dbraw/zinc/42/44/20/509424420.db2.gz XDYQLUAVGFYNPA-ICSRJNTNSA-N 1 1 358.530 2.648 10 30 FFEEMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000248661518 509424424 /nfs/dbraw/zinc/42/44/24/509424424.db2.gz XDYQLUAVGFYNPA-ICSRJNTNSA-N 1 1 358.530 2.648 10 30 FFEEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000245425918 509924727 /nfs/dbraw/zinc/92/47/27/509924727.db2.gz KXVXJXGXADMONH-GJZGRUSLSA-N 1 1 372.538 2.996 10 30 FFEEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)CSCc1ccc(C#N)cc1 ZINC000177194669 509931176 /nfs/dbraw/zinc/93/11/76/509931176.db2.gz FIEJNHHQGSSZBO-GOSISDBHSA-N 1 1 354.479 2.988 10 30 FFEEMO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000171604519 510248064 /nfs/dbraw/zinc/24/80/64/510248064.db2.gz SYUWSBUNTCLTEB-QGZVFWFLSA-N 1 1 365.399 2.937 10 30 FFEEMO CC[C@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CC[N@H+]1C[C@H](C)O ZINC000246126774 510307935 /nfs/dbraw/zinc/30/79/35/510307935.db2.gz DVZHEGKUCDDXKI-YJBOKZPZSA-N 1 1 354.416 2.834 10 30 FFEEMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000171891663 510431301 /nfs/dbraw/zinc/43/13/01/510431301.db2.gz LCBHGUHXGYMYRF-IBGZPJMESA-N 1 1 368.481 2.813 10 30 FFEEMO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1nnc2n1CCCC2 ZINC000181834891 510618366 /nfs/dbraw/zinc/61/83/66/510618366.db2.gz WXQUHSYDGUUQII-INIZCTEOSA-N 1 1 364.497 2.801 10 30 FFEEMO N#Cc1ccccc1NC(=O)CC[N@@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246707019 510627062 /nfs/dbraw/zinc/62/70/62/510627062.db2.gz NGIBGEQAOMMNMM-BEFAXECRSA-N 1 1 371.387 2.973 10 30 FFEEMO N#Cc1ccccc1NC(=O)CC[N@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246707019 510627069 /nfs/dbraw/zinc/62/70/69/510627069.db2.gz NGIBGEQAOMMNMM-BEFAXECRSA-N 1 1 371.387 2.973 10 30 FFEEMO C#CCC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191583834 510737321 /nfs/dbraw/zinc/73/73/21/510737321.db2.gz TXRSSSWUWHTZOL-MRXNPFEDSA-N 1 1 350.503 2.691 10 30 FFEEMO C#CCC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191583834 510737329 /nfs/dbraw/zinc/73/73/29/510737329.db2.gz TXRSSSWUWHTZOL-MRXNPFEDSA-N 1 1 350.503 2.691 10 30 FFEEMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000246921652 510748260 /nfs/dbraw/zinc/74/82/60/510748260.db2.gz HXRMYZWIHZXUCY-JKSUJKDBSA-N 1 1 369.444 2.684 10 30 FFEEMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)cc1 ZINC000247642064 510867545 /nfs/dbraw/zinc/86/75/45/510867545.db2.gz TVWRGIPKLMJLMK-SJBKTWHCSA-N 1 1 366.461 2.886 10 30 FFEEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000247813237 510870998 /nfs/dbraw/zinc/87/09/98/510870998.db2.gz VNJXLVZWOWLIGD-OALUTQOASA-N 1 1 363.465 2.851 10 30 FFEEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000247813237 510870999 /nfs/dbraw/zinc/87/09/99/510870999.db2.gz VNJXLVZWOWLIGD-OALUTQOASA-N 1 1 363.465 2.851 10 30 FFEEMO C[C@H](C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C)[N@@H+]1CCc2ccccc2C1 ZINC000330339586 510969730 /nfs/dbraw/zinc/96/97/30/510969730.db2.gz WVGMXSAAHFBLAE-OXFYSEKESA-N 1 1 368.481 2.901 10 30 FFEEMO C[C@H](C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C)[N@H+]1CCc2ccccc2C1 ZINC000330339586 510969733 /nfs/dbraw/zinc/96/97/33/510969733.db2.gz WVGMXSAAHFBLAE-OXFYSEKESA-N 1 1 368.481 2.901 10 30 FFEEMO CN(Cc1cc(F)ccc1C#N)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000328631914 511901295 /nfs/dbraw/zinc/90/12/95/511901295.db2.gz KYIIRVPYPNAAPB-OXJNMPFZSA-N 1 1 355.461 2.946 10 30 FFEEMO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CSCN2C(=O)C2CCC2)C1 ZINC000329195607 512002369 /nfs/dbraw/zinc/00/23/69/512002369.db2.gz VJZYZMKQRZSMLP-GDBMZVCRSA-N 1 1 353.532 2.765 10 30 FFEEMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329427731 512045138 /nfs/dbraw/zinc/04/51/38/512045138.db2.gz GWZFLOJYCBHBNL-KZNAEPCWSA-N 1 1 356.470 2.616 10 30 FFEEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)C1 ZINC000329799332 512098776 /nfs/dbraw/zinc/09/87/76/512098776.db2.gz IDOWQPAUVYZYEG-PMPSAXMXSA-N 1 1 361.534 2.728 10 30 FFEEMO CN(Cc1ccc(F)cc1C#N)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cncn1C ZINC000583620140 519344630 /nfs/dbraw/zinc/34/46/30/519344630.db2.gz FQJZDVZMBSMRTI-OXJNMPFZSA-N 1 1 355.461 2.946 10 30 FFEEMO Cn1cncc1[C@H]1[C@H](C[N@H+](C)Cc2ccc(F)cc2C#N)CCCN1C ZINC000583620140 519344638 /nfs/dbraw/zinc/34/46/38/519344638.db2.gz FQJZDVZMBSMRTI-OXJNMPFZSA-N 1 1 355.461 2.946 10 30 FFEEMO Cn1cncc1[C@H]1[C@H](C[N@@H+](C)Cc2ccc(F)cc2C#N)CCCN1C ZINC000583620140 519344643 /nfs/dbraw/zinc/34/46/43/519344643.db2.gz FQJZDVZMBSMRTI-OXJNMPFZSA-N 1 1 355.461 2.946 10 30 FFEEMO