smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1ncc(Cl)c(C(=O)N[C@H](CN(C)C)c2ccccc2)n1 ZINC000030028334 727899859 /nfs/dbraw/zinc/89/98/59/727899859.db2.gz DUPLMSOWWQJQKW-CYBMUJFWSA-N 0 3 350.875 2.885 10 0 FFAEHN COC(=O)[C@@H]1C[C@@H](N(C)C)CN1C/C(C)=C\c1cc(Cl)ccc1O ZINC000096841013 728481486 /nfs/dbraw/zinc/48/14/86/728481486.db2.gz VNZHWUUWVFQFMJ-GFHCOZARSA-N 0 3 352.862 2.626 10 0 FFAEHN Cc1cc(C)nc(SCC(=O)N[C@@H](C)CN(C)Cc2ccccc2)n1 ZINC000179720529 729192983 /nfs/dbraw/zinc/19/29/83/729192983.db2.gz LFEWGZHEIYFGES-INIZCTEOSA-N 0 3 358.511 2.822 10 0 FFAEHN CCN1CCC[C@@H]1CN(C)S(=O)(=O)C1=Cc2cc(OC)ccc2CC1 ZINC000186127121 729360963 /nfs/dbraw/zinc/36/09/63/729360963.db2.gz PECVJAPJZWXVSB-QGZVFWFLSA-N 0 3 364.511 2.728 10 0 FFAEHN CCCN1CCN(c2ccc(NC(=O)[C@H]3C[C@H](F)CN3)cc2Cl)CC1 ZINC000188797664 729391664 /nfs/dbraw/zinc/39/16/64/729391664.db2.gz ABTKLUGIXGIZIW-XJKSGUPXSA-N 0 3 368.884 2.511 10 0 FFAEHN CC(C)c1nnc(CN[C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)n1C ZINC000191911596 729420259 /nfs/dbraw/zinc/42/02/59/729420259.db2.gz XFXUDOXNHJOARG-ZIAGYGMSSA-N 0 3 351.495 2.722 10 0 FFAEHN CCN1CCC[C@H](NC(=O)N2CCC(O)(c3ccccc3Cl)CC2)C1 ZINC000192440052 729425300 /nfs/dbraw/zinc/42/53/00/729425300.db2.gz WQKDDLGTVSDHBO-HNNXBMFYSA-N 0 3 365.905 2.817 10 0 FFAEHN O=C(NCC1(N2CCSCC2)CCCC1)N[C@H]1COc2ccccc21 ZINC000195196710 729532282 /nfs/dbraw/zinc/53/22/82/729532282.db2.gz MLKRKNXPSWMAQY-INIZCTEOSA-N 0 3 361.511 2.781 10 0 FFAEHN C[C@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000248480209 729605496 /nfs/dbraw/zinc/60/54/96/729605496.db2.gz AMJLOEIMMYGCAX-ZWKOTPCHSA-N 0 3 360.523 2.959 10 0 FFAEHN CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000637901956 729996518 /nfs/dbraw/zinc/99/65/18/729996518.db2.gz OKWGTGSZRDBFDS-JYJNAYRXSA-N 0 3 357.420 2.683 10 0 FFAEHN C[C@H](NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccc(F)cc1F ZINC000702768677 734356703 /nfs/dbraw/zinc/35/67/03/734356703.db2.gz SCUKSHXSZCUWAO-MKBNYLNASA-N 0 3 356.413 2.843 10 0 FFAEHN Cc1cccc(CN(CCN2CCOCC2)C[C@@H](O)Cc2ccccc2)c1 ZINC000036098593 205005770 /nfs/dbraw/zinc/00/57/70/205005770.db2.gz PYUYQKYFMACHSX-QHCPKHFHSA-N 0 3 368.521 2.733 10 0 FFAEHN COCC[C@H](N)C(=O)Nc1cc(Br)ccc1Br ZINC000052807950 205187447 /nfs/dbraw/zinc/18/74/47/205187447.db2.gz AYYNGCULHIEFAP-VIFPVBQESA-N 0 3 366.053 2.514 10 0 FFAEHN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C[C@@H](O)COCc1ccccc1 ZINC000025234091 249337719 /nfs/dbraw/zinc/33/77/19/249337719.db2.gz VWCAUVHZQZLMIE-LAUBAEHRSA-N 0 3 366.465 2.838 10 0 FFAEHN CCN1CCN([C@@H]2CCN(Cc3cccn3Cc3cccs3)C2)CC1 ZINC000093132694 250018635 /nfs/dbraw/zinc/01/86/35/250018635.db2.gz HAHFNZNQEZWDEE-LJQANCHMSA-N 0 3 358.555 2.810 10 0 FFAEHN O=C(NCC1CCN(c2ccncc2)CC1)N[C@H]1COc2ccccc21 ZINC000093122593 250018896 /nfs/dbraw/zinc/01/88/96/250018896.db2.gz LXZZHURYWLYJAH-SFHVURJKSA-N 0 3 352.438 2.731 10 0 FFAEHN CN(C)C(=O)COc1ccccc1CN1CCC[C@@H](c2nccs2)C1 ZINC000092788784 250003658 /nfs/dbraw/zinc/00/36/58/250003658.db2.gz QBBAMLRGXJJRQB-MRXNPFEDSA-N 0 3 359.495 2.990 10 0 FFAEHN CCOc1cc(CN2CCC(c3ccnn3CCO)CC2)ccc1OC ZINC000092811205 250003744 /nfs/dbraw/zinc/00/37/44/250003744.db2.gz SKODMWCSGVJFPF-UHFFFAOYSA-N 0 3 359.470 2.662 10 0 FFAEHN CCN1CCCC[C@@H]1C(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000104327637 250173878 /nfs/dbraw/zinc/17/38/78/250173878.db2.gz BQPFLMUZKDEUGE-HXUWFJFHSA-N 0 3 369.509 2.689 10 0 FFAEHN CN(C)[C@@H]1CCCN(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)C1 ZINC000105226122 250205936 /nfs/dbraw/zinc/20/59/36/250205936.db2.gz ALCHMHZZUQKGRW-QGZVFWFLSA-N 0 3 360.433 2.759 10 0 FFAEHN CC[C@@H]1CN(CCC(=O)Nc2ccccc2SC)CCN1CCOC ZINC000106114583 250237110 /nfs/dbraw/zinc/23/71/10/250237110.db2.gz VGNBIZTXGWBQTI-MRXNPFEDSA-N 0 3 365.543 2.780 10 0 FFAEHN CN(CC(=O)c1cccn1C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000106127887 250240597 /nfs/dbraw/zinc/24/05/97/250240597.db2.gz IVTHTWNUGCQSSC-NRFANRHFSA-N 0 3 369.509 2.585 10 0 FFAEHN Cn1cc(CN2CCCN(Cc3cccc(OC(F)F)c3)CC2)cn1 ZINC000106154646 250244591 /nfs/dbraw/zinc/24/45/91/250244591.db2.gz ZPHVQQOAZXTMGH-UHFFFAOYSA-N 0 3 350.413 2.729 10 0 FFAEHN CCN(C(=O)CN1CCC[C@H](Cn2cncn2)C1)[C@H](C)c1ccc(F)cc1 ZINC000106172241 250248351 /nfs/dbraw/zinc/24/83/51/250248351.db2.gz IGROBHHNLINYQN-SJORKVTESA-N 0 3 373.476 2.739 10 0 FFAEHN CN(C(=O)[C@@H]1CSc2ccccc21)C1CCN(CCn2cccn2)CC1 ZINC000118337861 250383164 /nfs/dbraw/zinc/38/31/64/250383164.db2.gz CPSTUCSGYFWJEY-GOSISDBHSA-N 0 3 370.522 2.695 10 0 FFAEHN Cc1nc(C)n(-c2ccccc2NC(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)n1 ZINC000131773330 251018157 /nfs/dbraw/zinc/01/81/57/251018157.db2.gz OMINTNOLJZGOJD-SUMWQHHRSA-N 0 3 356.474 2.734 10 0 FFAEHN CC(C)(C)c1nn(-c2ccccc2)cc1CN[C@H]1CCc2ncnn2C1 ZINC000132224018 251057196 /nfs/dbraw/zinc/05/71/96/251057196.db2.gz MRBBNJRIAGNOMR-INIZCTEOSA-N 0 3 350.470 2.866 10 0 FFAEHN CC(C)[C@@H](CN(C)Cc1ccccc1)Nc1nn2c(nccc2=O)s1 ZINC000302222327 258096368 /nfs/dbraw/zinc/09/63/68/258096368.db2.gz OKWTUBURPLZNMC-OAHLLOKOSA-N 0 3 357.483 2.720 10 0 FFAEHN CCCN1CCCN(c2nn3c(nnc3C(F)(F)F)c(C)c2C)CC1 ZINC000301665572 258061877 /nfs/dbraw/zinc/06/18/77/258061877.db2.gz LUTRAGVSUZFZBL-UHFFFAOYSA-N 0 3 356.396 2.682 10 0 FFAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC000328777974 258120428 /nfs/dbraw/zinc/12/04/28/258120428.db2.gz IOOBKGCTHXNUEV-ZWKOTPCHSA-N 0 3 358.486 2.651 10 0 FFAEHN CC[C@@H]1CCCCN1C(=O)[C@H](C)N[C@@H]1CCCN(c2ccc(C)nn2)C1 ZINC000329540224 258141426 /nfs/dbraw/zinc/14/14/26/258141426.db2.gz MZAVJLNKQJSPEH-RCCFBDPRSA-N 0 3 359.518 2.523 10 0 FFAEHN C[C@H]1CN2CCCC[C@@H]2CN1Cc1nc(COc2ccc(F)cc2)no1 ZINC000329661854 258144431 /nfs/dbraw/zinc/14/44/31/258144431.db2.gz PCXQTNPFYJCIMH-GOEBONIOSA-N 0 3 360.433 2.846 10 0 FFAEHN O=C(NC[C@@H](O)CN1CCCCC1)Nc1ccc(F)cc1Br ZINC000048452328 507523602 /nfs/dbraw/zinc/52/36/02/507523602.db2.gz NFZCPUCRZABWEJ-GFCCVEGCSA-N 0 3 374.254 2.557 10 0 FFAEHN CN(C)C[C@H](NC(=O)NCCN1CCc2sccc2C1)c1ccccc1 ZINC000054686134 506603888 /nfs/dbraw/zinc/60/38/88/506603888.db2.gz WIVJXUSOKWZTLE-SFHVURJKSA-N 0 3 372.538 2.708 10 0 FFAEHN CCN1CCN(c2ccc(NC(=O)N[C@H](C)[C@H]3CCCO3)c(C)c2)CC1 ZINC000043522126 506754377 /nfs/dbraw/zinc/75/43/77/506754377.db2.gz FQRZUMPTUZBGKH-VQIMIIECSA-N 0 3 360.502 2.826 10 0 FFAEHN CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)c1csnn1 ZINC000012385279 506857342 /nfs/dbraw/zinc/85/73/42/506857342.db2.gz BCJBGZIRZREIAV-AWEZNQCLSA-N 0 3 362.474 2.704 10 0 FFAEHN COc1cc(CNC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)ccn1 ZINC000067569607 506931633 /nfs/dbraw/zinc/93/16/33/506931633.db2.gz HDQKUPCEOUCTJM-IBGZPJMESA-N 0 3 368.481 2.944 10 0 FFAEHN CC(C)Oc1ccc([C@H](C)NC(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000046067084 507070935 /nfs/dbraw/zinc/07/09/35/507070935.db2.gz MDNNCQOUHYSGQD-WMZOPIPTSA-N 0 3 363.502 2.681 10 0 FFAEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCOc2ccccc21 ZINC000057203329 507203151 /nfs/dbraw/zinc/20/31/51/507203151.db2.gz TVQJTIKCYGMJDC-MJGOQNOKSA-N 0 3 353.466 2.982 10 0 FFAEHN COCc1cc(=O)[n-]c(-c2ccccc2C[N@H+](C)CCc2ccccn2)n1 ZINC000023505795 507357449 /nfs/dbraw/zinc/35/74/49/507357449.db2.gz ZZIYBSZILVNFBA-UHFFFAOYSA-N 0 3 364.449 2.653 10 0 FFAEHN COCc1cc(=O)[n-]c(-c2ccccc2C[N@@H+](C)CCc2ccccn2)n1 ZINC000023505795 507357456 /nfs/dbraw/zinc/35/74/56/507357456.db2.gz ZZIYBSZILVNFBA-UHFFFAOYSA-N 0 3 364.449 2.653 10 0 FFAEHN C[C@H](CC(=O)N[C@H](CN(C)C)c1ccccc1)NC(=O)c1ccccc1 ZINC000024276836 507400945 /nfs/dbraw/zinc/40/09/45/507400945.db2.gz AVXOBYDOLLAWIT-VQIMIIECSA-N 0 3 353.466 2.614 10 0 FFAEHN CC(=O)N[C@H](CC(=O)N[C@H](CN(C)C)c1ccccc1)c1ccc(C)cc1 ZINC000024276777 507402156 /nfs/dbraw/zinc/40/21/56/507402156.db2.gz LKXZECRZMLJCDA-NHCUHLMSSA-N 0 3 367.493 2.981 10 0 FFAEHN CCN1CCC[C@H](NC(=O)NCc2ccc(OC)c(OC(F)F)c2)C1 ZINC000052524074 507812574 /nfs/dbraw/zinc/81/25/74/507812574.db2.gz XTBRYJKOFSGDEU-ZDUSSCGKSA-N 0 3 357.401 2.580 10 0 FFAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(N2CCCC2=O)ccc1Cl ZINC000089827342 507871459 /nfs/dbraw/zinc/87/14/59/507871459.db2.gz XLINFOVEHLHKTQ-UKRRQHHQSA-N 0 3 361.873 2.776 10 0 FFAEHN CN(C(=O)c1ccc2c(c1)CCC2)C1CCN(CCn2cccn2)CC1 ZINC000109292882 507952909 /nfs/dbraw/zinc/95/29/09/507952909.db2.gz ZZRWEXQNKXRKFV-UHFFFAOYSA-N 0 3 352.482 2.608 10 0 FFAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000079496071 507967981 /nfs/dbraw/zinc/96/79/81/507967981.db2.gz IFOWSXSSYVPSDU-QGZVFWFLSA-N 0 3 372.517 2.595 10 0 FFAEHN Cc1ccc([C@H](C)CNC(=O)N2CCCC[C@@H](N3CCN(C)CC3)C2)cc1 ZINC000091857014 508019561 /nfs/dbraw/zinc/01/95/61/508019561.db2.gz FPUCLIRSLYLKNV-TZIWHRDSSA-N 0 3 372.557 2.910 10 0 FFAEHN CC(=O)NCc1ccc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)s1 ZINC000110355108 508022863 /nfs/dbraw/zinc/02/28/63/508022863.db2.gz YNHIKOSTGAXLMR-AWEZNQCLSA-N 0 3 359.495 2.635 10 0 FFAEHN CC(C)c1nn(C)c(Cl)c1CN1CCC(N2CCO[C@H](C)C2)CC1 ZINC000092079509 508041621 /nfs/dbraw/zinc/04/16/21/508041621.db2.gz CLJAPKNEAPSTRT-CQSZACIVSA-N 0 3 354.926 2.882 10 0 FFAEHN C[C@H](NC(=O)N(C)C[C@H]1CCCN(C)C1)c1cccc(-n2ccnc2)c1 ZINC000074875940 508066764 /nfs/dbraw/zinc/06/67/64/508066764.db2.gz BOTAPRAUYRJYLL-IRXDYDNUSA-N 0 3 355.486 2.917 10 0 FFAEHN CC(C)[C@@H](N)C(=O)N1CCC2(CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000095088020 508173303 /nfs/dbraw/zinc/17/33/03/508173303.db2.gz ZNMDVFAZRQYJFQ-GOSISDBHSA-N 0 3 373.497 2.621 10 0 FFAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cccc(I)c1 ZINC000096537336 508214500 /nfs/dbraw/zinc/21/45/00/508214500.db2.gz KHPZIPQYMVPBLV-SMDDNHRTSA-N 0 3 370.234 2.600 10 0 FFAEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000112744134 508219154 /nfs/dbraw/zinc/21/91/54/508219154.db2.gz GCFNFHFYFNHSLJ-DLBZAZTESA-N 0 3 368.566 2.547 10 0 FFAEHN COc1ccc(Br)c(C(=O)N2C[C@H]3CCCN3C[C@H]2C)c1 ZINC000083550355 508247546 /nfs/dbraw/zinc/24/75/46/508247546.db2.gz XKKHUTHXAZOKIM-VXGBXAGGSA-N 0 3 353.260 2.766 10 0 FFAEHN CCN(CC)[C@@H](CNC(=O)N[C@@H]1CCCn2nc(C)nc21)c1ccccc1 ZINC000083694456 508252271 /nfs/dbraw/zinc/25/22/71/508252271.db2.gz RSLYFLPLZWKKGT-MSOLQXFVSA-N 0 3 370.501 2.804 10 0 FFAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C1CCC(NC(=O)C2CCCC2)CC1 ZINC000113224269 508252410 /nfs/dbraw/zinc/25/24/10/508252410.db2.gz TXQQKLDFCMRDBV-GWFLUQINSA-N 0 3 361.530 2.547 10 0 FFAEHN CC(C)C[C@@H](CN(C)C)NC(=O)NCc1nccn1CCc1ccccc1 ZINC000083710905 508252985 /nfs/dbraw/zinc/25/29/85/508252985.db2.gz CFLXUCWEZYRHSQ-IBGZPJMESA-N 0 3 371.529 2.901 10 0 FFAEHN CSc1nccn1-c1ccc(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1 ZINC000113229942 508253316 /nfs/dbraw/zinc/25/33/16/508253316.db2.gz ODXVXCUFLRPTCE-WMLDXEAASA-N 0 3 356.495 2.903 10 0 FFAEHN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000083723462 508254778 /nfs/dbraw/zinc/25/47/78/508254778.db2.gz HAFROQUSBLBVDM-PBHICJAKSA-N 0 3 370.501 2.850 10 0 FFAEHN CC(C)CN(C(=O)[C@@H](C)NC(=O)Nc1ccccc1)C1CCN(C)CC1 ZINC000113447425 508268583 /nfs/dbraw/zinc/26/85/83/508268583.db2.gz CHBXJQQOJBMJPZ-MRXNPFEDSA-N 0 3 360.502 2.775 10 0 FFAEHN CC(C)Cc1ccc([C@H](C)NCC(=O)NC(=O)NCC(F)(F)F)cc1 ZINC000102685593 508281756 /nfs/dbraw/zinc/28/17/56/508281756.db2.gz HXQBZNRDNOIOGM-LBPRGKRZSA-N 0 3 359.392 2.924 10 0 FFAEHN CC(=O)N[C@H]1CCCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000077169925 508283483 /nfs/dbraw/zinc/28/34/83/508283483.db2.gz LWRHQLUETIDJGN-ZDUSSCGKSA-N 0 3 358.269 2.923 10 0 FFAEHN COc1cccc(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)c1[O-] ZINC000103204828 508301855 /nfs/dbraw/zinc/30/18/55/508301855.db2.gz XEWQEVFXHOSJEQ-UHFFFAOYSA-N 0 3 358.438 2.661 10 0 FFAEHN C[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000114413996 508311061 /nfs/dbraw/zinc/31/10/61/508311061.db2.gz FXVMLDFBNKADPC-SFHVURJKSA-N 0 3 366.509 2.671 10 0 FFAEHN Cc1cc(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)sc1C ZINC000114413840 508311177 /nfs/dbraw/zinc/31/11/77/508311177.db2.gz GUIMTKZXWQYGTC-UHFFFAOYSA-N 0 3 358.511 2.784 10 0 FFAEHN CN(C)Cc1ccc(N2CCN(C(=O)c3coc4ccccc34)CC2)nc1 ZINC000114415447 508311686 /nfs/dbraw/zinc/31/16/86/508311686.db2.gz 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C[C@@H](Oc1cccc(C=O)c1)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000089393586 507835684 /nfs/dbraw/zinc/83/56/84/507835684.db2.gz WQCAIXLFROPOKA-MRXNPFEDSA-N 0 3 367.449 2.694 10 0 FFAEHN CN(C)CCOc1ccc(CNC(=O)c2ccc(-c3ncon3)cc2)cc1 ZINC000107245829 507839224 /nfs/dbraw/zinc/83/92/24/507839224.db2.gz YUISHDGULFUDSL-UHFFFAOYSA-N 0 3 366.421 2.607 10 0 FFAEHN CCn1cc(NC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)ccc1=O ZINC000072733225 507849181 /nfs/dbraw/zinc/84/91/81/507849181.db2.gz SXHQKHIPOFVWOF-IBGZPJMESA-N 0 3 368.481 2.997 10 0 FFAEHN CN(C)[C@@H]1CCN(C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)C1 ZINC000107821619 507868583 /nfs/dbraw/zinc/86/85/83/507868583.db2.gz WRRDTNXLTGCVCM-CABCVRRESA-N 0 3 351.422 2.551 10 0 FFAEHN Cc1noc(CSc2ccccc2C(=O)NC[C@H]2CCCN(C)C2)n1 ZINC000108345504 507888826 /nfs/dbraw/zinc/88/88/26/507888826.db2.gz TVLBSJPCVFKNLB-CQSZACIVSA-N 0 3 360.483 2.742 10 0 FFAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000090049767 507904249 /nfs/dbraw/zinc/90/42/49/507904249.db2.gz ZFLCJFSXFKXCIY-GDBMZVCRSA-N 0 3 364.436 2.708 10 0 FFAEHN CN1CCC[C@@H](CNC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000108590576 507906908 /nfs/dbraw/zinc/90/69/08/507906908.db2.gz SMCNYPMYTHCLRF-YOEHRIQHSA-N 0 3 351.878 2.765 10 0 FFAEHN COc1ccccc1O[C@@H](C)CNC(=O)N[C@H](CC(C)C)CN(C)C ZINC000073722872 507948885 /nfs/dbraw/zinc/94/88/85/507948885.db2.gz LQHVKAWMMGPSGA-JKSUJKDBSA-N 0 3 351.491 2.738 10 0 FFAEHN C[C@@H]1CCC[C@@H](NC(=O)N(C)C2CCN(CCn3cccn3)CC2)[C@@H]1C ZINC000109391352 507959955 /nfs/dbraw/zinc/95/99/55/507959955.db2.gz OJVZJBDNTMGMTP-ZHALLVOQSA-N 0 3 361.534 2.814 10 0 FFAEHN C[C@H]1CCC[C@H](CNC(=O)N(C)C2CCN(CCn3cccn3)CC2)C1 ZINC000109396090 507960300 /nfs/dbraw/zinc/96/03/00/507960300.db2.gz GHNYPZKGMFZBFJ-ROUUACIJSA-N 0 3 361.534 2.815 10 0 FFAEHN Cc1cc(C)cc(NC(=O)[C@H](C)N2CCC(N3CCO[C@H](C)C3)CC2)c1 ZINC000079490600 507967429 /nfs/dbraw/zinc/96/74/29/507967429.db2.gz WNIJWDWABBARPH-MSOLQXFVSA-N 0 3 359.514 2.816 10 0 FFAEHN Cc1ccc(NC(=O)[C@@H](C)N2CCC(N3CCO[C@H](C)C3)CC2)cc1F ZINC000079489702 507967528 /nfs/dbraw/zinc/96/75/28/507967528.db2.gz NURHFGMFLGUDPP-HZPDHXFCSA-N 0 3 363.477 2.646 10 0 FFAEHN C[C@@H](N[C@@H](C)c1cccc(-n2ccnc2)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000091349405 507981644 /nfs/dbraw/zinc/98/16/44/507981644.db2.gz GXTPWSVBZRYVOS-CABCVRRESA-N 0 3 370.478 2.932 10 0 FFAEHN CCCn1nccc1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000109742161 507984171 /nfs/dbraw/zinc/98/41/71/507984171.db2.gz OSTYKPHICAVQSR-UHFFFAOYSA-N 0 3 355.486 2.834 10 0 FFAEHN CN1CCN([C@@H]2CCCCN(C(=O)NCc3cc4ccccc4o3)C2)CC1 ZINC000091846992 508018687 /nfs/dbraw/zinc/01/86/87/508018687.db2.gz BGELPASVAKDYTL-GOSISDBHSA-N 0 3 370.497 2.744 10 0 FFAEHN CC(=O)NCc1ccc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)s1 ZINC000110355111 508022830 /nfs/dbraw/zinc/02/28/30/508022830.db2.gz YNHIKOSTGAXLMR-CQSZACIVSA-N 0 3 359.495 2.635 10 0 FFAEHN CCN1CCN(C[C@H](C)CNC(=O)N2CC=C(c3ccccc3)CC2)CC1 ZINC000074660402 508044674 /nfs/dbraw/zinc/04/46/74/508044674.db2.gz PUULCKOHCAMPEE-LJQANCHMSA-N 0 3 370.541 2.759 10 0 FFAEHN O=C1CCCN1C[C@H](O)CN(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000111682454 508115838 /nfs/dbraw/zinc/11/58/38/508115838.db2.gz CSGJHEAWZKUGSO-INIZCTEOSA-N 0 3 356.388 2.653 10 0 FFAEHN Cn1cc(N2CCC[C@H](N3CCC[C@@H]3C[C@H](O)c3ccccc3)C2=O)cn1 ZINC000076076059 508156050 /nfs/dbraw/zinc/15/60/50/508156050.db2.gz DYQDXIRDXVMJNV-HOJAQTOUSA-N 0 3 368.481 2.504 10 0 FFAEHN CC(C)c1nc2n(n1)C[C@H](N[C@H](C)C(=O)Nc1ccc(Cl)cc1)CC2 ZINC000112551521 508195854 /nfs/dbraw/zinc/19/58/54/508195854.db2.gz BJHGXPWILMSUOF-IUODEOHRSA-N 0 3 361.877 2.987 10 0 FFAEHN CCc1nc2n(n1)C[C@@H](N[C@H](C)C(=O)Nc1cccc3ccccc31)CC2 ZINC000112550708 508196162 /nfs/dbraw/zinc/19/61/62/508196162.db2.gz OWRUAFPGVKQFAK-ZBFHGGJFSA-N 0 3 363.465 2.925 10 0 FFAEHN Cn1cc(CNC[C@H]2Cn3c(-c4ccc(Cl)cc4)cnc3CO2)cn1 ZINC000096296366 508213223 /nfs/dbraw/zinc/21/32/23/508213223.db2.gz UBWFAHVFRBJOCY-INIZCTEOSA-N 0 3 357.845 2.626 10 0 biogenic FFAEHN Cc1cc(S(=O)(=O)N2C[C@H]3CCCN3C[C@@H]2C)ccc1Br ZINC000096537649 508214817 /nfs/dbraw/zinc/21/48/17/508214817.db2.gz USKUCSZAJISBBC-QWHCGFSZSA-N 0 3 373.316 2.615 10 0 FFAEHN CCc1c(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cnn1-c1ccc(F)cc1 ZINC000113226239 508251877 /nfs/dbraw/zinc/25/18/77/508251877.db2.gz KPZPUBRYPTVJQJ-WMLDXEAASA-N 0 3 356.445 2.883 10 0 FFAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1sccc1NC(=O)c1ccncc1 ZINC000113222750 508252230 /nfs/dbraw/zinc/25/22/30/508252230.db2.gz RCSJFZOSZPCOBN-UKRRQHHQSA-N 0 3 370.478 2.704 10 0 FFAEHN CCc1c(C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cnn1Cc1ccccc1 ZINC000113226088 508252432 /nfs/dbraw/zinc/25/24/32/508252432.db2.gz PSDHGODABWEKRJ-FUHWJXTLSA-N 0 3 352.482 2.803 10 0 FFAEHN CCCC(=O)N[C@@H]1CCCN(C(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000101775898 508257172 /nfs/dbraw/zinc/25/71/72/508257172.db2.gz VEOBLJTZNPZXTO-LJQANCHMSA-N 0 3 374.529 2.599 10 0 FFAEHN COc1ccc(C[C@H](C)[NH2+]C[C@H](O)c2ccc([O-])c(NC(C)=O)c2)cc1 ZINC000077286537 508295985 /nfs/dbraw/zinc/29/59/85/508295985.db2.gz NRUIKCFITCCGOF-RBZFPXEDSA-N 0 3 358.438 2.613 10 0 in-vitro FFAEHN CN(C)Cc1ccc(N2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)nc1 ZINC000114415091 508311500 /nfs/dbraw/zinc/31/15/00/508311500.db2.gz QYDPBVHUEYZQCV-UHFFFAOYSA-N 0 3 364.493 2.594 10 0 FFAEHN C[C@@H]1CCC[C@@H](NC(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)C1 ZINC000114589369 508328304 /nfs/dbraw/zinc/32/83/04/508328304.db2.gz OYTFRNCBKFRQAC-SJLPKXTDSA-N 0 3 359.518 2.554 10 0 FFAEHN COc1ccccc1CCN(C)CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000104709687 508342762 /nfs/dbraw/zinc/34/27/62/508342762.db2.gz CHYQRPRGXSBDRQ-UHFFFAOYSA-N 0 3 356.422 2.927 10 0 FFAEHN O=C(NC[C@H](c1cccs1)N1CCCC1)NC[C@@H](O)Cc1ccccc1 ZINC000105083541 508359574 /nfs/dbraw/zinc/35/95/74/508359574.db2.gz DHGSPVKVUSJUSS-ZWKOTPCHSA-N 0 3 373.522 2.788 10 0 FFAEHN CC[C@H]1CN(Cc2ccc(OCC(F)(F)F)cc2)CCN1C[C@@H](C)O ZINC000106102139 508393225 /nfs/dbraw/zinc/39/32/25/508393225.db2.gz PXBXSMVQCLTTEZ-ZBFHGGJFSA-N 0 3 360.420 2.905 10 0 FFAEHN CN(C)[C@@H]1CCCN(C(=O)Cn2c3ccccc3nc2-c2cscn2)C1 ZINC000106364797 508399797 /nfs/dbraw/zinc/39/97/97/508399797.db2.gz RESPMVHXKXFNPW-CQSZACIVSA-N 0 3 369.494 2.712 10 0 FFAEHN Cc1ccc([C@H](CNC(=O)[C@@H](Cc2ccccc2)N(C)C)N(C)C)cc1 ZINC000106434302 508400835 /nfs/dbraw/zinc/40/08/35/508400835.db2.gz YJIWOXQIOXKRHN-RTWAWAEBSA-N 0 3 353.510 2.887 10 0 FFAEHN CCN1CCC[C@@H]1CN(C)C(=O)CSc1n[nH]c(-c2ccc(C)cc2)n1 ZINC000121775084 508415850 /nfs/dbraw/zinc/41/58/50/508415850.db2.gz HVXBZNIROBRWBO-MRXNPFEDSA-N 0 3 373.526 2.815 10 0 FFAEHN CNc1ncc(C(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000133783709 508449312 /nfs/dbraw/zinc/44/93/12/508449312.db2.gz ABSDSQSMXKYYNN-ZIAGYGMSSA-N 0 3 366.531 2.536 10 0 FFAEHN CC(C)N1CCCC[C@H]1C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000156691638 508463557 /nfs/dbraw/zinc/46/35/57/508463557.db2.gz AZISHNURKSEOCM-FQEVSTJZSA-N 0 3 371.525 2.918 10 0 FFAEHN CC(C)C[C@H](CN(C)C)NC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000127546199 508466567 /nfs/dbraw/zinc/46/65/67/508466567.db2.gz WWKKUSUVOBNCQW-NVXWUHKLSA-N 0 3 358.490 2.604 10 0 FFAEHN Cc1cc(OCCCC(=O)N2CCO[C@@H](CN(C)C)C2)ccc1Cl ZINC000116788485 508561471 /nfs/dbraw/zinc/56/14/71/508561471.db2.gz RCIIBESPPHXYAU-INIZCTEOSA-N 0 3 354.878 2.596 10 0 FFAEHN CN(C)C[C@H]1CN(C(=O)COc2ccc(Oc3ccccc3)cc2)CCO1 ZINC000116792010 508562163 /nfs/dbraw/zinc/56/21/63/508562163.db2.gz BLXMZSUOROYEOM-FQEVSTJZSA-N 0 3 370.449 2.647 10 0 FFAEHN CN(C)C[C@H]1CN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CCO1 ZINC000116794009 508562255 /nfs/dbraw/zinc/56/22/55/508562255.db2.gz MBPXAVNIQQNWON-INIZCTEOSA-N 0 3 356.491 2.916 10 0 FFAEHN COc1ccc(-c2ccc(C(=O)N3CCO[C@H](CN(C)C)C3)c(F)c2)cc1 ZINC000116795246 508563485 /nfs/dbraw/zinc/56/34/85/508563485.db2.gz CTBOTDVTYFYAFN-GOSISDBHSA-N 0 3 372.440 2.904 10 0 FFAEHN CCN1CCC[C@H]1CN(C)C(=O)NCc1ccccc1-n1ccc(C)n1 ZINC000122695796 508573958 /nfs/dbraw/zinc/57/39/58/508573958.db2.gz CJLBXBURZLHOCD-SFHVURJKSA-N 0 3 355.486 2.806 10 0 FFAEHN CCSc1ccc([C@H](C)NC(=O)N2CCO[C@H](CN(C)C)C2)cc1 ZINC000117045546 508577001 /nfs/dbraw/zinc/57/70/01/508577001.db2.gz KCIOSUSRELJXSD-GOEBONIOSA-N 0 3 351.516 2.832 10 0 FFAEHN CCSc1ccc([C@@H](C)NC(=O)N2CCO[C@H](CN(C)C)C2)cc1 ZINC000117045544 508577316 /nfs/dbraw/zinc/57/73/16/508577316.db2.gz KCIOSUSRELJXSD-GDBMZVCRSA-N 0 3 351.516 2.832 10 0 FFAEHN CCOc1c(OC)cc(CN2CCC[C@@H](Cn3cncn3)C2)cc1OC ZINC000128580801 508614247 /nfs/dbraw/zinc/61/42/47/508614247.db2.gz FUGJOYYFUXLYLS-OAHLLOKOSA-N 0 3 360.458 2.606 10 0 FFAEHN Cc1nn(-c2ccccc2)c(C)c1CN1CCC[C@@H](Cn2cncn2)C1 ZINC000128614330 508618657 /nfs/dbraw/zinc/61/86/57/508618657.db2.gz BHRIQKIOHULGAG-GOSISDBHSA-N 0 3 350.470 2.993 10 0 FFAEHN CCCC(=O)N[C@H]1CCCN(C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000158038147 508648278 /nfs/dbraw/zinc/64/82/78/508648278.db2.gz XIHWLCSMRWWMIS-DLBZAZTESA-N 0 3 372.431 2.990 10 0 FFAEHN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000153836372 508659317 /nfs/dbraw/zinc/65/93/17/508659317.db2.gz PHMSLVNZAPANTB-IRXDYDNUSA-N 0 3 370.501 2.839 10 0 FFAEHN COc1cc(NC(=O)CN[C@@H]2CCCC[C@@H]2n2cccn2)cc(OC)c1 ZINC000129081353 508680273 /nfs/dbraw/zinc/68/02/73/508680273.db2.gz WMERTWXBLRPUDH-MSOLQXFVSA-N 0 3 358.442 2.612 10 0 FFAEHN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000123457470 508690226 /nfs/dbraw/zinc/69/02/26/508690226.db2.gz OOMOXGXKKQDOKT-QAPCUYQASA-N 0 3 354.454 2.616 10 0 FFAEHN CCC[C@@H](C(=O)NCc1ccc(OCC(F)(F)F)c(OC)c1)N(C)C ZINC000136453129 508695617 /nfs/dbraw/zinc/69/56/17/508695617.db2.gz SGLCSQKIOLWRRC-ZDUSSCGKSA-N 0 3 362.392 2.983 10 0 FFAEHN Cc1cc(=O)oc2cc(OCCN3CC[C@@H](c4cnn(C)c4)C3)ccc12 ZINC000158413277 508700352 /nfs/dbraw/zinc/70/03/52/508700352.db2.gz PCKYWXSFZXGUJE-OAHLLOKOSA-N 0 3 353.422 2.703 10 0 FFAEHN Cc1cc(=O)oc2cc(OCCN3CC[C@H](c4cnn(C)c4)C3)ccc12 ZINC000158413129 508700689 /nfs/dbraw/zinc/70/06/89/508700689.db2.gz PCKYWXSFZXGUJE-HNNXBMFYSA-N 0 3 353.422 2.703 10 0 FFAEHN CO[C@H](C)c1cccc(NC(=O)C(=O)NC[C@H]2CCCN2CC(C)C)c1 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372.435 2.770 10 0 FFAEHN COc1ccc(NC(=O)[C@H](C)N2CCC[C@H]2Cn2ccnc2C)cc1OC ZINC000154545674 508806274 /nfs/dbraw/zinc/80/62/74/508806274.db2.gz GHTZSWCOTYJEAU-YOEHRIQHSA-N 0 3 372.469 2.700 10 0 FFAEHN CC(C)(C)N(CC(N)=O)C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000131265348 508907224 /nfs/dbraw/zinc/90/72/24/508907224.db2.gz UFGINBNDKIYOLA-IBGZPJMESA-N 0 3 370.493 2.739 10 0 FFAEHN Cc1ccc(N2CCC(N[C@H](C)CS(=O)(=O)c3ccccc3)CC2)nc1 ZINC000120110646 508930641 /nfs/dbraw/zinc/93/06/41/508930641.db2.gz LQZOYWAPBDBXSP-QGZVFWFLSA-N 0 3 373.522 2.811 10 0 FFAEHN COc1ccc(C)cc1NC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000125146103 508938286 /nfs/dbraw/zinc/93/82/86/508938286.db2.gz DZPCTSMLXAOSDE-KRWDZBQOSA-N 0 3 360.502 2.637 10 0 FFAEHN COC(=O)c1cc(NC(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c(F)cc1F ZINC000120195959 508948295 /nfs/dbraw/zinc/94/82/95/508948295.db2.gz HAHBWHLGGUKCGD-BMIGLBTASA-N 0 3 355.385 2.602 10 0 FFAEHN COCCOc1ccc(CN(C)[C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000120251438 508958563 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/nfs/dbraw/zinc/00/43/47/513004347.db2.gz MFABMFNUOHRCGV-QGZVFWFLSA-N 0 3 359.445 2.845 10 0 FFAEHN Cn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccc(Cl)c(Cl)c2)cn1 ZINC000275532499 527308780 /nfs/dbraw/zinc/30/87/80/527308780.db2.gz MARKUURTYUVYMX-ZBFHGGJFSA-N 0 3 353.253 2.836 10 0 FFAEHN CCCc1cnc(C)nc1N1CCC2(CC1)c1ccccc1[C@@H](N)[C@@H]2O ZINC000072158007 535436932 /nfs/dbraw/zinc/43/69/32/535436932.db2.gz BZNWHYFOKJZNEP-MOPGFXCFSA-N 0 3 352.482 2.650 10 0 FFAEHN CN(C)C[C@@H](NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccccc1 ZINC000029954262 535940634 /nfs/dbraw/zinc/94/06/34/535940634.db2.gz MXSBLZLEAIIKIL-UYAOXDASSA-N 0 3 365.477 2.997 10 0 FFAEHN CCOCCN1CCN(Cn2nnc3ccccc3c2=S)C[C@@H]1CC ZINC000152618845 728762630 /nfs/dbraw/zinc/76/26/30/728762630.db2.gz VBSUVMDSMJTDGP-HNNXBMFYSA-N 0 3 361.515 2.551 10 0 FFAEHN CN(CCN1CC[C@H](NC(=O)OC(C)(C)C)C1)Cc1ccc(F)cc1 ZINC000160323787 728920091 /nfs/dbraw/zinc/92/00/91/728920091.db2.gz LCIRAVJIXIWAGI-KRWDZBQOSA-N 0 3 351.466 2.857 10 0 FFAEHN 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CN(C)[C@H](C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1)c1ccccc1 ZINC000190579120 510219041 /nfs/dbraw/zinc/21/90/41/510219041.db2.gz FFPLRWVFMLVPBP-CTNGQTDRSA-N 0 3 366.509 2.665 10 0 FFAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cnc3ccccc3n2)C1 ZINC000190600247 510232861 /nfs/dbraw/zinc/23/28/61/510232861.db2.gz WRZBGULXTVVKFB-KRWDZBQOSA-N 0 3 361.449 2.619 10 0 FFAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@H]2OCCc3ccccc32)C1 ZINC000190606721 510236488 /nfs/dbraw/zinc/23/64/88/510236488.db2.gz SVBFUOLRJXIGPK-RXVVDRJESA-N 0 3 365.477 2.676 10 0 FFAEHN C[C@H](CNC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CCC[C@@H](C)C1 ZINC000245985509 510238672 /nfs/dbraw/zinc/23/86/72/510238672.db2.gz ZRUSZEACAKWJQL-UPJWGTAASA-N 0 3 372.435 2.770 10 0 FFAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc(N2CCCC2=O)ccc1Cl ZINC000245994612 510242096 /nfs/dbraw/zinc/24/20/96/510242096.db2.gz XLINFOVEHLHKTQ-ZFWWWQNUSA-N 0 3 361.873 2.776 10 0 FFAEHN COC(=O)c1ccc(CNC(=O)N[C@@H](C)CN(C)Cc2ccccc2)cc1 ZINC000181027863 510246753 /nfs/dbraw/zinc/24/67/53/510246753.db2.gz BCHRQCKJETYBQM-INIZCTEOSA-N 0 3 369.465 2.793 10 0 FFAEHN CC(C)c1noc(CCC(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)n1 ZINC000190628961 510249441 /nfs/dbraw/zinc/24/94/41/510249441.db2.gz QHFKMDGGTNEKHY-QGZVFWFLSA-N 0 3 371.485 2.501 10 0 FFAEHN COc1cc(OC)cc(C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190638098 510253000 /nfs/dbraw/zinc/25/30/00/510253000.db2.gz RDRNPRQCXUMSIW-KRWDZBQOSA-N 0 3 369.465 2.693 10 0 FFAEHN COCCC1(C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)CCCC1 ZINC000190656822 510266357 /nfs/dbraw/zinc/26/63/57/510266357.db2.gz TWHBWGNTBWRMDY-IBGZPJMESA-N 0 3 359.514 2.959 10 0 FFAEHN C[C@@H]1CN(Cc2ccc(SC(=O)N(C)C)cc2)C[C@H]1N1CCOCC1 ZINC000246081141 510279915 /nfs/dbraw/zinc/27/99/15/510279915.db2.gz FGWHHJBHLABQPQ-CRAIPNDOSA-N 0 3 363.527 2.613 10 0 FFAEHN Cc1ccc(OC[C@H](O)CN2CC[C@H](CNc3cccc(C)n3)C2)cc1 ZINC000171650489 510280031 /nfs/dbraw/zinc/28/00/31/510280031.db2.gz KZBOSPJTRHWKAO-RTBURBONSA-N 0 3 355.482 2.872 10 0 FFAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)NC2CCSCC2)C1 ZINC000190704447 510294954 /nfs/dbraw/zinc/29/49/54/510294954.db2.gz NFWQZCWDUWZJAK-AWEZNQCLSA-N 0 3 368.572 2.810 10 0 FFAEHN CSCCCCNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190714907 510302163 /nfs/dbraw/zinc/30/21/63/510302163.db2.gz ULVUKXBBXMTFPY-QGZVFWFLSA-N 0 3 350.532 2.688 10 0 FFAEHN CC[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(OC)c(Br)n1 ZINC000181221770 510307810 /nfs/dbraw/zinc/30/78/10/510307810.db2.gz DNKOEJBGMSMHJR-NWDGAFQWSA-N 0 3 368.275 2.552 10 0 FFAEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)NC[C@]2(C)CCCS2)C1 ZINC000190726374 510310702 /nfs/dbraw/zinc/31/07/02/510310702.db2.gz RTVZHVSYSYXTKC-HKUYNNGSSA-N 0 3 362.543 2.831 10 0 FFAEHN c1ncn(C[C@H]2CCCN(Cc3ccc(OC[C@H]4CCCO4)cc3)C2)n1 ZINC000246145702 510319602 /nfs/dbraw/zinc/31/96/02/510319602.db2.gz DFMXDNXUYWYPMS-AZUAARDMSA-N 0 3 356.470 2.748 10 0 FFAEHN CCCCO[C@H](C)C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000174849692 510342687 /nfs/dbraw/zinc/34/26/87/510342687.db2.gz GFPSSBXWCYCXRO-YLJYHZDGSA-N 0 3 362.514 2.753 10 0 FFAEHN CSC[C@H](C)C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000174852064 510344820 /nfs/dbraw/zinc/34/48/20/510344820.db2.gz YUYHFMDUOUKJCZ-YJBOKZPZSA-N 0 3 350.528 2.547 10 0 FFAEHN C[C@H]1C[C@H](NC(=O)N2CCCC[C@H](N3CCN(C)CC3)C2)C[C@@H](C)C1 ZINC000246206377 510362367 /nfs/dbraw/zinc/36/23/67/510362367.db2.gz MELHODYFFNTDLJ-MANSERQUSA-N 0 3 350.551 2.623 10 0 FFAEHN CC(C)N(C(=O)CN1CCCC[C@@H](N2CCN(C)CC2)C1)c1ccccc1 ZINC000174891292 510371139 /nfs/dbraw/zinc/37/11/39/510371139.db2.gz YIYASXSXIMXNPA-OAQYLSRUSA-N 0 3 372.557 2.530 10 0 FFAEHN COc1cc(C)c(Br)cc1NC(=O)N1CC[C@H](N(C)C)C1 ZINC000184559543 510389079 /nfs/dbraw/zinc/38/90/79/510389079.db2.gz BMVJQNRHBSFBFX-NSHDSACASA-N 0 3 356.264 2.934 10 0 FFAEHN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171892240 510434473 /nfs/dbraw/zinc/43/44/73/510434473.db2.gz WELMLYQYDHEUGB-QGZVFWFLSA-N 0 3 356.470 2.543 10 0 FFAEHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000246452358 510496046 /nfs/dbraw/zinc/49/60/46/510496046.db2.gz OMVKLHOVGAGHMW-FRRDWIJNSA-N 0 3 372.435 2.770 10 0 FFAEHN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000246481384 510512188 /nfs/dbraw/zinc/51/21/88/510512188.db2.gz GPHGLMMJSIRNDM-KZNAEPCWSA-N 0 3 361.555 2.789 10 0 FFAEHN C[C@@H]1C[C@H](NC(=O)NC[C@@](C)(O)c2ccco2)CCN1Cc1ccccc1 ZINC000246485641 510515958 /nfs/dbraw/zinc/51/59/58/510515958.db2.gz LSRYIQAFFJQHQP-HGHGUNKESA-N 0 3 371.481 2.839 10 0 FFAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(CSc2nccn2C)o1 ZINC000172056618 510519961 /nfs/dbraw/zinc/51/99/61/510519961.db2.gz WGTMBARJNBPRCR-ZIAGYGMSSA-N 0 3 360.483 2.614 10 0 FFAEHN Cc1cnn(CCNC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1 ZINC000246507412 510526687 /nfs/dbraw/zinc/52/66/87/510526687.db2.gz NMMYIMJNDHOERU-HKUYNNGSSA-N 0 3 355.486 2.544 10 0 FFAEHN Cc1cc(NC(=O)CN2CCC[C@H]2Cn2ccnc2C)n(C(C)(C)C)n1 ZINC000178324873 510546205 /nfs/dbraw/zinc/54/62/05/510546205.db2.gz YABAYMDPRVZXTI-INIZCTEOSA-N 0 3 358.490 2.555 10 0 FFAEHN O=C(Cc1ccccc1)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000172108131 510546643 /nfs/dbraw/zinc/54/66/43/510546643.db2.gz WOOMUWCNIBZJEN-NRFANRHFSA-N 0 3 352.478 2.791 10 0 FFAEHN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCN2CCC[C@H]2C1 ZINC000246585112 510571244 /nfs/dbraw/zinc/57/12/44/510571244.db2.gz SKPOYFGDXYQHTF-KBPBESRZSA-N 0 3 351.878 2.764 10 0 FFAEHN CN(C)C[C@H]1CN(C(=O)NCCCCCc2ccc(F)cc2)CCO1 ZINC000188083129 510584916 /nfs/dbraw/zinc/58/49/16/510584916.db2.gz GXYLCKQHVZVKBE-SFHVURJKSA-N 0 3 351.466 2.511 10 0 FFAEHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(OCC(F)(F)F)n2)C1 ZINC000246631498 510593933 /nfs/dbraw/zinc/59/39/33/510593933.db2.gz KKLYZISZPHEEKL-GXTWGEPZSA-N 0 3 357.376 2.579 10 0 FFAEHN Cc1ccc(C(=O)c2ccccc2-c2nc([C@H]3CNCCN3C)no2)cc1 ZINC000263170369 510595954 /nfs/dbraw/zinc/59/59/54/510595954.db2.gz FRIYLIMQKYBUKT-GOSISDBHSA-N 0 3 362.433 2.852 10 0 FFAEHN CN1CCNC[C@H]1c1noc(/C=C/c2ccc(Br)s2)n1 ZINC000263203955 510611034 /nfs/dbraw/zinc/61/10/34/510611034.db2.gz JLDXVNULJOYWAB-GFAPAMAISA-N 0 3 355.261 2.640 10 0 FFAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)CC1CCC2(CC1)OCCO2 ZINC000191343289 510614411 /nfs/dbraw/zinc/61/44/11/510614411.db2.gz WAVFPEHGKVQSNO-KRWDZBQOSA-N 0 3 360.498 2.947 10 0 FFAEHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000181830104 510616670 /nfs/dbraw/zinc/61/66/70/510616670.db2.gz CXUKBGLPKHBFFF-HUBLWGQQSA-N 0 3 372.435 2.861 10 0 FFAEHN COc1ccc(Nc2nc(-c3nc([C@@H]4CNCCN4C)no3)cs2)cc1 ZINC000263266458 510636316 /nfs/dbraw/zinc/63/63/16/510636316.db2.gz RPVLRIQKEGXLMB-AWEZNQCLSA-N 0 3 372.454 2.521 10 0 FFAEHN Cc1cc(C)c(NC(=O)[C@H](C)N2CCO[C@@H](CN(C)C)C2)c(Cl)c1 ZINC000246735095 510643908 /nfs/dbraw/zinc/64/39/08/510643908.db2.gz WFZCRHBHNWGMCP-GJZGRUSLSA-N 0 3 353.894 2.546 10 0 FFAEHN CN1CCNC[C@H]1c1noc(-c2ccccc2NC(=O)c2ccccc2)n1 ZINC000263302206 510652154 /nfs/dbraw/zinc/65/21/54/510652154.db2.gz XFNBOVUCTZCEAL-KRWDZBQOSA-N 0 3 363.421 2.565 10 0 FFAEHN CN1CCNC[C@H]1c1noc(Cc2ccc(NC(=O)CC(C)(C)C)cc2)n1 ZINC000263302230 510653124 /nfs/dbraw/zinc/65/31/24/510653124.db2.gz XFXFJWBLSJRRHL-INIZCTEOSA-N 0 3 371.485 2.611 10 0 FFAEHN Cc1ccc(-c2nc([C@@H]3CNCCN3C)no2)cc1NC(=O)NC(C)(C)C ZINC000263304205 510653738 /nfs/dbraw/zinc/65/37/38/510653738.db2.gz XNRWUKTVCGRPQO-HNNXBMFYSA-N 0 3 372.473 2.541 10 0 FFAEHN COc1ccc(NC(=O)CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c(OC)c1 ZINC000246800505 510680317 /nfs/dbraw/zinc/68/03/17/510680317.db2.gz MUGMSMCPZHYZNX-HNAYVOBHSA-N 0 3 373.497 2.591 10 0 FFAEHN O=C(Nc1ccccc1NC(=O)c1ccccc1)c1n[nH]c2c1CNCC2 ZINC000188333615 510716163 /nfs/dbraw/zinc/71/61/63/510716163.db2.gz USDQBBOODPSOPP-UHFFFAOYSA-N 0 3 361.405 2.560 10 0 FFAEHN O=C(Nc1ccc(OCC2CCOCC2)cc1)N1CCN2CCC[C@H]2C1 ZINC000172431293 510723776 /nfs/dbraw/zinc/72/37/76/510723776.db2.gz NAPVGDRUGAJYPT-SFHVURJKSA-N 0 3 359.470 2.804 10 0 FFAEHN Cc1nccn1C[C@@H]1CCCN1[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000246885203 510727415 /nfs/dbraw/zinc/72/74/15/510727415.db2.gz DUIRGFIFUVWENN-IEZWGBDMSA-N 0 3 368.481 2.684 10 0 FFAEHN C[C@@H](NC(=O)N1CC[C@H](N(C)C)C1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000175681209 510731814 /nfs/dbraw/zinc/73/18/14/510731814.db2.gz SLRXJVSTTQWXCY-RISCZKNCSA-N 0 3 363.849 2.797 10 0 FFAEHN CCCOc1cccc(CNC(=O)CN2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000178752298 510753922 /nfs/dbraw/zinc/75/39/22/510753922.db2.gz XSHNGGCPXNDNAT-LJQANCHMSA-N 0 3 370.497 2.761 10 0 FFAEHN CC(=O)c1ccc(NC(=O)CCN2CCC[C@@H]2Cn2ccnc2C)cc1 ZINC000178751950 510754671 /nfs/dbraw/zinc/75/46/71/510754671.db2.gz LFIJWVMDVBCHQJ-LJQANCHMSA-N 0 3 354.454 2.887 10 0 FFAEHN Cc1nccn1C[C@@H]1CCCN1CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000178755080 510755853 /nfs/dbraw/zinc/75/58/53/510755853.db2.gz ITIYVWOHOPTWMH-FPOVZHCZSA-N 0 3 352.482 2.923 10 0 FFAEHN C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@H]1C)[NH+]1[C@H](C)CC[C@H]1C ZINC000246942373 510759280 /nfs/dbraw/zinc/75/92/80/510759280.db2.gz IXJCEPUSZWOUBL-KLBVCGFUSA-N 0 3 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ZINC000182889542 509478441 /nfs/dbraw/zinc/47/84/41/509478441.db2.gz IEURDGLORZFRLA-FPOVZHCZSA-N 0 3 372.557 2.530 10 0 FFAEHN CN1CCN([C@@H]2CCCCN(C(=O)CCc3cccc(F)c3F)C2)CC1 ZINC000173279028 509498428 /nfs/dbraw/zinc/49/84/28/509498428.db2.gz FRHDVASJQLFHHC-QGZVFWFLSA-N 0 3 365.468 2.526 10 0 FFAEHN Cc1cc(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)ccc1C(N)=O ZINC000248833714 509502473 /nfs/dbraw/zinc/50/24/73/509502473.db2.gz MUXYJFKEHYBMJG-BEFAXECRSA-N 0 3 366.465 2.736 10 0 FFAEHN Cc1[nH]c2ccccc2c1CC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000173287690 509506731 /nfs/dbraw/zinc/50/67/31/509506731.db2.gz LVLRYKVOZNKVKM-SFHVURJKSA-N 0 3 368.525 2.647 10 0 FFAEHN CN(C[C@@H](O)C1CCCCC1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000248902182 509535860 /nfs/dbraw/zinc/53/58/60/509535860.db2.gz LCWALIHJCPLZGG-ZWKOTPCHSA-N 0 3 352.544 2.994 10 0 FFAEHN C[C@@H](NC(C)(C)CNC(=O)N[C@@H]1CCCn2ncnc21)c1ccccc1 ZINC000176516268 509556849 /nfs/dbraw/zinc/55/68/49/509556849.db2.gz MWUAHGOCHDTJSQ-GDBMZVCRSA-N 0 3 356.474 2.542 10 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C[C@@H]1CN(CC2CCN(C[C@@H](O)c3c(F)cccc3F)CC2)C[C@@H](C)O1 ZINC000245387218 509891774 /nfs/dbraw/zinc/89/17/74/509891774.db2.gz VMXLAIDNYIGHGY-SPYBWZPUSA-N 0 3 368.468 2.819 10 0 FFAEHN Cc1ccn(C)c1C(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000190040269 509901246 /nfs/dbraw/zinc/90/12/46/509901246.db2.gz YSHOKKXOXZWGLC-FQEVSTJZSA-N 0 3 369.509 2.851 10 0 FFAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H](NC(=O)CC(C)C)c1ccccc1 ZINC000245432039 509926584 /nfs/dbraw/zinc/92/65/84/509926584.db2.gz NQHKIDKIMFVPPC-QUCCMNQESA-N 0 3 359.514 2.833 10 0 FFAEHN CCN1CCC[C@H]1CN(C)[C@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000245469179 509954096 /nfs/dbraw/zinc/95/40/96/509954096.db2.gz LLMUEXNVVJIMNN-WBVHZDCISA-N 0 3 361.486 2.591 10 0 FFAEHN Cc1nc(C)n(C[C@@H]2CCCN(Cc3ccc4c(c3)CCC(=O)N4C)C2)n1 ZINC000186946484 509968140 /nfs/dbraw/zinc/96/81/40/509968140.db2.gz SLJYBJXTSPKIFC-GOSISDBHSA-N 0 3 367.497 2.716 10 0 FFAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1coc(CNC(=O)OC(C)(C)C)c1 ZINC000186965769 509977362 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10 0 FFAEHN CCCC(=O)N[C@H]1CCCN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000181062663 510263949 /nfs/dbraw/zinc/26/39/49/510263949.db2.gz FPICJCQPCQVFHD-MJGOQNOKSA-N 0 3 374.529 2.597 10 0 FFAEHN COc1cc(C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)ccc1C ZINC000190662270 510268683 /nfs/dbraw/zinc/26/86/83/510268683.db2.gz JAQRULXRGGJZQF-GOSISDBHSA-N 0 3 353.466 2.993 10 0 FFAEHN C[C@@H]1C[C@H](N[C@H]2CCCC[C@@H]2S(C)(=O)=O)CN1Cc1ccccc1 ZINC000246067461 510272362 /nfs/dbraw/zinc/27/23/62/510272362.db2.gz SDEOQSMJAALKDE-BVBHFADKSA-N 0 3 350.528 2.595 10 0 FFAEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)NCCc2ccccn2)C1 ZINC000190674280 510278016 /nfs/dbraw/zinc/27/80/16/510278016.db2.gz KHYZHIIUAIFMKC-INIZCTEOSA-N 0 3 373.526 2.553 10 0 FFAEHN CN(C)[C@H](CNC(=O)N1CC[C@@H](N(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000187459627 510279366 /nfs/dbraw/zinc/27/93/66/510279366.db2.gz NTJUXBWNWIIMAX-HZPDHXFCSA-N 0 3 372.435 2.654 10 0 FFAEHN C[C@@H](NC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1)c1ccccn1 ZINC000190683616 510283459 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/nfs/dbraw/zinc/48/19/95/510481995.db2.gz OVLPLMOWGYJUII-HNNXBMFYSA-N 0 3 357.483 2.906 10 0 FFAEHN CCc1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C)CC2 ZINC000171984782 510485046 /nfs/dbraw/zinc/48/50/46/510485046.db2.gz MFCVQLUAQFGHIB-WMZOPIPTSA-N 0 3 369.513 2.571 10 0 FFAEHN O[C@@H](Cn1cccn1)CN1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000246452983 510496227 /nfs/dbraw/zinc/49/62/27/510496227.db2.gz XXZINUXEUBGVFM-QZTJIDSGSA-N 0 3 351.454 2.514 10 0 FFAEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc(OCc2ccccc2)nc1 ZINC000172059167 510521060 /nfs/dbraw/zinc/52/10/60/510521060.db2.gz YNLWPAZSEWFOFL-VQIMIIECSA-N 0 3 351.450 2.969 10 0 FFAEHN COC(=O)[C@@H](C)Oc1ccc(CN2CCCN(c3ccccn3)CC2)cc1 ZINC000184805144 510522747 /nfs/dbraw/zinc/52/27/47/510522747.db2.gz ABDZCOFEYUSFJP-QGZVFWFLSA-N 0 3 369.465 2.734 10 0 FFAEHN CSc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000246511593 510528789 /nfs/dbraw/zinc/52/87/89/510528789.db2.gz SUPVJFWTTJKYFA-SMDDNHRTSA-N 0 3 369.918 2.845 10 0 FFAEHN 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O=C1O[C@H](CN2CC[C@@H](CNc3ccccn3)C2)CN1c1ccccc1 ZINC000246742053 510647278 /nfs/dbraw/zinc/64/72/78/510647278.db2.gz MTUDLHKDPQAVGT-FUHWJXTLSA-N 0 3 352.438 2.841 10 0 FFAEHN CCOC(=O)C[C@H](NC(=O)NC[C@H](C)N(C)C1CC1)c1ccccc1C ZINC000175465048 510655589 /nfs/dbraw/zinc/65/55/89/510655589.db2.gz GWASFXFLOYAYQH-YJBOKZPZSA-N 0 3 361.486 2.771 10 0 FFAEHN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCO[C@@H](CN(C)C)C2)cc1 ZINC000246754567 510656024 /nfs/dbraw/zinc/65/60/24/510656024.db2.gz XSRRUQMGDIYLCJ-SFTDATJTSA-N 0 3 367.493 2.937 10 0 FFAEHN CN1CCNC[C@H]1c1noc(CCc2cccc(OC3CCCC3)c2)n1 ZINC000263312016 510657254 /nfs/dbraw/zinc/65/72/54/510657254.db2.gz YUWHSXZIOQDBCO-SFHVURJKSA-N 0 3 356.470 2.752 10 0 FFAEHN Cc1ccccc1C(C)(C)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000178580357 510672908 /nfs/dbraw/zinc/67/29/08/510672908.db2.gz RBJFOWYZSBUKJD-FQEVSTJZSA-N 0 3 366.505 2.808 10 0 FFAEHN CS[C@H](C(=O)NC[C@H](O)CN1CCc2ccccc2C1)c1ccccc1 ZINC000178581673 510673238 /nfs/dbraw/zinc/67/32/38/510673238.db2.gz 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