smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)NC(=O)c1ccccc1Sc1ccccc1CN(C)C(C)C ZINC000001559276 204012628 /nfs/dbraw/zinc/01/26/28/204012628.db2.gz RJSYWZVNYLKKSP-UHFFFAOYSA-N 0 3 356.535 4.816 40 0 FJABHN CCc1oc2ccccc2c1C(=O)c1ccc(OCCN(CC)CC)cc1 ZINC000004215843 204127166 /nfs/dbraw/zinc/12/71/66/204127166.db2.gz SNNLEHVMRDCTNG-UHFFFAOYSA-N 0 3 365.473 4.947 40 0 in-man FJABHN CC(C)Oc1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000038756019 205041446 /nfs/dbraw/zinc/04/14/46/205041446.db2.gz NQBFNCGJWFHSNE-UHFFFAOYSA-N 0 3 366.505 4.958 40 0 FJABHN Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038849626 205042920 /nfs/dbraw/zinc/04/29/20/205042920.db2.gz IGWUJLCEUCKWPH-INIZCTEOSA-N 0 3 360.860 4.638 40 0 FJABHN Cc1ccc(C)c(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 ZINC000038833398 205043255 /nfs/dbraw/zinc/04/32/55/205043255.db2.gz MMTZZBNAMWUZQO-GOSISDBHSA-N 0 3 356.897 4.808 40 0 FJABHN CCOc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038834278 205043321 /nfs/dbraw/zinc/04/33/21/205043321.db2.gz UKWHYFIOAFQIDD-QGZVFWFLSA-N 0 3 372.896 4.589 40 0 FJABHN O=C(NCCCc1ccccc1Cl)c1ccc(CN2CCCCC2)cc1 ZINC000044906288 205114169 /nfs/dbraw/zinc/11/41/69/205114169.db2.gz FTJFYTQYHMPIOK-UHFFFAOYSA-N 0 3 370.924 4.689 40 0 FJABHN CCSc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044938584 205116603 /nfs/dbraw/zinc/11/66/03/205116603.db2.gz YWHAKFKWUBZTFR-KRWDZBQOSA-N 0 3 372.509 4.788 40 0 FJABHN CC(=O)c1ccc2[nH]c(C)c(CN3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(=O)c2c1 ZINC000008717272 206217212 /nfs/dbraw/zinc/21/72/12/206217212.db2.gz XHRMPMKMSQEUBU-SBUREZEXSA-N 0 3 366.505 4.852 40 0 FJABHN COc1cccc([C@@H]2CCCN2Cc2c(C)n(C)nc2-c2ccccc2)c1 ZINC000019715871 211249425 /nfs/dbraw/zinc/24/94/25/211249425.db2.gz JIBIOKCYGBPCSE-QFIPXVFZSA-N 0 3 361.489 4.741 40 0 FJABHN Fc1ccccc1-c1nnc([C@H]2CCN(Cc3cccc(Cl)c3)C2)o1 ZINC000049170521 221020881 /nfs/dbraw/zinc/02/08/81/221020881.db2.gz HBTMFJNJVFKNBP-AWEZNQCLSA-N 0 3 357.816 4.519 40 0 biogenic,in-vitro FJABHN Fc1ccc(Cc2cccc([C@@H]3CCCN(Cc4ccccn4)C3)n2)cc1 ZINC000072348946 221474799 /nfs/dbraw/zinc/47/47/99/221474799.db2.gz XXQZYXVEXHIYBX-LJQANCHMSA-N 0 3 361.464 4.586 40 0 FJABHN C[C@@H](NCc1ccc(-c2ccc(F)c(Cl)c2)o1)[C@H](O)c1ccccc1 ZINC000022107501 263384718 /nfs/dbraw/zinc/38/47/18/263384718.db2.gz OKUWGZIGRPNPRP-XCLFUZPHSA-N 0 3 359.828 4.951 40 0 FJABHN COc1ccc(Nc2cc(C)nc([C@H]3CCN(C(=O)CC(C)C)C3)c2)cc1 ZINC000257324179 534191092 /nfs/dbraw/zinc/19/10/92/534191092.db2.gz WNOFXTDYWPXWCO-KRWDZBQOSA-N 0 3 367.493 4.504 40 0 FJABHN Fc1ccccc1CN1CC[C@H](c2nc3cc(C(F)(F)F)ccc3[nH]2)C1 ZINC000035446687 560079484 /nfs/dbraw/zinc/07/94/84/560079484.db2.gz MNBXCMMNVPCGFT-ZDUSSCGKSA-N 0 3 363.358 4.710 40 0 biogenic,in-vitro FJABHN Cc1ccc(CN2CCC(C(=O)NCc3cccc4ccccc43)CC2)cc1 ZINC000222875970 568574865 /nfs/dbraw/zinc/57/48/65/568574865.db2.gz OJHRQCRTXLDSHT-UHFFFAOYSA-N 0 3 372.512 4.677 40 0 FJABHN C[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc2c(c1)CCC2 ZINC000223193550 568624346 /nfs/dbraw/zinc/62/43/46/568624346.db2.gz FXRDKNFKVBBZGH-GOSISDBHSA-N 0 3 362.517 4.652 40 0 FJABHN CCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215458 570531541 /nfs/dbraw/zinc/53/15/41/570531541.db2.gz SCTBZBKHFKTOHC-GOSISDBHSA-N 0 3 359.514 4.923 40 0 FJABHN CCCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215444 570531725 /nfs/dbraw/zinc/53/17/25/570531725.db2.gz LMECLZAKCFBOCZ-SFHVURJKSA-N 0 3 359.514 4.923 40 0 FJABHN CN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215787 570532953 /nfs/dbraw/zinc/53/29/53/570532953.db2.gz CSPFYTPROLJOSS-SFHVURJKSA-N 0 3 353.466 4.922 40 0 FJABHN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c(C)c1 ZINC000044934857 570539311 /nfs/dbraw/zinc/53/93/11/570539311.db2.gz YWLNRFLHNUCKAM-QUCCMNQESA-N 0 3 368.496 4.532 40 0 FJABHN S=C(NCc1ccccc1CN1CCCCC1)Nc1ccc(Cl)cc1 ZINC000007404769 570663697 /nfs/dbraw/zinc/66/36/97/570663697.db2.gz GSTAHWMIJVALCV-UHFFFAOYSA-N 0 3 373.953 4.813 40 0 FJABHN O=C(Nc1ccccc1)[C@H](NCCc1ccccc1)c1ccc(Cl)cc1 ZINC000408734073 570684191 /nfs/dbraw/zinc/68/41/91/570684191.db2.gz HZACNJDFTPQVEW-OAQYLSRUSA-N 0 3 364.876 4.852 40 0 FJABHN COc1ccc(CN2CCC[C@@H](c3cc4ccccc4cn3)C2)c(OC)c1 ZINC000012187995 570725291 /nfs/dbraw/zinc/72/52/91/570725291.db2.gz OONUAPAENURZJM-LJQANCHMSA-N 0 3 362.473 4.632 40 0 FJABHN COc1ccc(CN2CCC[C@H](c3cc4ccccc4cn3)C2)cc1OC ZINC000012222636 570729642 /nfs/dbraw/zinc/72/96/42/570729642.db2.gz SQZKYCVQJIPWMI-FQEVSTJZSA-N 0 3 362.473 4.632 40 0 FJABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)c1 ZINC000009062994 570797114 /nfs/dbraw/zinc/79/71/14/570797114.db2.gz QVXONABMMDWLRH-UHFFFAOYSA-N 0 3 350.506 4.969 40 0 FJABHN Cc1noc2nc(C3CCN(Cc4cccc(C)n4)CC3)cc(C(F)F)c12 ZINC000019236176 570883651 /nfs/dbraw/zinc/88/36/51/570883651.db2.gz KWZXTIGVCKQUBD-UHFFFAOYSA-N 0 3 372.419 4.552 40 0 FJABHN CCOc1ccccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000020042170 570908991 /nfs/dbraw/zinc/90/89/91/570908991.db2.gz XQGXKDYKQSOXHU-UHFFFAOYSA-N 0 3 352.478 4.570 40 0 FJABHN CSc1ccccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000020460242 570917011 /nfs/dbraw/zinc/91/70/11/570917011.db2.gz IBGJZGPNQKCGBP-UHFFFAOYSA-N 0 3 354.519 4.893 40 0 FJABHN Cc1cc(C)c(C(=O)NCc2ccccc2CN2CCCCC2)cc1C ZINC000224854144 571002780 /nfs/dbraw/zinc/00/27/80/571002780.db2.gz IFSRRJATPBFJFY-UHFFFAOYSA-N 0 3 350.506 4.528 40 0 FJABHN CC(C)c1ccc(NC(=S)NCCCN2CCc3ccccc3C2)cc1 ZINC000225742215 571061114 /nfs/dbraw/zinc/06/11/14/571061114.db2.gz UJJGKFKUGHQAJM-UHFFFAOYSA-N 0 3 367.562 4.545 40 0 FJABHN O=C(Nc1ccccc1Cl)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038833757 571087104 /nfs/dbraw/zinc/08/71/04/571087104.db2.gz RYVXOAAXHSHOBG-HNNXBMFYSA-N 0 3 363.288 4.844 40 0 FJABHN CC(C)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000038833712 571087368 /nfs/dbraw/zinc/08/73/68/571087368.db2.gz DUAQDBYMTMKOTO-IBGZPJMESA-N 0 3 354.469 4.800 40 0 FJABHN CCc1cccc(C)c1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038856938 571088458 /nfs/dbraw/zinc/08/84/58/571088458.db2.gz YPZRMCOTCHJECI-IBGZPJMESA-N 0 3 354.469 4.547 40 0 FJABHN C[N@H+](CCc1ccc2c(Br)ccc([O-])c2n1)C1CCCCC1 ZINC000059474714 571090770 /nfs/dbraw/zinc/09/07/70/571090770.db2.gz QEYVDIDTWNYUJV-UHFFFAOYSA-N 0 3 363.299 4.510 40 0 FJABHN C[N@@H+](CCc1ccc2c(Br)ccc([O-])c2n1)C1CCCCC1 ZINC000059474714 571090772 /nfs/dbraw/zinc/09/07/72/571090772.db2.gz QEYVDIDTWNYUJV-UHFFFAOYSA-N 0 3 363.299 4.510 40 0 FJABHN CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(C)cc1 ZINC000044935701 571105282 /nfs/dbraw/zinc/10/52/82/571105282.db2.gz QPKWTDWYEPBHIU-IFMALSPDSA-N 0 3 368.496 4.614 40 0 FJABHN CC[C@H](NC(=O)C1CCN(Cc2cccc(C)c2)CC1)c1ccc(C)cc1 ZINC000044935733 571105319 /nfs/dbraw/zinc/10/53/19/571105319.db2.gz VMJVPSFFSMJPQT-QHCPKHFHSA-N 0 3 364.533 4.783 40 0 FJABHN c1ccc(C[C@H]2CCCN(Cc3ccccc3OCc3cccnc3)C2)nc1 ZINC000257235532 571152853 /nfs/dbraw/zinc/15/28/53/571152853.db2.gz GYFMXGMMSZSCBN-HXUWFJFHSA-N 0 3 373.500 4.510 40 0 FJABHN Cc1noc(C)c1-c1cncc([C@@H]2CCCN2Cc2c[nH]c3ccccc23)n1 ZINC000257264181 571155697 /nfs/dbraw/zinc/15/56/97/571155697.db2.gz LTGDBMFSNIFRGU-NRFANRHFSA-N 0 3 373.460 4.567 40 0 FJABHN Fc1ccccc1Cc1cccc([C@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000072348816 571180282 /nfs/dbraw/zinc/18/02/82/571180282.db2.gz JUZXULJNRYNZIV-FQEVSTJZSA-N 0 3 361.464 4.586 40 0 FJABHN Cc1cccc(Cc2cccc([C@@H]3CCCN(Cc4ccccn4)C3)n2)c1 ZINC000072348939 571180518 /nfs/dbraw/zinc/18/05/18/571180518.db2.gz RVGUDWXUKDQVCZ-OAQYLSRUSA-N 0 3 357.501 4.755 40 0 FJABHN COc1cccc(-c2cccc([C@H]3CCCN(Cc4ccccn4)C3)n2)c1 ZINC000072348930 571180594 /nfs/dbraw/zinc/18/05/94/571180594.db2.gz QANGOWXZUMBYFP-IBGZPJMESA-N 0 3 359.473 4.532 40 0 FJABHN Fc1ccc(CN2CCC[C@@H](c3nccnc3-c3ccc(F)cc3)C2)cc1 ZINC000072358381 571183516 /nfs/dbraw/zinc/18/35/16/571183516.db2.gz NGJRYTCOOBBJKT-GOSISDBHSA-N 0 3 365.427 4.801 40 0 FJABHN Fc1ccc(CN2CCC[C@H](c3nccnc3-c3ccc(F)cc3)C2)cc1 ZINC000072358380 571183574 /nfs/dbraw/zinc/18/35/74/571183574.db2.gz NGJRYTCOOBBJKT-SFHVURJKSA-N 0 3 365.427 4.801 40 0 FJABHN Fc1ccc(CN2CCC[C@H](c3nccnc3-c3ccccc3F)C2)cc1 ZINC000072358383 571183625 /nfs/dbraw/zinc/18/36/25/571183625.db2.gz FXUSMWKANQPVPF-KRWDZBQOSA-N 0 3 365.427 4.801 40 0 FJABHN Fc1ccc(CN2CCC[C@@H](c3nccnc3-c3cccc(F)c3)C2)cc1 ZINC000072358384 571183642 /nfs/dbraw/zinc/18/36/42/571183642.db2.gz PULPOUZZLQBRGM-GOSISDBHSA-N 0 3 365.427 4.801 40 0 FJABHN Cc1ccccc1-c1noc([C@@H]2CCN(Cc3ccccc3Cl)C2)n1 ZINC000072369931 571185065 /nfs/dbraw/zinc/18/50/65/571185065.db2.gz WIHWMIWOOCZBEQ-MRXNPFEDSA-N 0 3 353.853 4.688 40 0 FJABHN Cc1ccccc1CN1CCC[C@@H]1c1cccc(Nc2nccs2)n1 ZINC000072375267 571185626 /nfs/dbraw/zinc/18/56/26/571185626.db2.gz PMWOFRNAUCNAMR-GOSISDBHSA-N 0 3 350.491 4.927 40 0 FJABHN CN1CCCC[C@H]1Cn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 ZINC000045284908 571206087 /nfs/dbraw/zinc/20/60/87/571206087.db2.gz MOBWRRIAIHYXLB-INIZCTEOSA-N 0 3 352.522 4.991 40 0 in-vitro FJABHN Fc1ccccc1OCCc1cc([C@H]2CCCN2Cc2ccccc2)n[nH]1 ZINC000019743205 571327202 /nfs/dbraw/zinc/32/72/02/571327202.db2.gz WUMMXRZWFPLKDK-OAQYLSRUSA-N 0 3 365.452 4.507 40 0 FJABHN O[C@H](c1ccccc1)C1(c2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000001584485 204013272 /nfs/dbraw/zinc/01/32/72/204013272.db2.gz MFMTVBIVRHGAJC-XMMPIXPASA-N 0 3 357.497 4.954 40 0 FJABHN CC(C)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038856715 205043388 /nfs/dbraw/zinc/04/33/88/205043388.db2.gz AUXPFVHMGFJFPV-SFHVURJKSA-N 0 3 354.469 4.800 40 0 FJABHN O=C1N(c2ccsc2)c2ccccc2C12CCN(Cc1ccco1)CC2 ZINC000109770393 206062884 /nfs/dbraw/zinc/06/28/84/206062884.db2.gz YAYFOKAXRRNWPM-UHFFFAOYSA-N 0 3 364.470 4.553 40 0 FJABHN O=C(NC1C[C@H]2CCC[C@@H](C1)N2Cc1cccs1)c1cccc(Cl)c1 ZINC000004888095 206184280 /nfs/dbraw/zinc/18/42/80/206184280.db2.gz RDPRQYOCZSATPX-AYHJJNSGSA-N 0 3 374.937 4.717 40 0 FJABHN COc1cccc([C@H]2CCCN2Cc2c(C)n(C)nc2-c2ccccc2)c1 ZINC000019715872 211249417 /nfs/dbraw/zinc/24/94/17/211249417.db2.gz JIBIOKCYGBPCSE-JOCHJYFZSA-N 0 3 361.489 4.741 40 0 FJABHN Cc1cc(-c2snnc2[C@H]2CCCN(Cc3cc(C)sc3C)C2)on1 ZINC000019120743 211201027 /nfs/dbraw/zinc/20/10/27/211201027.db2.gz KLEZSDSQLDNYOJ-AWEZNQCLSA-N 0 3 374.535 4.559 40 0 FJABHN COc1ccc(CN2CCC3(C[C@@H](OC)c4cc(C)ccc43)CC2)cc1 ZINC000096100196 222022511 /nfs/dbraw/zinc/02/25/11/222022511.db2.gz UFNPBAABHDNWKN-JOCHJYFZSA-N 0 3 351.490 4.629 40 0 FJABHN CSc1ccccc1NC(=O)C1CCN(Cc2cccc(C)c2)CC1 ZINC000039747365 263399284 /nfs/dbraw/zinc/39/92/84/263399284.db2.gz XCSOKOMKMJGDRW-UHFFFAOYSA-N 0 3 354.519 4.568 40 0 FJABHN CSc1cccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1 ZINC000039752338 263399445 /nfs/dbraw/zinc/39/94/45/263399445.db2.gz ZIPRHOWDJXALLK-UHFFFAOYSA-N 0 3 354.519 4.568 40 0 FJABHN Cc1ccc(CN2CCC(C(=O)Nc3cc(Cl)ccc3C)CC2)cc1 ZINC000039747711 263399634 /nfs/dbraw/zinc/39/96/34/263399634.db2.gz YTDCPRQZWAAINB-UHFFFAOYSA-N 0 3 356.897 4.808 40 0 FJABHN COc1ccc(-n2nc(C)c([C@@H]3C=C[C@@H](NCc4ccccc4)C3)c2C)cc1 ZINC000008636091 560210561 /nfs/dbraw/zinc/21/05/61/560210561.db2.gz ABFMQNRBTGMUPH-NHCUHLMSSA-N 0 3 373.500 4.700 40 0 biogenic,in-vitro FJABHN c1csc(Nc2cccc(C3CCN(Cc4ccccc4)CC3)n2)n1 ZINC000585262700 570481558 /nfs/dbraw/zinc/48/15/58/570481558.db2.gz UQRTWNRMHXIHGZ-UHFFFAOYSA-N 0 3 350.491 4.661 40 0 FJABHN Cc1ccc(C[C@@]2(C)N[C@@H](c3ccccc3)C(C)=C[C@@H]2[C@H](O)C(C)C)nc1 ZINC000005389723 570625857 /nfs/dbraw/zinc/62/58/57/570625857.db2.gz LLQAHZZCUBNWMJ-MOUTVQLLSA-N 0 3 364.533 4.615 40 0 FJABHN CCc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccco1 ZINC000004888023 570672675 /nfs/dbraw/zinc/67/26/75/570672675.db2.gz USTOUUZXGBUVQB-YQQQUEKLSA-N 0 3 367.493 4.549 40 0 FJABHN COc1ccc(C2(NCc3c[nH]nc3-c3cccs3)CCCC2)cc1 ZINC000012147584 570723024 /nfs/dbraw/zinc/72/30/24/570723024.db2.gz ZZJZTJNZUFWGIX-UHFFFAOYSA-N 0 3 353.491 4.706 40 0 FJABHN Cc1ccc(SCCNC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000009889125 570799770 /nfs/dbraw/zinc/79/97/70/570799770.db2.gz NCBBCEDVXMTMPO-UHFFFAOYSA-N 0 3 368.546 4.503 40 0 FJABHN Cc1ccc(CN(Cc2cccn2-c2ccncc2)Cc2ccncc2)cc1 ZINC000019210177 570881901 /nfs/dbraw/zinc/88/19/01/570881901.db2.gz UCKJPGSDVKCHIF-UHFFFAOYSA-N 0 3 368.484 4.778 40 0 FJABHN Cc1ccc(-c2nnc(C3CCN(Cc4cccc(C)c4)CC3)o2)s1 ZINC000019234954 570882873 /nfs/dbraw/zinc/88/28/73/570882873.db2.gz BZYJHEQQELURJB-UHFFFAOYSA-N 0 3 353.491 4.795 40 0 FJABHN Cc1noc(-c2c[nH]nc2[C@H]2CCCN2Cc2cccc(Cl)c2)c1C ZINC000019558084 570893028 /nfs/dbraw/zinc/89/30/28/570893028.db2.gz TWHMSVVCNMUREH-QGZVFWFLSA-N 0 3 356.857 4.672 40 0 FJABHN Cc1noc(-c2c[nH]nc2[C@H]2CCCCN2Cc2ccc(F)cc2)c1C ZINC000019557950 570893313 /nfs/dbraw/zinc/89/33/13/570893313.db2.gz DOHQHWHAIXJTPI-GOSISDBHSA-N 0 3 354.429 4.548 40 0 FJABHN Cc1[nH]c2ccc(F)cc2c1[C@H](O)CN1CC=C(c2ccc(F)cc2)CC1 ZINC000019581404 570895145 /nfs/dbraw/zinc/89/51/45/570895145.db2.gz MSHAKHSQENXAFY-OAQYLSRUSA-N 0 3 368.427 4.577 40 0 FJABHN CSc1cccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 ZINC000022522533 570945635 /nfs/dbraw/zinc/94/56/35/570945635.db2.gz QQXQZYTXECEEDA-UHFFFAOYSA-N 0 3 354.519 4.893 40 0 FJABHN CCc1ccc([C@H](C)NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000225233092 571023068 /nfs/dbraw/zinc/02/30/68/571023068.db2.gz YMXJXCWKWIGHMY-IBGZPJMESA-N 0 3 364.533 4.647 40 0 FJABHN Cc1cccc(CN2CCC(C(=O)N[C@@H](C)c3cc(C)ccc3C)CC2)c1 ZINC000039767235 571023527 /nfs/dbraw/zinc/02/35/27/571023527.db2.gz FGFJZSKAZSDUDT-FQEVSTJZSA-N 0 3 364.533 4.701 40 0 FJABHN O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220799 571027676 /nfs/dbraw/zinc/02/76/76/571027676.db2.gz TYUKMOPIVKYLJJ-OAHLLOKOSA-N 0 3 363.288 4.844 40 0 FJABHN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000030943898 571052778 /nfs/dbraw/zinc/05/27/78/571052778.db2.gz ICJBHCNIBGPARB-FQEVSTJZSA-N 0 3 364.533 4.670 40 0 FJABHN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000030938642 571052954 /nfs/dbraw/zinc/05/29/54/571052954.db2.gz CNWAKTILVDNPGX-HNNXBMFYSA-N 0 3 363.288 4.844 40 0 FJABHN C[C@H](CCc1ccccc1)NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000030943901 571053365 /nfs/dbraw/zinc/05/33/65/571053365.db2.gz ICJBHCNIBGPARB-HXUWFJFHSA-N 0 3 364.533 4.670 40 0 FJABHN Cc1cc([C@@H]2CCCCCN2C[C@@H](C)Cc2ccc3c(c2)OCO3)no1 ZINC000036719009 571081282 /nfs/dbraw/zinc/08/12/82/571081282.db2.gz QKSRVUXJRJEXMU-KXBFYZLASA-N 0 3 356.466 4.508 40 0 FJABHN Cc1ccc(C)c(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 ZINC000038833399 571087217 /nfs/dbraw/zinc/08/72/17/571087217.db2.gz MMTZZBNAMWUZQO-SFHVURJKSA-N 0 3 356.897 4.808 40 0 FJABHN CCOc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000038834336 571087278 /nfs/dbraw/zinc/08/72/78/571087278.db2.gz JOIQHIGMNHQIGG-QGZVFWFLSA-N 0 3 372.896 4.589 40 0 FJABHN Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1C ZINC000038833586 571087301 /nfs/dbraw/zinc/08/73/01/571087301.db2.gz VYSOUZUDKWQTDK-SFHVURJKSA-N 0 3 356.897 4.808 40 0 FJABHN CCc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000038835265 571087883 /nfs/dbraw/zinc/08/78/83/571087883.db2.gz JBFLJYAULQGANJ-SFHVURJKSA-N 0 3 356.897 4.753 40 0 FJABHN CCc1cccc(CC)c1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038856214 571088302 /nfs/dbraw/zinc/08/83/02/571088302.db2.gz QNFDNAPVAVCKIE-HXUWFJFHSA-N 0 3 368.496 4.801 40 0 FJABHN N=C1N[C@H]([C@H](O)c2ccccc2)[C@@H](c2ccc(-c3ccccc3)cc2)S1 ZINC000059500971 571091519 /nfs/dbraw/zinc/09/15/19/571091519.db2.gz MTLLXUNOCJBIAC-NJDAHSKKSA-N 0 3 360.482 4.558 40 0 FJABHN Cc1ccc(CN(CCCn2ccnc2)Cc2cc(C)c(O)c(C)c2)s1 ZINC000043277889 571100045 /nfs/dbraw/zinc/10/00/45/571100045.db2.gz KKAYBQMZSNGQBR-UHFFFAOYSA-N 0 3 369.534 4.668 40 0 FJABHN C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(F)cc1 ZINC000044933994 571105288 /nfs/dbraw/zinc/10/52/88/571105288.db2.gz VMPBYCBCKDQCOV-CRAIPNDOSA-N 0 3 374.887 4.569 40 0 FJABHN CC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(C)cc1 ZINC000044935698 571105374 /nfs/dbraw/zinc/10/53/74/571105374.db2.gz QPKWTDWYEPBHIU-IRLDBZIGSA-N 0 3 368.496 4.614 40 0 FJABHN COc1ccc(-c2cccc([C@@H]3CCCN(Cc4ccncc4)C3)n2)cc1 ZINC000072348808 571180198 /nfs/dbraw/zinc/18/01/98/571180198.db2.gz XPGFEMDKXVPLKT-HXUWFJFHSA-N 0 3 359.473 4.532 40 0 FJABHN Fc1cccc(Cc2cccc(C3CCN(Cc4ccncc4)CC3)n2)c1 ZINC000072348820 571180319 /nfs/dbraw/zinc/18/03/19/571180319.db2.gz CMHMRWWZLDGHEB-UHFFFAOYSA-N 0 3 361.464 4.586 40 0 FJABHN Fc1ccccc1Cc1cccc([C@@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000072348853 571180514 /nfs/dbraw/zinc/18/05/14/571180514.db2.gz SFLHXKNHWLPAAR-HXUWFJFHSA-N 0 3 361.464 4.586 40 0 FJABHN COc1ccccc1-c1cccc([C@@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000072348927 571180554 /nfs/dbraw/zinc/18/05/54/571180554.db2.gz KKNMOCCHVIFDGZ-GOSISDBHSA-N 0 3 359.473 4.532 40 0 FJABHN Clc1cccc(-c2cncc([C@@H]3CCCN(Cc4ccccn4)C3)n2)c1 ZINC000072359435 571184142 /nfs/dbraw/zinc/18/41/42/571184142.db2.gz CAKGHPPIOPNQPF-QGZVFWFLSA-N 0 3 364.880 4.572 40 0 FJABHN Cc1cc(C)nc(Nc2cccc([C@H]3CCCN3Cc3ccccc3)n2)n1 ZINC000072375104 571185443 /nfs/dbraw/zinc/18/54/43/571185443.db2.gz OZFFTBSOIXIZSJ-HXUWFJFHSA-N 0 3 359.477 4.569 40 0 FJABHN O=C(Nc1ccc(CN2CCCCC2)cc1)Nc1ccc2ccccc2n1 ZINC000585172044 571237568 /nfs/dbraw/zinc/23/75/68/571237568.db2.gz MENXHXZGGALHIB-UHFFFAOYSA-N 0 3 360.461 4.865 40 0 FJABHN O=C(c1ccoc1)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 ZINC000601032715 571245691 /nfs/dbraw/zinc/24/56/91/571245691.db2.gz AEDOTOMIDAMDFC-UHFFFAOYSA-N 0 3 374.484 4.634 40 0 in-vitro FJABHN CCCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 ZINC000138835017 571257100 /nfs/dbraw/zinc/25/71/00/571257100.db2.gz VCCPXHWAJYWQMR-UHFFFAOYSA-N 0 3 364.533 4.917 40 0 in-vitro FJABHN N=C1N[C@H]([C@@H](O)c2ccccc2)[C@H](c2ccc(-c3ccccc3)cc2)S1 ZINC000253569767 571291752 /nfs/dbraw/zinc/29/17/52/571291752.db2.gz MTLLXUNOCJBIAC-HKBOAZHASA-N 0 3 360.482 4.558 40 0 FJABHN COc1ccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1Cl ZINC000009063021 571302539 /nfs/dbraw/zinc/30/25/39/571302539.db2.gz AHQWXKBXHMDLGE-UHFFFAOYSA-N 0 3 372.896 4.508 40 0 FJABHN O=C(Nc1ccc(Br)cc1)c1ccc(CN2CCCCC2)cc1 ZINC000010433869 571303261 /nfs/dbraw/zinc/30/32/61/571303261.db2.gz IAJXCGJKMIDMQI-UHFFFAOYSA-N 0 3 373.294 4.687 40 0 FJABHN Cc1noc(C)c1-c1cncc([C@H]2CCCN2Cc2c[nH]c3ccccc23)n1 ZINC000257264182 223043072 /nfs/dbraw/zinc/04/30/72/223043072.db2.gz LTGDBMFSNIFRGU-OAQYLSRUSA-N 0 3 373.460 4.567 40 0 FJABHN CCC[C@]1(O)C[C@@H](c2ccc(OC)cc2)N[C@H](c2ccc(OC)cc2)[C@@H]1C ZINC000004100019 204120865 /nfs/dbraw/zinc/12/08/65/204120865.db2.gz XVMYIMXBHZVAHC-KKPKCPPISA-N 0 3 369.505 4.647 40 0 FJABHN Cc1ccc(C[C@@]2(C)N[C@@H](c3ccccc3)C(C)=C[C@H]2[C@H](O)C(C)C)nc1 ZINC000005389721 204206730 /nfs/dbraw/zinc/20/67/30/204206730.db2.gz LLQAHZZCUBNWMJ-OLKYXYMISA-N 0 3 364.533 4.615 40 0 FJABHN Cc1ccc(C)c(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000038833395 205042360 /nfs/dbraw/zinc/04/23/60/205042360.db2.gz NCCQMHSMYRWYOQ-SFHVURJKSA-N 0 3 356.897 4.808 40 0 FJABHN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1C ZINC000038833589 205042713 /nfs/dbraw/zinc/04/27/13/205042713.db2.gz ACEWWXCHRVKIBM-GOSISDBHSA-N 0 3 356.897 4.808 40 0 FJABHN Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 ZINC000038833526 205043203 /nfs/dbraw/zinc/04/32/03/205043203.db2.gz GTQNAWOBWQJBDB-GOSISDBHSA-N 0 3 356.897 4.808 40 0 FJABHN Cc1ccc(CN2CCC(C(=O)N[C@@H](C)c3ccc(C)cc3C)CC2)cc1 ZINC000044934892 205115757 /nfs/dbraw/zinc/11/57/57/205115757.db2.gz HPSJVQSTSJFBFV-FQEVSTJZSA-N 0 3 364.533 4.701 40 0 FJABHN CC[C@@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C)cc1 ZINC000044935800 205116378 /nfs/dbraw/zinc/11/63/78/205116378.db2.gz IPVHGRBOBASPLL-JOCHJYFZSA-N 0 3 368.496 4.614 40 0 FJABHN Cc1ccc(-c2nnc(C3CCN(CCc4ccc(F)cc4)CC3)o2)s1 ZINC000019217821 211206006 /nfs/dbraw/zinc/20/60/06/211206006.db2.gz LBUHKGRYEHQXBH-UHFFFAOYSA-N 0 3 371.481 4.668 40 0 FJABHN Cc1nc(NC2CCCCC2)cc(N2Cc3ccccc3CC2(C)C)n1 ZINC000329006332 132372422 /nfs/dbraw/zinc/37/24/22/132372422.db2.gz LDIHYLQSWUDVRH-UHFFFAOYSA-N 0 3 350.510 4.871 40 0 FJABHN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(CN2CCCCC2)cc1 ZINC000017076372 263372346 /nfs/dbraw/zinc/37/23/46/263372346.db2.gz VKCFSRWSKBENTE-UHFFFAOYSA-N 0 3 372.896 4.652 40 0 FJABHN CC[C@@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccccc1 ZINC000020488131 522783737 /nfs/dbraw/zinc/78/37/37/522783737.db2.gz CBVRTABNIJJWRO-JOCHJYFZSA-N 0 3 350.506 4.800 40 0 FJABHN CCc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000223046128 568599616 /nfs/dbraw/zinc/59/96/16/568599616.db2.gz RAMRTFUAIOZCEX-GOSISDBHSA-N 0 3 350.506 4.726 40 0 FJABHN CCc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000223046193 568599810 /nfs/dbraw/zinc/59/98/10/568599810.db2.gz RAMRTFUAIOZCEX-SFHVURJKSA-N 0 3 350.506 4.726 40 0 FJABHN CCC[C@@]1(O)C[C@@H](c2ccc(OC)cc2)N[C@H](c2ccc(OC)cc2)[C@@H]1C ZINC000000829479 570459508 /nfs/dbraw/zinc/45/95/08/570459508.db2.gz XVMYIMXBHZVAHC-YMPRXVIZSA-N 0 3 369.505 4.647 40 0 FJABHN CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC2CCCCC2)CC1 ZINC000100750192 570507629 /nfs/dbraw/zinc/50/76/29/570507629.db2.gz PUXUBPSPQPJCSC-MZKRTTBSSA-N 0 3 371.569 4.577 40 0 FJABHN CC(C)c1ccccc1OC[C@@H](O)CN1CCC(Cc2ccccc2)CC1 ZINC000002694361 570528006 /nfs/dbraw/zinc/52/80/06/570528006.db2.gz MBUFPEQXFYNLOA-QFIPXVFZSA-N 0 3 367.533 4.504 40 0 FJABHN CCCN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215341 570530861 /nfs/dbraw/zinc/53/08/61/570530861.db2.gz GYMCZHUKNAIDHB-SFHVURJKSA-N 0 3 359.514 4.923 40 0 FJABHN CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@@H]2CCCCN2)cn1 ZINC000072215814 570533014 /nfs/dbraw/zinc/53/30/14/570533014.db2.gz KWXRDMOUDJXHQQ-SFHVURJKSA-N 0 3 353.466 4.969 40 0 FJABHN CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@@H]1CCCCN1 ZINC000072215874 570533297 /nfs/dbraw/zinc/53/32/97/570533297.db2.gz GGYFIXHRPVCFLA-SFHVURJKSA-N 0 3 353.466 4.969 40 0 FJABHN Cc1ccc(CN2CCC(C(=O)N[C@@H](C)c3cc(C)ccc3C)CC2)cc1 ZINC000009062599 570797292 /nfs/dbraw/zinc/79/72/92/570797292.db2.gz HOCWFSORXUFROV-FQEVSTJZSA-N 0 3 364.533 4.701 40 0 FJABHN CCOc1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000022519459 570945082 /nfs/dbraw/zinc/94/50/82/570945082.db2.gz RKYWSQJVNYZWNN-UHFFFAOYSA-N 0 3 352.478 4.570 40 0 FJABHN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccccc2F)cc1 ZINC000005254874 570955880 /nfs/dbraw/zinc/95/58/80/570955880.db2.gz WGYUNJBUDLXZGQ-PUHATCMVSA-N 0 3 369.480 4.703 40 0 FJABHN CC1CCN(Cc2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)CC1 ZINC000224330586 570984968 /nfs/dbraw/zinc/98/49/68/570984968.db2.gz BPQKTFBALMJACA-UHFFFAOYSA-N 0 3 370.924 4.544 40 0 FJABHN Cc1cccc(CN2CCC(C(=O)N[C@H](C)c3cc(C)ccc3C)CC2)c1 ZINC000039767236 571023587 /nfs/dbraw/zinc/02/35/87/571023587.db2.gz FGFJZSKAZSDUDT-HXUWFJFHSA-N 0 3 364.533 4.701 40 0 FJABHN Cc1ccc(CN2CCC(C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 ZINC000039772738 571024067 /nfs/dbraw/zinc/02/40/67/571024067.db2.gz KOLLQCVBQNBRPP-UHFFFAOYSA-N 0 3 350.506 4.771 40 0 FJABHN O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028221094 571027871 /nfs/dbraw/zinc/02/78/71/571027871.db2.gz MRKUUMRIUUNSFV-HNNXBMFYSA-N 0 3 363.288 4.844 40 0 FJABHN CCc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 ZINC000028220653 571028013 /nfs/dbraw/zinc/02/80/13/571028013.db2.gz RPILTHHQYJLIRL-SFHVURJKSA-N 0 3 356.897 4.753 40 0 FJABHN O=C(NC1CCCCCCC1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000030944020 571053383 /nfs/dbraw/zinc/05/33/83/571053383.db2.gz AFOYZJURLHQKKB-SFHVURJKSA-N 0 3 362.945 4.781 40 0 FJABHN Cc1ccc(C)c(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000038833394 571087360 /nfs/dbraw/zinc/08/73/60/571087360.db2.gz NCCQMHSMYRWYOQ-GOSISDBHSA-N 0 3 356.897 4.808 40 0 FJABHN N=C1N[C@H]([C@H](O)c2ccccc2)[C@H](c2ccc(-c3ccccc3)cc2)S1 ZINC000059500974 571091412 /nfs/dbraw/zinc/09/14/12/571091412.db2.gz MTLLXUNOCJBIAC-NJYVYQBISA-N 0 3 360.482 4.558 40 0 FJABHN Cc1noc(C)c1-c1nccc([C@H]2CCCN2Cc2ccc3cc[nH]c3c2)n1 ZINC000257244044 571153600 /nfs/dbraw/zinc/15/36/00/571153600.db2.gz IJPOTLFUYYOACM-HXUWFJFHSA-N 0 3 373.460 4.567 40 0 FJABHN CCCC(=O)N(c1ccccc1F)C1CCN(CCc2ccccc2)CC1 ZINC000575598542 571162821 /nfs/dbraw/zinc/16/28/21/571162821.db2.gz NLSYMTDGNNFMCX-UHFFFAOYSA-N 0 3 368.496 4.666 40 0 in-vitro FJABHN Fc1cccc(-c2cnc(-c3ccncc3)c(CNCc3cccnc3)c2)c1 ZINC000072343217 571179756 /nfs/dbraw/zinc/17/97/56/571179756.db2.gz PYFCMHGPELFMMC-UHFFFAOYSA-N 0 3 370.431 4.635 40 0 FJABHN COc1cccc(-c2cccc([C@H]3CCCN(Cc4ccncc4)C3)n2)c1 ZINC000072348807 571180358 /nfs/dbraw/zinc/18/03/58/571180358.db2.gz PKQRDXMJEWTRQN-FQEVSTJZSA-N 0 3 359.473 4.532 40 0 FJABHN COc1ccccc1-c1cccc([C@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000072348928 571180675 /nfs/dbraw/zinc/18/06/75/571180675.db2.gz KKNMOCCHVIFDGZ-SFHVURJKSA-N 0 3 359.473 4.532 40 0 FJABHN Fc1ccccc1Cc1cccc([C@@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000072348942 571180684 /nfs/dbraw/zinc/18/06/84/571180684.db2.gz FPPQYDHVIICLTM-LJQANCHMSA-N 0 3 361.464 4.586 40 0 FJABHN Clc1cccc(-c2cncc([C@H]3CCCN(Cc4ccccn4)C3)n2)c1 ZINC000072359434 571184215 /nfs/dbraw/zinc/18/42/15/571184215.db2.gz CAKGHPPIOPNQPF-KRWDZBQOSA-N 0 3 364.880 4.572 40 0 FJABHN Cc1ccc(CN2CCC[C@@H]2c2cccc(Nc3ncccn3)n2)cc1C ZINC000072375797 571185676 /nfs/dbraw/zinc/18/56/76/571185676.db2.gz NEUPZJBLTYHRNP-HXUWFJFHSA-N 0 3 359.477 4.569 40 0 FJABHN Cc1ccc(-c2nnc([C@@H]3CCCN(Cc4ccc(F)cc4)C3)o2)s1 ZINC000072390093 571189554 /nfs/dbraw/zinc/18/95/54/571189554.db2.gz JVUZSILBIQMLPX-OAHLLOKOSA-N 0 3 357.454 4.625 40 0 FJABHN Cc1ccc(-c2nnc([C@H]3CCCN(Cc4ccccc4F)C3)o2)s1 ZINC000072390092 571189631 /nfs/dbraw/zinc/18/96/31/571189631.db2.gz HMUYDNZUYYWMCB-HNNXBMFYSA-N 0 3 357.454 4.625 40 0 FJABHN CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CCC2CCCC2)CC1 ZINC000257259929 571204618 /nfs/dbraw/zinc/20/46/18/571204618.db2.gz LARSFAQXRPZVNA-JTAQYXEDSA-N 0 3 371.569 4.577 40 0 FJABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(Cl)cc3C)CC2)c1 ZINC000009063015 571302370 /nfs/dbraw/zinc/30/23/70/571302370.db2.gz OFARAXSESOXAGM-UHFFFAOYSA-N 0 3 356.897 4.808 40 0 FJABHN Cc1cccc(CN2CCC(C(=O)Nc3cc(Cl)ccc3C)CC2)c1 ZINC000009063016 571302408 /nfs/dbraw/zinc/30/24/08/571302408.db2.gz YPCAEOOHWBDYQE-UHFFFAOYSA-N 0 3 356.897 4.808 40 0 FJABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000009063134 571302506 /nfs/dbraw/zinc/30/25/06/571302506.db2.gz XEWGSCLKCFIKHX-UHFFFAOYSA-N 0 3 360.860 4.638 40 0 FJABHN Cc1ccc(Cl)cc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009063576 571302661 /nfs/dbraw/zinc/30/26/61/571302661.db2.gz ZCPJNOHDXUSPAI-UHFFFAOYSA-N 0 3 360.860 4.638 40 0 FJABHN Cc1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1Cl ZINC000009063578 571302696 /nfs/dbraw/zinc/30/26/96/571302696.db2.gz YMTKGKGDRGORGW-UHFFFAOYSA-N 0 3 360.860 4.638 40 0 FJABHN Cc1cc(C)c(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c(C)c1 ZINC000009063597 571302750 /nfs/dbraw/zinc/30/27/50/571302750.db2.gz YRLIGBOYJFGZRH-UHFFFAOYSA-N 0 3 354.469 4.602 40 0 FJABHN C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000044912832 571306218 /nfs/dbraw/zinc/30/62/18/571306218.db2.gz SVAWLAPZEJNREM-LPHOPBHVSA-N 0 3 368.908 4.530 40 0 FJABHN Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCCN(C(=O)C(C)C)C2)n1 ZINC000257232804 223031128 /nfs/dbraw/zinc/03/11/28/223031128.db2.gz GMMHHNCRBYTWGS-INIZCTEOSA-N 0 3 355.457 4.635 40 0 FJABHN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c(C)c1 ZINC000044934854 205116663 /nfs/dbraw/zinc/11/66/63/205116663.db2.gz YWLNRFLHNUCKAM-AZUAARDMSA-N 0 3 368.496 4.532 40 0 FJABHN Fc1ccccc1CN(CCCn1ccnc1)Cc1cccc2ncccc12 ZINC000043277834 205102871 /nfs/dbraw/zinc/10/28/71/205102871.db2.gz CXAYWYPIOWSWIR-UHFFFAOYSA-N 0 3 374.463 4.663 40 0 FJABHN CN(C)CCNc1nc(Nc2cccc(Cl)c2)cc(-c2ccccc2)n1 ZINC000244416249 206120668 /nfs/dbraw/zinc/12/06/68/206120668.db2.gz YQXOYANQUFBOLO-UHFFFAOYSA-N 0 3 367.884 4.514 40 0 FJABHN COc1ccc(CN[C@@H]2C=C[C@@H](c3c(C)nn(-c4ccccc4)c3C)C2)cc1 ZINC000008636108 206216440 /nfs/dbraw/zinc/21/64/40/206216440.db2.gz RXRQAWMPXSPDQF-NHCUHLMSSA-N 0 3 373.500 4.700 40 0 biogenic,in-vitro FJABHN CC(C)(C)n1ccc(CN(CCCn2ccnc2)Cc2ccc(F)cc2)c1 ZINC000014001560 206307385 /nfs/dbraw/zinc/30/73/85/206307385.db2.gz IDQUYRLKDSSECS-UHFFFAOYSA-N 0 3 368.500 4.671 40 0 FJABHN COc1ccc(C2(NCc3ccc4cc(OC)ccc4n3)CCCC2)cc1 ZINC000013998224 206307712 /nfs/dbraw/zinc/30/77/12/206307712.db2.gz YDERMXCSIYZAIC-UHFFFAOYSA-N 0 3 362.473 4.811 40 0 FJABHN CC(C)c1ccc(N2CC3(CCN(Cc4ccccc4)CC3)OC2=O)cc1 ZINC000019453317 211223035 /nfs/dbraw/zinc/22/30/35/211223035.db2.gz NRDMAEPRJAFVFM-UHFFFAOYSA-N 0 3 364.489 4.801 40 0 FJABHN OC1(c2cccc(C(F)(F)F)c2)CCN([C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000001688500 210365087 /nfs/dbraw/zinc/36/50/87/210365087.db2.gz UQNYLRPFZWLLMC-MOPGFXCFSA-N 0 3 361.407 4.545 40 0 FJABHN O=C(NC(c1ccccc1)c1ccccc1)c1ccc(CN2CCCC2)cc1 ZINC000010313931 263364427 /nfs/dbraw/zinc/36/44/27/263364427.db2.gz ALZCPQDTWJBQPA-UHFFFAOYSA-N 0 3 370.496 4.802 40 0 FJABHN Cc1cccc(CN2CCC(C(=O)Nc3ccccc3C(C)C)CC2)c1 ZINC000039754931 263399681 /nfs/dbraw/zinc/39/96/81/263399681.db2.gz NTPTTXKLGJHMPH-UHFFFAOYSA-N 0 3 350.506 4.969 40 0 FJABHN Cc1cc(Cl)ccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039754677 263399722 /nfs/dbraw/zinc/39/97/22/263399722.db2.gz XMFDOFXAXRQBHC-UHFFFAOYSA-N 0 3 360.860 4.638 40 0 FJABHN CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000216386865 523227968 /nfs/dbraw/zinc/22/79/68/523227968.db2.gz LQSAOFMMEBPTSW-UHFFFAOYSA-N 0 3 356.897 4.598 40 0 FJABHN O=C(NCc1ccc2ccccc2c1)c1ccc(CN2CCCCC2)cc1 ZINC000222778166 568562031 /nfs/dbraw/zinc/56/20/31/568562031.db2.gz CCIMAQYRKXPXIU-UHFFFAOYSA-N 0 3 358.485 4.756 40 0 FJABHN CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 ZINC000072214427 570529957 /nfs/dbraw/zinc/52/99/57/570529957.db2.gz YFKHCEBUNWUNAQ-IBGZPJMESA-N 0 3 367.493 4.790 40 0 FJABHN CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 ZINC000072214307 570530067 /nfs/dbraw/zinc/53/00/67/570530067.db2.gz ZNEMIIZGZRDHHN-SFHVURJKSA-N 0 3 353.466 4.766 40 0 FJABHN CCCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215340 570530922 /nfs/dbraw/zinc/53/09/22/570530922.db2.gz GYMCZHUKNAIDHB-GOSISDBHSA-N 0 3 359.514 4.923 40 0 FJABHN CC(C)C(=O)N(c1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1 ZINC000601023267 570642171 /nfs/dbraw/zinc/64/21/71/570642171.db2.gz OZDOSQNUJIXEOR-UHFFFAOYSA-N 0 3 368.496 4.522 40 0 in-vitro FJABHN COc1ccc(C2(NCc3ccc(-n4ccnc4C)cc3)CCCC2)cc1 ZINC000012143849 570722092 /nfs/dbraw/zinc/72/20/92/570722092.db2.gz ILHXMNBYODMHOT-UHFFFAOYSA-N 0 3 361.489 4.748 40 0 FJABHN COc1ccccc1C1(NCc2c[nH]nc2-c2cccs2)CCCC1 ZINC000012147583 570723201 /nfs/dbraw/zinc/72/32/01/570723201.db2.gz IWIXYRXFXWGTGK-UHFFFAOYSA-N 0 3 353.491 4.706 40 0 FJABHN Cc1ccc(CN2CCC(C(=O)N[C@H](C)c3cc(C)ccc3C)CC2)cc1 ZINC000009062600 570797245 /nfs/dbraw/zinc/79/72/45/570797245.db2.gz HOCWFSORXUFROV-HXUWFJFHSA-N 0 3 364.533 4.701 40 0 FJABHN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1C ZINC000044856339 570867889 /nfs/dbraw/zinc/86/78/89/570867889.db2.gz VGIYDNIGQNEADS-NQIIRXRSSA-N 0 3 368.496 4.532 40 0 FJABHN Cc1ccc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000039761236 571023059 /nfs/dbraw/zinc/02/30/59/571023059.db2.gz XVGBJBAAZNNAKZ-GOSISDBHSA-N 0 3 368.496 4.532 40 0 FJABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1 ZINC000039767805 571023634 /nfs/dbraw/zinc/02/36/34/571023634.db2.gz UXVVJUMPYTVKNK-UHFFFAOYSA-N 0 3 350.506 4.969 40 0 FJABHN CC1CCN(Cc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000030941302 571052682 /nfs/dbraw/zinc/05/26/82/571052682.db2.gz ASYBKYYSCSXMRK-UHFFFAOYSA-N 0 3 366.549 4.617 40 0 FJABHN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000030945384 571053352 /nfs/dbraw/zinc/05/33/52/571053352.db2.gz SSAYPDYFGVYSCS-HNNXBMFYSA-N 0 3 363.288 4.844 40 0 FJABHN Cc1ccc(N(C)C(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1C ZINC000225904870 571079175 /nfs/dbraw/zinc/07/91/75/571079175.db2.gz JVQGAUAYLOTANY-IBGZPJMESA-N 0 3 370.924 4.832 40 0 FJABHN Cc1ccc(N(C)C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1C ZINC000225904853 571079181 /nfs/dbraw/zinc/07/91/81/571079181.db2.gz JVQGAUAYLOTANY-LJQANCHMSA-N 0 3 370.924 4.832 40 0 FJABHN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038849436 571087826 /nfs/dbraw/zinc/08/78/26/571087826.db2.gz OVBCZZJQHRBBIW-QGZVFWFLSA-N 0 3 372.896 4.508 40 0 FJABHN Cc1cccc(CN2CCC(C(=O)N[C@@H](C)c3ccc(C)c(C)c3)CC2)c1 ZINC000044856349 571103166 /nfs/dbraw/zinc/10/31/66/571103166.db2.gz GGONBHICEPJMJY-FQEVSTJZSA-N 0 3 364.533 4.701 40 0 FJABHN C[C@@H]1CC2=C(C[C@@H]1[C@H]1NC(=N)Nc3nc4ccccc4n31)C(C)(C)CCC2 ZINC000245237929 571137023 /nfs/dbraw/zinc/13/70/23/571137023.db2.gz KCELIKSTAFGHFD-WTANOLMUSA-N 0 3 363.509 4.637 40 0 FJABHN Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCN(C(=O)C3CCCC3)C2)n1 ZINC000257243627 571153592 /nfs/dbraw/zinc/15/35/92/571153592.db2.gz IHVRJUKRJLKTDQ-KRWDZBQOSA-N 0 3 367.468 4.779 40 0 FJABHN CCC(=O)N(c1ccc(Cl)cc1)C1CCN(CCc2ccccc2)CC1 ZINC000032164821 571167964 /nfs/dbraw/zinc/16/79/64/571167964.db2.gz CUGMWAHBYRKBKL-UHFFFAOYSA-N 0 3 370.924 4.790 40 0 in-vitro FJABHN Cc1cccc(Cc2cccc([C@H]3CCCN(Cc4ccncc4)C3)n2)c1 ZINC000072348813 571180276 /nfs/dbraw/zinc/18/02/76/571180276.db2.gz DAAOXGYLNRULDR-QFIPXVFZSA-N 0 3 357.501 4.755 40 0 FJABHN Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000072356005 571182249 /nfs/dbraw/zinc/18/22/49/571182249.db2.gz PBLJGXIWDFJSSZ-HSZRJFAPSA-N 0 3 357.501 4.755 40 0 FJABHN Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000072356022 571182275 /nfs/dbraw/zinc/18/22/75/571182275.db2.gz JIPHPLDEYRSMGI-QFIPXVFZSA-N 0 3 357.501 4.755 40 0 FJABHN Fc1ccc(CN2CCC[C@H](c3nccnc3-c3cccc(F)c3)C2)cc1 ZINC000072358385 571183537 /nfs/dbraw/zinc/18/35/37/571183537.db2.gz PULPOUZZLQBRGM-SFHVURJKSA-N 0 3 365.427 4.801 40 0 FJABHN Clc1cccc(-c2cncc([C@@H]3CCCN(Cc4cccnc4)C3)n2)c1 ZINC000072359405 571184157 /nfs/dbraw/zinc/18/41/57/571184157.db2.gz OTPHLUHBQKVFDB-GOSISDBHSA-N 0 3 364.880 4.572 40 0 FJABHN Cc1ccccc1-c1noc([C@H]2CCN(Cc3cccc(Cl)c3)C2)n1 ZINC000072369942 571185133 /nfs/dbraw/zinc/18/51/33/571185133.db2.gz OTGWGOKLQZVOLD-INIZCTEOSA-N 0 3 353.853 4.688 40 0 FJABHN Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN3Cc3ccccc3)n2)n1 ZINC000072375103 571185380 /nfs/dbraw/zinc/18/53/80/571185380.db2.gz OZFFTBSOIXIZSJ-FQEVSTJZSA-N 0 3 359.477 4.569 40 0 FJABHN Cc1cccc(CN2CCC[C@@H]2c2cccc(Nc3nccs3)n2)c1 ZINC000072375271 571185633 /nfs/dbraw/zinc/18/56/33/571185633.db2.gz HZMFECFILUAHKF-GOSISDBHSA-N 0 3 350.491 4.927 40 0 FJABHN CN1CCCC[C@@H]1Cn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 ZINC000045284910 571206187 /nfs/dbraw/zinc/20/61/87/571206187.db2.gz MOBWRRIAIHYXLB-MRXNPFEDSA-N 0 3 352.522 4.991 40 0 in-vitro FJABHN O=C1CC[C@]2(CCCN(Cc3cccc(F)c3)CC2)N1CC1CCCCC1 ZINC000585100751 571221948 /nfs/dbraw/zinc/22/19/48/571221948.db2.gz VKVQCNFEORKMQL-QHCPKHFHSA-N 0 3 372.528 4.753 40 0 FJABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc4ccccc4c3)CC2)c1 ZINC000009062998 571302353 /nfs/dbraw/zinc/30/23/53/571302353.db2.gz DDHADVDCKZZYDI-UHFFFAOYSA-N 0 3 358.485 4.999 40 0 FJABHN Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCN(C(=O)CC(C)C)C2)n1 ZINC000257318307 223064571 /nfs/dbraw/zinc/06/45/71/223064571.db2.gz VNIHXRHCTIWAON-MRXNPFEDSA-N 0 3 355.457 4.635 40 0 FJABHN CN1CCC(c2ccccc2)(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000001584522 204014235 /nfs/dbraw/zinc/01/42/35/204014235.db2.gz LRLNVPXQNIADKK-UHFFFAOYSA-N 0 3 357.497 4.586 40 0 FJABHN CN(C)CCOc1c(Br)cc(Cl)cc1Cc1ccccc1 ZINC000001734052 204018319 /nfs/dbraw/zinc/01/83/19/204018319.db2.gz ZAVZJICXWVJTPR-UHFFFAOYSA-N 0 3 368.702 4.634 40 0 FJABHN COc1ccc2c(c1)c(C(=O)CN1C[C@]3(C)C[C@H]1CC(C)(C)C3)c(C)n2C ZINC000002094864 204026554 /nfs/dbraw/zinc/02/65/54/204026554.db2.gz NPEAVBVVTBDHLM-WAIKUNEKSA-N 0 3 368.521 4.579 40 0 FJABHN O=C(Nc1cccc(Cl)c1)NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccco1 ZINC000004883411 204172211 /nfs/dbraw/zinc/17/22/11/204172211.db2.gz GKZBGZIXKACSPX-AYHJJNSGSA-N 0 3 373.884 4.640 40 0 FJABHN FC(F)(F)c1ccc2[nH]c([C@H]3CCN(Cc4ccsc4)C3)nc2c1 ZINC000035446711 204283095 /nfs/dbraw/zinc/28/30/95/204283095.db2.gz NOWYCCTVZNGESK-LBPRGKRZSA-N 0 3 351.397 4.633 40 0 biogenic,in-vitro FJABHN Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1C=C[C@@H](NCc2ccccc2)C1 ZINC000012603413 220012758 /nfs/dbraw/zinc/01/27/58/220012758.db2.gz CQLALPVEFAQBGB-TZIWHRDSSA-N 0 3 361.464 4.830 40 0 biogenic,in-vitro FJABHN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c(C)c1 ZINC000038833333 205042747 /nfs/dbraw/zinc/04/27/47/205042747.db2.gz ZWJRRABWTCJSDX-GOSISDBHSA-N 0 3 356.897 4.808 40 0 FJABHN O=C(Nc1cccc2ccccc21)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038834069 205043560 /nfs/dbraw/zinc/04/35/60/205043560.db2.gz QLJFMYSSRIUWDN-LJQANCHMSA-N 0 3 362.448 4.830 40 0 FJABHN Cc1cc(C)cc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 ZINC000038833527 205043707 /nfs/dbraw/zinc/04/37/07/205043707.db2.gz GTQNAWOBWQJBDB-SFHVURJKSA-N 0 3 356.897 4.808 40 0 FJABHN CSc1cccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000044786558 205109911 /nfs/dbraw/zinc/10/99/11/205109911.db2.gz XZVRZFRGAUHVRH-INIZCTEOSA-N 0 3 374.937 4.913 40 0 FJABHN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1C ZINC000044856337 205113035 /nfs/dbraw/zinc/11/30/35/205113035.db2.gz VGIYDNIGQNEADS-WIYYLYMNSA-N 0 3 368.496 4.532 40 0 FJABHN Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1C ZINC000044856400 205113071 /nfs/dbraw/zinc/11/30/71/205113071.db2.gz ZSYNBAJOVKWESP-IBGZPJMESA-N 0 3 350.506 4.780 40 0 FJABHN CCOc1cccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000044911200 205115486 /nfs/dbraw/zinc/11/54/86/205115486.db2.gz OJLGYLLGVRDTBV-KRWDZBQOSA-N 0 3 372.896 4.589 40 0 FJABHN Fc1ccccc1CN(CCCn1ccnc1)Cc1ccnc2ccccc12 ZINC000043277843 205103139 /nfs/dbraw/zinc/10/31/39/205103139.db2.gz ZPNUMYXLTAHJNC-UHFFFAOYSA-N 0 3 374.463 4.663 40 0 FJABHN CN(C)CCNc1nc(Nc2ccccc2Cl)cc(-c2ccccc2)n1 ZINC000243385335 206120182 /nfs/dbraw/zinc/12/01/82/206120182.db2.gz MJARYVUDWOPSNZ-UHFFFAOYSA-N 0 3 367.884 4.514 40 0 FJABHN O=C(CCc1ccccc1Cl)NCc1ccccc1CN1CCCCC1 ZINC000021410749 211312791 /nfs/dbraw/zinc/31/27/91/211312791.db2.gz RCTMZMKUSHFUKZ-UHFFFAOYSA-N 0 3 370.924 4.575 40 0 FJABHN C[C@@H](NCC=C(c1ccsc1)c1ccsc1)[C@@H](O)c1ccccc1 ZINC000001844844 210373480 /nfs/dbraw/zinc/37/34/80/210373480.db2.gz JQSHEDRVRBSFCZ-FOIQADDNSA-N 0 3 355.528 4.953 40 0 in-man FJABHN CCC(=O)N(c1ccccc1)C1CCN([C@H](C)Cc2cccs2)CC1 ZINC000001850108 210373067 /nfs/dbraw/zinc/37/30/67/210373067.db2.gz YPOXDUYRRSUFFG-QGZVFWFLSA-N 0 3 356.535 4.587 40 0 in-man FJABHN COc1ccc(CN2CCC3(C[C@H](OC)c4cc(C)ccc43)CC2)cc1 ZINC000096100197 222022403 /nfs/dbraw/zinc/02/24/03/222022403.db2.gz UFNPBAABHDNWKN-QFIPXVFZSA-N 0 3 351.490 4.629 40 0 FJABHN O=C(Nc1cccc(Cl)c1Cl)C1CCN(Cc2ccccc2)CC1 ZINC000039742664 263399114 /nfs/dbraw/zinc/39/91/14/263399114.db2.gz IROFOGJFIGSVLM-UHFFFAOYSA-N 0 3 363.288 4.844 40 0 FJABHN CCc1cccc(CC)c1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000039747426 263399193 /nfs/dbraw/zinc/39/91/93/263399193.db2.gz GFUNVFKEXKZEJO-UHFFFAOYSA-N 0 3 350.506 4.662 40 0 FJABHN CSc1cccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c1 ZINC000039751593 263399263 /nfs/dbraw/zinc/39/92/63/263399263.db2.gz AHVONLFDQJVLDO-UHFFFAOYSA-N 0 3 354.519 4.568 40 0 FJABHN Cc1cccc(C(C)C)c1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000039750660 263399471 /nfs/dbraw/zinc/39/94/71/263399471.db2.gz GNQHJMOOIQKERZ-UHFFFAOYSA-N 0 3 350.506 4.969 40 0 FJABHN CC[C@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccccc1 ZINC000020488133 522532028 /nfs/dbraw/zinc/53/20/28/522532028.db2.gz CBVRTABNIJJWRO-QFIPXVFZSA-N 0 3 350.506 4.800 40 0 FJABHN Cc1noc(C)c1-c1nccc([C@H]2CCCN2Cc2cccc3[nH]ccc32)n1 ZINC000585260835 570480518 /nfs/dbraw/zinc/48/05/18/570480518.db2.gz KUQMHAPVVFSMBA-HXUWFJFHSA-N 0 3 373.460 4.567 40 0 FJABHN Cc1noc(C)c1-c1cncc([C@H]2CCCN2Cc2cccc3[nH]ccc32)n1 ZINC000585260839 570480554 /nfs/dbraw/zinc/48/05/54/570480554.db2.gz UYRGELBLLGOWRY-OAQYLSRUSA-N 0 3 373.460 4.567 40 0 FJABHN Cc1noc(C)c1-c1cncc([C@@H]2CCCN2Cc2cccc3[nH]ccc32)n1 ZINC000585260838 570480564 /nfs/dbraw/zinc/48/05/64/570480564.db2.gz UYRGELBLLGOWRY-NRFANRHFSA-N 0 3 373.460 4.567 40 0 FJABHN Cc1cc(C)cc(C(=O)N(CCc2ccccc2)C2=C[C@@H]3CC[C@H](C2)N3C)c1 ZINC000001198895 570491588 /nfs/dbraw/zinc/49/15/88/570491588.db2.gz KVPMZTMVCZWXSC-XZOQPEGZSA-N 0 3 374.528 4.739 40 0 FJABHN CCCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215503 570531522 /nfs/dbraw/zinc/53/15/22/570531522.db2.gz VZSSDYRAXVOMDY-GOSISDBHSA-N 0 3 359.514 4.923 40 0 FJABHN CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1)C1CCCCC1 ZINC000072215754 570533007 /nfs/dbraw/zinc/53/30/07/570533007.db2.gz LYMPPUKKRPNPKA-SFHVURJKSA-N 0 3 359.514 4.970 40 0 FJABHN O=C(c1cccc2ccccc21)N1CCC[C@H](N2CCc3ccccc3C2)C1 ZINC000408609867 570582392 /nfs/dbraw/zinc/58/23/92/570582392.db2.gz PFEMAEAEHPLAJH-QFIPXVFZSA-N 0 3 370.496 4.503 40 0 FJABHN CCOc1ccc2ccccc2c1[C@H](Cc1ccc(Cl)cc1)NCCO ZINC000006411353 570647007 /nfs/dbraw/zinc/64/70/07/570647007.db2.gz PCQNNQHKFJDEHM-FQEVSTJZSA-N 0 3 369.892 4.758 40 0 FJABHN CSc1ccccc1NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000009063162 570797356 /nfs/dbraw/zinc/79/73/56/570797356.db2.gz MHXRKHRUPMVTAL-UHFFFAOYSA-N 0 3 354.519 4.568 40 0 FJABHN Cc1noc(-c2c[nH]nc2[C@H]2CCCCN2Cc2cccc(F)c2)c1C ZINC000019557973 570893220 /nfs/dbraw/zinc/89/32/20/570893220.db2.gz ZVOJFOLATYYFDT-GOSISDBHSA-N 0 3 354.429 4.548 40 0 FJABHN Cc1noc(-c2c[nH]nc2[C@H]2CCCCN2Cc2ccccc2F)c1C ZINC000019558008 570893345 /nfs/dbraw/zinc/89/33/45/570893345.db2.gz NYAVCEZXUOUHNO-GOSISDBHSA-N 0 3 354.429 4.548 40 0 FJABHN COc1ccc(Cl)cc1NC(=O)C1CCN(Cc2cccc(C)c2)CC1 ZINC000039756059 571025068 /nfs/dbraw/zinc/02/50/68/571025068.db2.gz BVHIGELGDKSNKJ-UHFFFAOYSA-N 0 3 372.896 4.508 40 0 FJABHN O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(Cc2ccccc2)CC1 ZINC000039755410 571025152 /nfs/dbraw/zinc/02/51/52/571025152.db2.gz ZHWHATPCZFYMQA-UHFFFAOYSA-N 0 3 362.395 4.556 40 0 FJABHN O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220803 571028043 /nfs/dbraw/zinc/02/80/43/571028043.db2.gz TYUKMOPIVKYLJJ-HNNXBMFYSA-N 0 3 363.288 4.844 40 0 FJABHN CN1CCc2ccccc2[C@@H]1Cc1cc(OCc2ccccc2)ccc1N ZINC000031938931 571056666 /nfs/dbraw/zinc/05/66/66/571056666.db2.gz GWIOQTCSMPBYMC-DEOSSOPVSA-N 0 3 358.485 4.620 40 0 FJABHN O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000225902989 571078814 /nfs/dbraw/zinc/07/88/14/571078814.db2.gz YLDSAOSSRHKURE-OAHLLOKOSA-N 0 3 363.288 4.844 40 0 FJABHN CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038856936 571088264 /nfs/dbraw/zinc/08/82/64/571088264.db2.gz YPZRMCOTCHJECI-LJQANCHMSA-N 0 3 354.469 4.547 40 0 FJABHN O=C(NCCC1=CCCCC1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038852385 571088289 /nfs/dbraw/zinc/08/82/89/571088289.db2.gz RJWKTRWFUQLKJA-IBGZPJMESA-N 0 3 360.929 4.559 40 0 FJABHN COc1ccccc1-c1cccc([C@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000072348805 571180232 /nfs/dbraw/zinc/18/02/32/571180232.db2.gz FSJUCEQLSRQFHG-IBGZPJMESA-N 0 3 359.473 4.532 40 0 FJABHN Fc1ccc(Cc2cccc(C3CCN(Cc4ccccn4)CC3)n2)cc1 ZINC000072348944 571180688 /nfs/dbraw/zinc/18/06/88/571180688.db2.gz QIQBTPHAOZKQHQ-UHFFFAOYSA-N 0 3 361.464 4.586 40 0 FJABHN Cc1ccc(-c2nnc(C3CCN(Cc4ccc(C)cc4)CC3)o2)s1 ZINC000072389938 571189234 /nfs/dbraw/zinc/18/92/34/571189234.db2.gz OPGNXEUXOJSCNM-UHFFFAOYSA-N 0 3 353.491 4.795 40 0 FJABHN O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccccc2)CC1 ZINC000009062840 571302418 /nfs/dbraw/zinc/30/24/18/571302418.db2.gz XDPOBTKBGAULNH-UHFFFAOYSA-N 0 3 363.288 4.844 40 0 FJABHN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(CN2CCCCC2)cc1 ZINC000010313827 571302883 /nfs/dbraw/zinc/30/28/83/571302883.db2.gz GXFMDOQTNYRHCV-UHFFFAOYSA-N 0 3 362.395 4.944 40 0 FJABHN Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCCN(C(=O)C(C)C)C2)n1 ZINC000257232805 223031213 /nfs/dbraw/zinc/03/12/13/223031213.db2.gz GMMHHNCRBYTWGS-MRXNPFEDSA-N 0 3 355.457 4.635 40 0 FJABHN OC1(c2cccc(C(F)(F)F)c2)CCN([C@H]2C[C@H]2c2ccccc2)CC1 ZINC000001688501 204017575 /nfs/dbraw/zinc/01/75/75/204017575.db2.gz UQNYLRPFZWLLMC-OALUTQOASA-N 0 3 361.407 4.545 40 0 FJABHN O=C(Nc1ccccc1Cl)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038833753 205042906 /nfs/dbraw/zinc/04/29/06/205042906.db2.gz ZFXVRXWNPGFHAO-OAHLLOKOSA-N 0 3 363.288 4.844 40 0 FJABHN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000038834997 205042937 /nfs/dbraw/zinc/04/29/37/205042937.db2.gz HNALCLVCBOHNMI-OAHLLOKOSA-N 0 3 363.288 4.844 40 0 FJABHN C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(F)cc1 ZINC000044933991 205116468 /nfs/dbraw/zinc/11/64/68/205116468.db2.gz VMPBYCBCKDQCOV-MAUKXSAKSA-N 0 3 374.887 4.569 40 0 FJABHN Fc1cccc(CN(CCCn2ccnc2)Cc2ccc3ccccc3n2)c1 ZINC000043277708 205102333 /nfs/dbraw/zinc/10/23/33/205102333.db2.gz LUAGGMGCHBEGMM-UHFFFAOYSA-N 0 3 374.463 4.663 40 0 FJABHN Cc1ccc(-c2nnc([C@H]3CCCN(Cc4cccc(F)c4)C3)o2)s1 ZINC000072390106 205525498 /nfs/dbraw/zinc/52/54/98/205525498.db2.gz RSVCXYAUFGBOIP-HNNXBMFYSA-N 0 3 357.454 4.625 40 0 FJABHN O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(CN2CCCC2)cc1 ZINC000073047748 136149904 /nfs/dbraw/zinc/14/99/04/136149904.db2.gz FBAYMIDLYCGXLX-UHFFFAOYSA-N 0 3 363.505 4.525 40 0 FJABHN CCOC(=O)c1ccc(-c2ccc(CNCCc3ccccc3F)o2)cc1 ZINC000022076226 263384840 /nfs/dbraw/zinc/38/48/40/263384840.db2.gz NTVZLDCMNPVEJS-UHFFFAOYSA-N 0 3 367.420 4.595 40 0 FJABHN CCc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000222613903 568545520 /nfs/dbraw/zinc/54/55/20/568545520.db2.gz JVYGXPPIDOXBOC-LJQANCHMSA-N 0 3 364.533 4.972 40 0 FJABHN C[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc2c(c1)CCC2 ZINC000223193604 568624202 /nfs/dbraw/zinc/62/42/02/568624202.db2.gz FXRDKNFKVBBZGH-SFHVURJKSA-N 0 3 362.517 4.652 40 0 FJABHN CC(C)N1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215343 570531092 /nfs/dbraw/zinc/53/10/92/570531092.db2.gz HHUANXNQLOALAU-SFHVURJKSA-N 0 3 359.514 4.921 40 0 FJABHN CC(C)N1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215442 570531473 /nfs/dbraw/zinc/53/14/73/570531473.db2.gz CGHHPTGHTAFXPX-SFHVURJKSA-N 0 3 359.514 4.921 40 0 FJABHN CCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215553 570532107 /nfs/dbraw/zinc/53/21/07/570532107.db2.gz AFVWEOWOMMLZSH-GOSISDBHSA-N 0 3 359.514 4.923 40 0 FJABHN CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1)C1CCCCC1 ZINC000072215755 570533003 /nfs/dbraw/zinc/53/30/03/570533003.db2.gz LYMPPUKKRPNPKA-GOSISDBHSA-N 0 3 359.514 4.970 40 0 FJABHN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000044933362 570539105 /nfs/dbraw/zinc/53/91/05/570539105.db2.gz SDFFYIOXHPJVSZ-XLIONFOSSA-N 0 3 370.924 4.738 40 0 FJABHN Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCCN2Cc2ccccc2)n1 ZINC000072376754 570546589 /nfs/dbraw/zinc/54/65/89/570546589.db2.gz IUVIBVBVXNWYCY-FQEVSTJZSA-N 0 3 362.452 4.592 40 0 FJABHN CC(C)Oc1ccc(CN2CCC(c3cc4ncccc4cn3)CC2)cc1 ZINC000012188684 570725414 /nfs/dbraw/zinc/72/54/14/570725414.db2.gz ADDPXFXDULTSGX-UHFFFAOYSA-N 0 3 361.489 4.797 40 0 FJABHN COc1ccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc1Cl ZINC000006297273 570780771 /nfs/dbraw/zinc/78/07/71/570780771.db2.gz WYYKMKTZZSMHHN-UHFFFAOYSA-N 0 3 358.869 4.587 40 0 FJABHN O=C(NCCN1CCCCCC1)N1c2ccccc2Sc2ccccc21 ZINC000013717295 570786456 /nfs/dbraw/zinc/78/64/56/570786456.db2.gz VTRJZXOXOPQRBO-UHFFFAOYSA-N 0 3 367.518 4.875 40 0 FJABHN CC[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(OC)cc1 ZINC000018132103 570875707 /nfs/dbraw/zinc/87/57/07/570875707.db2.gz MKKJWJGHWSIISJ-QFIPXVFZSA-N 0 3 366.505 4.562 40 0 FJABHN Cc1csc2c(C3CCN(CCCOc4ccccc4)CC3)nc(C)n12 ZINC000019240571 570884115 /nfs/dbraw/zinc/88/41/15/570884115.db2.gz LFKWXGRXFGUZBC-UHFFFAOYSA-N 0 3 369.534 4.661 40 0 FJABHN CCN(CC)C(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000037547392 570890147 /nfs/dbraw/zinc/89/01/47/570890147.db2.gz OEELIOJDCZGHJU-UHFFFAOYSA-N 0 3 364.533 4.623 40 0 FJABHN COc1ccc(Cl)cc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000020491738 570918119 /nfs/dbraw/zinc/91/81/19/570918119.db2.gz BRVPRFBTEUEKEF-UHFFFAOYSA-N 0 3 372.896 4.833 40 0 FJABHN Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000022514360 570945170 /nfs/dbraw/zinc/94/51/70/570945170.db2.gz JLHDSXYAQJERPA-LJQANCHMSA-N 0 3 350.506 4.718 40 0 FJABHN O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(CN2CCCC2)cc1 ZINC000224094823 570976898 /nfs/dbraw/zinc/97/68/98/570976898.db2.gz GGWACVLIEOPPHN-UHFFFAOYSA-N 0 3 371.484 4.521 40 0 FJABHN O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc(CN2CCCC2)cc1 ZINC000224095272 570976999 /nfs/dbraw/zinc/97/69/99/570976999.db2.gz GVFIZAVHURSWMN-UHFFFAOYSA-N 0 3 356.469 4.787 40 0 FJABHN CCc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220717 571027840 /nfs/dbraw/zinc/02/78/40/571027840.db2.gz CSMOUCKAIVJUJI-SFHVURJKSA-N 0 3 356.897 4.753 40 0 FJABHN CSc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030938036 571052817 /nfs/dbraw/zinc/05/28/17/571052817.db2.gz OJLFISNVSAMYFH-INIZCTEOSA-N 0 3 374.937 4.913 40 0 FJABHN O=C(NCCCc1ccc(Cl)cc1)c1ccc(CN2CCCCC2)cc1 ZINC000044906419 571104571 /nfs/dbraw/zinc/10/45/71/571104571.db2.gz GLFUXHZYEQQFMT-UHFFFAOYSA-N 0 3 370.924 4.689 40 0 FJABHN C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccc(F)cc1 ZINC000044934017 571105331 /nfs/dbraw/zinc/10/53/31/571105331.db2.gz HCANGIHHYOOZER-CRAIPNDOSA-N 0 3 374.887 4.569 40 0 FJABHN COc1ccccc1-c1cccc([C@@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000072348840 571180182 /nfs/dbraw/zinc/18/01/82/571180182.db2.gz JEIQMVQNDZMLRO-LJQANCHMSA-N 0 3 359.473 4.532 40 0 FJABHN Cc1cccc(Cc2cccc([C@@H]3CCCN(Cc4cccnc4)C3)n2)c1 ZINC000072348850 571180285 /nfs/dbraw/zinc/18/02/85/571180285.db2.gz BOJHKYAKSKMSBT-JOCHJYFZSA-N 0 3 357.501 4.755 40 0 FJABHN Clc1cccc(-c2nccnc2[C@@H]2CCCN(Cc3ccccn3)C2)c1 ZINC000072358620 571183491 /nfs/dbraw/zinc/18/34/91/571183491.db2.gz LSJREMGATLVNRW-QGZVFWFLSA-N 0 3 364.880 4.572 40 0 FJABHN Cc1ccc(-c2nnc([C@@H]3CCCN(Cc4cccc(F)c4)C3)o2)s1 ZINC000072390105 571189540 /nfs/dbraw/zinc/18/95/40/571189540.db2.gz RSVCXYAUFGBOIP-OAHLLOKOSA-N 0 3 357.454 4.625 40 0 FJABHN Cc1ccc(-c2nnc([C@H]3CCCN(Cc4ccc(F)cc4)C3)o2)s1 ZINC000072390094 571189668 /nfs/dbraw/zinc/18/96/68/571189668.db2.gz JVUZSILBIQMLPX-HNNXBMFYSA-N 0 3 357.454 4.625 40 0 FJABHN Cc1cc([C@@H]2CCCCCN2C[C@H](C)Cc2ccc3c(c2)OCO3)no1 ZINC000253479442 571291723 /nfs/dbraw/zinc/29/17/23/571291723.db2.gz QKSRVUXJRJEXMU-BEFAXECRSA-N 0 3 356.466 4.508 40 0 FJABHN N=C1N[C@H]([C@@H](O)c2ccccc2)[C@@H](c2ccc(-c3ccccc3)cc2)S1 ZINC000253569768 571291748 /nfs/dbraw/zinc/29/17/48/571291748.db2.gz MTLLXUNOCJBIAC-QHAWAJNXSA-N 0 3 360.482 4.558 40 0 FJABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(C)c(Cl)c3)CC2)c1 ZINC000009063018 571302380 /nfs/dbraw/zinc/30/23/80/571302380.db2.gz XOYPQGHIEMAHBO-UHFFFAOYSA-N 0 3 356.897 4.808 40 0 FJABHN Cc1ccc(CN2CCC(C(=O)Nc3cccc4ccccc43)CC2)cc1 ZINC000009063096 571302516 /nfs/dbraw/zinc/30/25/16/571302516.db2.gz DDBNOHQEOKJDFA-UHFFFAOYSA-N 0 3 358.485 4.999 40 0 FJABHN CCc1cccc(CC)c1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009063598 571302668 /nfs/dbraw/zinc/30/26/68/571302668.db2.gz CZFXJLGYHTVGLY-UHFFFAOYSA-N 0 3 368.496 4.801 40 0 FJABHN C1=C[C@H]2C[C@@H]1C[C@H]2CN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000019889677 571327743 /nfs/dbraw/zinc/32/77/43/571327743.db2.gz XGHRSOOIFQRQQF-PUHATCMVSA-N 0 3 374.528 4.809 40 0 FJABHN Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)C(C)C)C2)n1 ZINC000257271621 223045594 /nfs/dbraw/zinc/04/55/94/223045594.db2.gz MZBXMGCRVBFKNN-INIZCTEOSA-N 0 3 355.457 4.635 40 0 FJABHN CC(C)CNC(=N)Nc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 ZINC000001570844 204011786 /nfs/dbraw/zinc/01/17/86/204011786.db2.gz CYYRMFOTFFNLCL-UHFFFAOYSA-N 0 3 359.861 4.576 40 0 FJABHN CN(C)Cc1ccc(Cl)cc1C(O)(c1ccccc1)c1ccccc1 ZINC000004975100 204182389 /nfs/dbraw/zinc/18/23/89/204182389.db2.gz YNSYOGUWHDIBCL-UHFFFAOYSA-N 0 3 351.877 4.686 40 0 FJABHN CCN1CCC[C@@H]1CN(Cc1cccs1)Cc1c(C)nn(C(C)C)c1C ZINC000036741275 205020928 /nfs/dbraw/zinc/02/09/28/205020928.db2.gz CFRADDLXFKVKJF-LJQANCHMSA-N 0 3 374.598 4.629 40 0 FJABHN CCc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000038835262 205042807 /nfs/dbraw/zinc/04/28/07/205042807.db2.gz JBFLJYAULQGANJ-GOSISDBHSA-N 0 3 356.897 4.753 40 0 FJABHN CN(C(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000013670554 220082759 /nfs/dbraw/zinc/08/27/59/220082759.db2.gz ZVEIGBLTAROYMR-UHFFFAOYSA-N 0 3 356.469 4.522 40 0 FJABHN Cc1ccsc1-c1nnc(C2CCN(Cc3ccccc3C)CC2)o1 ZINC000019237169 211209086 /nfs/dbraw/zinc/20/90/86/211209086.db2.gz YOAVARKJKQVYKH-UHFFFAOYSA-N 0 3 353.491 4.795 40 0 FJABHN Cc1noc2nc([C@@H]3CCCN(Cc4cccc(C)n4)C3)cc(C(F)F)c12 ZINC000019236222 211208532 /nfs/dbraw/zinc/20/85/32/211208532.db2.gz BSHKLQNUVVOLCE-CQSZACIVSA-N 0 3 372.419 4.552 40 0 FJABHN OC1(c2cccc(C(F)(F)F)c2)CCN([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000001688498 210365935 /nfs/dbraw/zinc/36/59/35/210365935.db2.gz UQNYLRPFZWLLMC-RTBURBONSA-N 0 3 361.407 4.545 40 0 FJABHN CNc1cncc([C@H]2CCCN2Cc2ccccc2-c2ccccc2OC)n1 ZINC000257295139 533072183 /nfs/dbraw/zinc/07/21/83/533072183.db2.gz QXDIESUTBMCXKD-OAQYLSRUSA-N 0 3 374.488 4.531 40 0 FJABHN Cc1nc(NC2CCCCC2)cc(N2CCc3cc(Cl)ccc3C2)n1 ZINC000329006812 132372436 /nfs/dbraw/zinc/37/24/36/132372436.db2.gz LGCRMKNRLWYCTO-UHFFFAOYSA-N 0 3 356.901 4.746 40 0 FJABHN CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC2CCCCC2)CC1 ZINC000100750193 222251524 /nfs/dbraw/zinc/25/15/24/222251524.db2.gz PUXUBPSPQPJCSC-ZRCGQRJVSA-N 0 3 371.569 4.577 40 0 FJABHN O=C(COc1cccc2ccccc21)Nc1ccc(CN2CCCCC2)cc1 ZINC000017076656 263372322 /nfs/dbraw/zinc/37/23/22/263372322.db2.gz FJRZKAVEIMTAML-UHFFFAOYSA-N 0 3 374.484 4.843 40 0 FJABHN CN1CCC=C(C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)C1 ZINC000001655585 536350024 /nfs/dbraw/zinc/35/00/24/536350024.db2.gz CIYMYVMHWSYLLO-UHFFFAOYSA-N 0 3 356.878 4.731 40 0 FJABHN O=c1c2cc(Cl)ccc2[nH]c(-c2ccccc2)c1CN1CCCCC1 ZINC000000934619 570464018 /nfs/dbraw/zinc/46/40/18/570464018.db2.gz WDXDRAVWMFCUEO-UHFFFAOYSA-N 0 3 352.865 4.834 40 0 FJABHN CN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215788 570533029 /nfs/dbraw/zinc/53/30/29/570533029.db2.gz CSPFYTPROLJOSS-GOSISDBHSA-N 0 3 353.466 4.922 40 0 FJABHN CN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215667 570533036 /nfs/dbraw/zinc/53/30/36/570533036.db2.gz VEZCNEOJTLTVPH-SFHVURJKSA-N 0 3 359.514 4.923 40 0 FJABHN CC[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(C)cc1 ZINC000044935704 570539147 /nfs/dbraw/zinc/53/91/47/570539147.db2.gz QPKWTDWYEPBHIU-UNMCSNQZSA-N 0 3 368.496 4.614 40 0 FJABHN O=C(c1cccc2ccccc21)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000408609060 570582407 /nfs/dbraw/zinc/58/24/07/570582407.db2.gz NRSPJAWATAREDE-UHFFFAOYSA-N 0 3 370.496 4.503 40 0 FJABHN COc1ccc(CN2CCC[C@H](c3cc4ccccc4cn3)C2)c(OC)c1 ZINC000012187997 570725278 /nfs/dbraw/zinc/72/52/78/570725278.db2.gz OONUAPAENURZJM-IBGZPJMESA-N 0 3 362.473 4.632 40 0 FJABHN CC(C)[C@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1cccs1 ZINC000012200538 570727270 /nfs/dbraw/zinc/72/72/70/570727270.db2.gz QMQWRPPDAYMXEB-FQEVSTJZSA-N 0 3 374.525 4.613 40 0 FJABHN CC(C)c1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000009063561 570797565 /nfs/dbraw/zinc/79/75/65/570797565.db2.gz PJLKUCWKTWWVOC-UHFFFAOYSA-N 0 3 354.469 4.800 40 0 FJABHN Cc1ccc(-c2nnc(C3CCN(CCc4ccccc4)CC3)o2)s1 ZINC000019217825 570882272 /nfs/dbraw/zinc/88/22/72/570882272.db2.gz KMZZZDSELFVDLF-UHFFFAOYSA-N 0 3 353.491 4.529 40 0 FJABHN c1csc(-c2n[nH]cc2CN(CCc2ccccc2)Cc2ccncc2)c1 ZINC000019371159 570887971 /nfs/dbraw/zinc/88/79/71/570887971.db2.gz RWVFZWCQYXAJQA-UHFFFAOYSA-N 0 3 374.513 4.778 40 0 FJABHN CC1CCN(Cc2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2)CC1 ZINC000020461895 570917483 /nfs/dbraw/zinc/91/74/83/570917483.db2.gz KINHJALUNZBEDK-QHCPKHFHSA-N 0 3 362.517 4.726 40 0 FJABHN O=C(/C=C/c1ccc(Cl)cc1)NCc1ccccc1CN1CCCCC1 ZINC000224806192 571001348 /nfs/dbraw/zinc/00/13/48/571001348.db2.gz KYBAKJZVBBKASU-JLHYYAGUSA-N 0 3 368.908 4.656 40 0 FJABHN CCc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000225804363 571067693 /nfs/dbraw/zinc/06/76/93/571067693.db2.gz ZSYMANZCZAIEQB-IBGZPJMESA-N 0 3 364.533 4.647 40 0 FJABHN O=C(CCc1ccc(Cl)cc1)NCc1ccccc1CN1CCCCC1 ZINC000036625250 571080507 /nfs/dbraw/zinc/08/05/07/571080507.db2.gz PQGRHXVNOPHYSC-UHFFFAOYSA-N 0 3 370.924 4.575 40 0 FJABHN Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038849568 571087837 /nfs/dbraw/zinc/08/78/37/571087837.db2.gz JMOJJXHJVIMOMU-INIZCTEOSA-N 0 3 360.860 4.638 40 0 FJABHN CC[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(C)cc1C ZINC000044856660 571103489 /nfs/dbraw/zinc/10/34/89/571103489.db2.gz VGCMOMGOTUTORB-HSZRJFAPSA-N 0 3 364.533 4.783 40 0 FJABHN CC[C@H](C)NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000040413637 571140686 /nfs/dbraw/zinc/14/06/86/571140686.db2.gz VEFQGLMERPXJLP-IBGZPJMESA-N 0 3 364.533 4.670 40 0 FJABHN Cc1cccc(CN2CCC[C@H](c3cncc(Nc4ncccc4C)n3)C2)c1 ZINC000257228475 571152577 /nfs/dbraw/zinc/15/25/77/571152577.db2.gz FUAPRVVZKLARCY-FQEVSTJZSA-N 0 3 373.504 4.612 40 0 FJABHN Cc1noc(C)c1-c1nccc([C@@H]2CCCN2Cc2c[nH]c3ccccc23)n1 ZINC000257255506 571154750 /nfs/dbraw/zinc/15/47/50/571154750.db2.gz KHTJDZWTYBGSGP-FQEVSTJZSA-N 0 3 373.460 4.567 40 0 FJABHN CCCC(=O)N(c1cccc(F)c1)C1CCN(CCc2ccccc2)CC1 ZINC000575598457 571162870 /nfs/dbraw/zinc/16/28/70/571162870.db2.gz BSGQPGPNNBBEEQ-UHFFFAOYSA-N 0 3 368.496 4.666 40 0 in-vitro FJABHN Cc1ccccc1Cc1cccc(C2CCN(Cc3ccncc3)CC2)n1 ZINC000072348811 571180227 /nfs/dbraw/zinc/18/02/27/571180227.db2.gz FMTUDJHKSQRHAY-UHFFFAOYSA-N 0 3 357.501 4.755 40 0 FJABHN Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000072356006 571182399 /nfs/dbraw/zinc/18/23/99/571182399.db2.gz PBLJGXIWDFJSSZ-QHCPKHFHSA-N 0 3 357.501 4.755 40 0 FJABHN Clc1cccc(-c2nccnc2[C@@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000072358581 571183558 /nfs/dbraw/zinc/18/35/58/571183558.db2.gz JTBQRKKTDAUNPS-GOSISDBHSA-N 0 3 364.880 4.572 40 0 FJABHN Clc1cccc(-c2cncc([C@@H]3CCCN(Cc4ccncc4)C3)n2)c1 ZINC000072359398 571183832 /nfs/dbraw/zinc/18/38/32/571183832.db2.gz KKHADVPISYHYTB-GOSISDBHSA-N 0 3 364.880 4.572 40 0 FJABHN Clc1cccc(-c2cncc(C3CCN(Cc4ccccn4)CC3)n2)c1 ZINC000072359433 571184060 /nfs/dbraw/zinc/18/40/60/571184060.db2.gz VXCKPTLBMUQNEU-UHFFFAOYSA-N 0 3 364.880 4.572 40 0 FJABHN Cc1ccccc1-c1noc([C@H]2CCN(Cc3ccccc3Cl)C2)n1 ZINC000072369932 571185074 /nfs/dbraw/zinc/18/50/74/571185074.db2.gz WIHWMIWOOCZBEQ-INIZCTEOSA-N 0 3 353.853 4.688 40 0 FJABHN Cc1ccc(CN2CCC[C@H]2c2cccc(Nc3ncccn3)n2)cc1C ZINC000072375798 571185820 /nfs/dbraw/zinc/18/58/20/571185820.db2.gz NEUPZJBLTYHRNP-FQEVSTJZSA-N 0 3 359.477 4.569 40 0 FJABHN Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2Cc2ccccc2)n1 ZINC000072376749 571186125 /nfs/dbraw/zinc/18/61/25/571186125.db2.gz FNXSINYEJKJKHM-HXUWFJFHSA-N 0 3 362.452 4.592 40 0 FJABHN CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC2CCCCC2)CC1 ZINC000257288610 571205903 /nfs/dbraw/zinc/20/59/03/571205903.db2.gz PUXUBPSPQPJCSC-JTAQYXEDSA-N 0 3 371.569 4.577 40 0 FJABHN CCCCc1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000009062837 571302421 /nfs/dbraw/zinc/30/24/21/571302421.db2.gz VGPVFIBMHGURFM-UHFFFAOYSA-N 0 3 350.506 4.880 40 0 FJABHN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(CN2CCCCC2)cc1 ZINC000010326529 571303089 /nfs/dbraw/zinc/30/30/89/571303089.db2.gz XFBQSVZNGCZSOW-UHFFFAOYSA-N 0 3 362.395 4.944 40 0 FJABHN Cc1cc(NC(=O)c2ccc(CN3CCCC3)cc2)ccc1Br ZINC000010338993 571303215 /nfs/dbraw/zinc/30/32/15/571303215.db2.gz UYCGCKSNWCSVQG-UHFFFAOYSA-N 0 3 373.294 4.606 40 0 FJABHN O=C1[C@H](C2CCN(Cc3ccccc3)CC2)CC=CCN1Cc1ccccc1 ZINC000019695961 571327145 /nfs/dbraw/zinc/32/71/45/571327145.db2.gz XWZQZZKOELBRBO-DEOSSOPVSA-N 0 3 374.528 4.504 40 0 FJABHN CC(C)c1ccccc1OC[C@H](O)CN1CCC(Cc2ccccc2)CC1 ZINC000002694359 204052497 /nfs/dbraw/zinc/05/24/97/204052497.db2.gz MBUFPEQXFYNLOA-JOCHJYFZSA-N 0 3 367.533 4.504 40 0 FJABHN COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2cccc(F)c2)cc1 ZINC000005155758 204194452 /nfs/dbraw/zinc/19/44/52/204194452.db2.gz UVOCKBWJADXADZ-VABKMULXSA-N 0 3 369.480 4.703 40 0 FJABHN Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038849625 205042313 /nfs/dbraw/zinc/04/23/13/205042313.db2.gz IGWUJLCEUCKWPH-MRXNPFEDSA-N 0 3 360.860 4.638 40 0 FJABHN CCN1CCC[C@H]1CN(Cc1cccs1)Cc1c(C)nn(C(C)C)c1C ZINC000036741276 205021376 /nfs/dbraw/zinc/02/13/76/205021376.db2.gz CFRADDLXFKVKJF-IBGZPJMESA-N 0 3 374.598 4.629 40 0 FJABHN Cc1cccc(C)c1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038833462 205042838 /nfs/dbraw/zinc/04/28/38/205042838.db2.gz WLSONQXVTOPOAU-SFHVURJKSA-N 0 3 356.897 4.808 40 0 FJABHN Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)c1 ZINC000044905899 205115147 /nfs/dbraw/zinc/11/51/47/205115147.db2.gz ZSGFEKSKZACRQP-LJQANCHMSA-N 0 3 350.506 4.780 40 0 FJABHN CCSc1ccccc1NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000044938609 205115884 /nfs/dbraw/zinc/11/58/84/205115884.db2.gz JHDRKXOOTGJKBH-UHFFFAOYSA-N 0 3 368.546 4.958 40 0 FJABHN C[C@H]1CC2=C(C[C@@H]1[C@@H]1NC(=N)Nc3nc4ccccc4n31)C(C)(C)CCC2 ZINC000053944161 205196071 /nfs/dbraw/zinc/19/60/71/205196071.db2.gz KCELIKSTAFGHFD-ZUEVXXBESA-N 0 3 363.509 4.637 40 0 FJABHN CCCSc1ncc(CNC2(c3ccc(OC)cc3)CCCC2)cn1 ZINC000057822961 205246195 /nfs/dbraw/zinc/24/61/95/205246195.db2.gz RBVGYIXCCGMLEP-UHFFFAOYSA-N 0 3 357.523 4.546 40 0 FJABHN c1ccc(-c2nnc(SCCN3CCCCC3)n2-c2ccccc2)cc1 ZINC000000860553 206136354 /nfs/dbraw/zinc/13/63/54/206136354.db2.gz RWXXRWKESYQAKM-UHFFFAOYSA-N 0 3 364.518 4.512 40 0 FJABHN Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000022514355 211352271 /nfs/dbraw/zinc/35/22/71/211352271.db2.gz JLHDSXYAQJERPA-IBGZPJMESA-N 0 3 350.506 4.718 40 0 FJABHN Cc1cc(C[C@@H]2CCC[C@H]2N(Cc2cccs2)Cc2ccncc2)on1 ZINC000019120496 211201834 /nfs/dbraw/zinc/20/18/34/211201834.db2.gz CNRFVWGKIQCBAL-GHTZIAJQSA-N 0 3 367.518 4.853 40 0 FJABHN CC[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(OC)cc1 ZINC000018132102 211191759 /nfs/dbraw/zinc/19/17/59/211191759.db2.gz MKKJWJGHWSIISJ-JOCHJYFZSA-N 0 3 366.505 4.562 40 0 FJABHN COc1cccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)C(C)C)C3)c2)c1 ZINC000257291192 533620587 /nfs/dbraw/zinc/62/05/87/533620587.db2.gz QGBDNUOOOPABMT-KRWDZBQOSA-N 0 3 367.493 4.504 40 0 FJABHN Cn1cnc2c1cc(C1CCN(Cc3ccco3)CC1)nc2-c1ccccc1 ZINC000096099922 222021991 /nfs/dbraw/zinc/02/19/91/222021991.db2.gz ZYINDPRIOYADSY-UHFFFAOYSA-N 0 3 372.472 4.608 40 0 FJABHN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(CN2CCCCC2)cc1 ZINC000017073411 263371462 /nfs/dbraw/zinc/37/14/62/263371462.db2.gz GUGWDNBEHLSAHR-MDWZMJQESA-N 0 3 354.881 4.978 40 0 FJABHN O=C(COc1ccc2ccccc2c1)Nc1ccc(CN2CCCCC2)cc1 ZINC000017076655 263372180 /nfs/dbraw/zinc/37/21/80/263372180.db2.gz OWAIEBRDAITWTH-UHFFFAOYSA-N 0 3 374.484 4.843 40 0 FJABHN CCOC(=O)c1ccc(-c2ccc(CNCCc3ccc(F)cc3)o2)cc1 ZINC000022076228 263385031 /nfs/dbraw/zinc/38/50/31/263385031.db2.gz HMPXENXRUDGFSH-UHFFFAOYSA-N 0 3 367.420 4.595 40 0 FJABHN COc1ccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)CC(C)C)C3)c2)cc1 ZINC000257324180 534192032 /nfs/dbraw/zinc/19/20/32/534192032.db2.gz WNOFXTDYWPXWCO-QGZVFWFLSA-N 0 3 367.493 4.504 40 0 FJABHN CC[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(C)cc1 ZINC000020044876 522782617 /nfs/dbraw/zinc/78/26/17/522782617.db2.gz XVRCPAGGYBLPKO-JOCHJYFZSA-N 0 3 350.506 4.862 40 0 FJABHN CC(C)CN1CCC[C@H]1c1nc(-c2ccc(OC3CCCCC3)nc2)no1 ZINC000035425512 560080261 /nfs/dbraw/zinc/08/02/61/560080261.db2.gz ASPNREICVDRVDX-SFHVURJKSA-N 0 3 370.497 4.636 40 0 biogenic,in-vitro FJABHN CC(C)N1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215441 570531696 /nfs/dbraw/zinc/53/16/96/570531696.db2.gz CGHHPTGHTAFXPX-GOSISDBHSA-N 0 3 359.514 4.921 40 0 FJABHN CN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215576 570532227 /nfs/dbraw/zinc/53/22/27/570532227.db2.gz OLWOHLVAFVNJFR-SFHVURJKSA-N 0 3 359.514 4.923 40 0 FJABHN Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c(C)c1 ZINC000044934860 570539260 /nfs/dbraw/zinc/53/92/60/570539260.db2.gz YWLNRFLHNUCKAM-ICSRJNTNSA-N 0 3 368.496 4.532 40 0 FJABHN Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCCN2Cc2ccccc2)n1 ZINC000072376753 570546851 /nfs/dbraw/zinc/54/68/51/570546851.db2.gz IUVIBVBVXNWYCY-HXUWFJFHSA-N 0 3 362.452 4.592 40 0 FJABHN CCC[C@@]1(O)C[C@H](c2ccc(OC)cc2)N[C@H](c2ccc(OC)cc2)[C@@H]1C ZINC000004100018 570576037 /nfs/dbraw/zinc/57/60/37/570576037.db2.gz XVMYIMXBHZVAHC-AZIXLERZSA-N 0 3 369.505 4.647 40 0 FJABHN O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(CN2CCCCC2)cc1 ZINC000010430416 570700717 /nfs/dbraw/zinc/70/07/17/570700717.db2.gz KNDIFSOJGOBJSW-UHFFFAOYSA-N 0 3 363.505 4.525 40 0 FJABHN O=C(NCc1ccccc1CN1CCCCC1)Nc1cccc(Cl)c1 ZINC000018177319 570876228 /nfs/dbraw/zinc/87/62/28/570876228.db2.gz YCUSFEYKEUVPNT-UHFFFAOYSA-N 0 3 357.885 4.648 40 0 FJABHN O=C(/C=C/c1ccccc1Cl)NCc1ccccc1CN1CCCCC1 ZINC000224805963 571001306 /nfs/dbraw/zinc/00/13/06/571001306.db2.gz XKGUAZQCZWYAGZ-OUKQBFOZSA-N 0 3 368.908 4.656 40 0 FJABHN CCc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220714 571027793 /nfs/dbraw/zinc/02/77/93/571027793.db2.gz CSMOUCKAIVJUJI-GOSISDBHSA-N 0 3 356.897 4.753 40 0 FJABHN CCOc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 ZINC000028220567 571027969 /nfs/dbraw/zinc/02/79/69/571027969.db2.gz NMGLLLMYBLLZQZ-KRWDZBQOSA-N 0 3 372.896 4.589 40 0 FJABHN S=C(Nc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC000035311838 571076394 /nfs/dbraw/zinc/07/63/94/571076394.db2.gz UGEXXCHEIXWTRU-SEJPIABJSA-N 0 3 365.546 4.559 40 0 FJABHN CCOc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038834283 571086976 /nfs/dbraw/zinc/08/69/76/571086976.db2.gz FERWOKBIOOTKRM-KRWDZBQOSA-N 0 3 372.896 4.589 40 0 FJABHN O=C(Nc1ccccc1Cl)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038833752 571087349 /nfs/dbraw/zinc/08/73/49/571087349.db2.gz ZFXVRXWNPGFHAO-HNNXBMFYSA-N 0 3 363.288 4.844 40 0 FJABHN CSc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000044786557 571102108 /nfs/dbraw/zinc/10/21/08/571102108.db2.gz XZVRZFRGAUHVRH-MRXNPFEDSA-N 0 3 374.937 4.913 40 0 FJABHN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1C ZINC000044856338 571103091 /nfs/dbraw/zinc/10/30/91/571103091.db2.gz VGIYDNIGQNEADS-GHTZIAJQSA-N 0 3 368.496 4.532 40 0 FJABHN Cc1ccc(CN2CCC(C(=O)N[C@H](C)c3ccc(C)c(C)c3)CC2)cc1 ZINC000044856352 571103173 /nfs/dbraw/zinc/10/31/73/571103173.db2.gz MAIRXFWYQHPQOP-HXUWFJFHSA-N 0 3 364.533 4.701 40 0 FJABHN CC[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(C)cc1C ZINC000044856659 571103495 /nfs/dbraw/zinc/10/34/95/571103495.db2.gz VGCMOMGOTUTORB-QHCPKHFHSA-N 0 3 364.533 4.783 40 0 FJABHN C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000044912825 571104987 /nfs/dbraw/zinc/10/49/87/571104987.db2.gz SVAWLAPZEJNREM-QFBILLFUSA-N 0 3 368.908 4.530 40 0 FJABHN C[C@@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc(F)cc1 ZINC000044934274 571105254 /nfs/dbraw/zinc/10/52/54/571105254.db2.gz XRDDUDMRCSNSIE-QGZVFWFLSA-N 0 3 354.469 4.549 40 0 FJABHN CCSc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044938580 571105275 /nfs/dbraw/zinc/10/52/75/571105275.db2.gz YWHAKFKWUBZTFR-QGZVFWFLSA-N 0 3 372.509 4.788 40 0 FJABHN CCSc1ccccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000044938647 571105315 /nfs/dbraw/zinc/10/53/15/571105315.db2.gz LKOJYAWGNFFOMA-UHFFFAOYSA-N 0 3 372.509 4.788 40 0 FJABHN CC(C)C[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000044936813 571105338 /nfs/dbraw/zinc/10/53/38/571105338.db2.gz KBUVOIIFULJJIK-HSZRJFAPSA-N 0 3 364.533 4.802 40 0 FJABHN Cc1noc(C)c1-c1nccc([C@H]2CCCN2Cc2c[nH]c3ccccc23)n1 ZINC000257255507 571154733 /nfs/dbraw/zinc/15/47/33/571154733.db2.gz KHTJDZWTYBGSGP-HXUWFJFHSA-N 0 3 373.460 4.567 40 0 FJABHN COc1cccc(-c2cccc([C@H]3CCCN(Cc4cccnc4)C3)n2)c1 ZINC000072348843 571180316 /nfs/dbraw/zinc/18/03/16/571180316.db2.gz GXDYPEKTNDEOIE-FQEVSTJZSA-N 0 3 359.473 4.532 40 0 FJABHN Fc1ccccc1Cc1cccc([C@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000072348854 571180491 /nfs/dbraw/zinc/18/04/91/571180491.db2.gz SFLHXKNHWLPAAR-FQEVSTJZSA-N 0 3 361.464 4.586 40 0 FJABHN Clc1ccccc1CN1CCC[C@H](c2nnc(-c3cccs3)o2)C1 ZINC000072390075 571189638 /nfs/dbraw/zinc/18/96/38/571189638.db2.gz LJYBXIGTMOEAPK-AWEZNQCLSA-N 0 3 359.882 4.831 40 0 FJABHN Clc1ccccc1CN1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 ZINC000072390076 571189679 /nfs/dbraw/zinc/18/96/79/571189679.db2.gz LJYBXIGTMOEAPK-CQSZACIVSA-N 0 3 359.882 4.831 40 0 FJABHN Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCN(C(=O)CC(C)C)C2)n1 ZINC000257318306 223065017 /nfs/dbraw/zinc/06/50/17/223065017.db2.gz VNIHXRHCTIWAON-INIZCTEOSA-N 0 3 355.457 4.635 40 0 FJABHN Cc1ccsc1-c1nnc(C2CCN(Cc3ccc(C)cc3)CC2)o1 ZINC000019210207 220239617 /nfs/dbraw/zinc/23/96/17/220239617.db2.gz PTEXMEOTBQIBHY-UHFFFAOYSA-N 0 3 353.491 4.795 40 0 FJABHN Cc1noc(-c2c[nH]nc2[C@@H]2CCCN2Cc2cccc(Cl)c2)c1C ZINC000019558081 220271396 /nfs/dbraw/zinc/27/13/96/220271396.db2.gz TWHMSVVCNMUREH-KRWDZBQOSA-N 0 3 356.857 4.672 40 0 FJABHN Cc1noc(-c2c[nH]nc2[C@@H]2CCCCN2Cc2cccc(F)c2)c1C ZINC000019557970 220271420 /nfs/dbraw/zinc/27/14/20/220271420.db2.gz ZVOJFOLATYYFDT-SFHVURJKSA-N 0 3 354.429 4.548 40 0 FJABHN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccc(C)cc2)cc1 ZINC000005164653 207084127 /nfs/dbraw/zinc/08/41/27/207084127.db2.gz HMOJGKUPOBIJBW-SGNDLWITSA-N 0 3 365.517 4.872 40 0 FJABHN Cc1ccc(C[C@]2(C)N[C@@H](c3ccccc3)C(C)=C[C@@H]2[C@H](O)C(C)C)nc1 ZINC000005389724 207098187 /nfs/dbraw/zinc/09/81/87/207098187.db2.gz LLQAHZZCUBNWMJ-YCAMKHIRSA-N 0 3 364.533 4.615 40 0 FJABHN Cc1ccc(CN2[C@@H]3CCC[C@H]2CC(NC(=O)NC2CCCCC2)C3)cc1 ZINC000012499305 207383465 /nfs/dbraw/zinc/38/34/65/207383465.db2.gz CJXAPECVTXGGGB-FRIKZZABSA-N 0 3 369.553 4.512 40 0 FJABHN Cc1noc2nc([C@H]3CCCN(Cc4cccc(C)n4)C3)cc(C(F)F)c12 ZINC000019236223 207651383 /nfs/dbraw/zinc/65/13/83/207651383.db2.gz BSHKLQNUVVOLCE-AWEZNQCLSA-N 0 3 372.419 4.552 40 0 FJABHN O=C(NC1CCCCCCC1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030944006 208008575 /nfs/dbraw/zinc/00/85/75/208008575.db2.gz VQORJZJXOCTZCI-GOSISDBHSA-N 0 3 362.945 4.781 40 0 FJABHN FC(F)(F)Oc1ccc(CN2CC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000035446528 208124636 /nfs/dbraw/zinc/12/46/36/208124636.db2.gz QSZCNPIMKZCFCG-AWEZNQCLSA-N 0 3 362.351 4.716 40 0 biogenic,in-vitro FJABHN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c(C)c1 ZINC000038833337 208206482 /nfs/dbraw/zinc/20/64/82/208206482.db2.gz VZGCPNLIKRYNKH-GOSISDBHSA-N 0 3 356.897 4.808 40 0 FJABHN Cc1cc(C)c(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c(C)c1 ZINC000038856092 208207534 /nfs/dbraw/zinc/20/75/34/208207534.db2.gz APPGOWJQSGFYEY-LJQANCHMSA-N 0 3 354.469 4.602 40 0 FJABHN CC1CCN(Cc2ccc(C(=O)NCc3ccccc3Cl)cc2)CC1 ZINC000038857429 208208457 /nfs/dbraw/zinc/20/84/57/208208457.db2.gz KZQLGWIOLVYLME-UHFFFAOYSA-N 0 3 356.897 4.502 40 0 FJABHN Cc1cccc(C)c1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038833458 208205284 /nfs/dbraw/zinc/20/52/84/208205284.db2.gz DLIURSFFQPDCRL-SFHVURJKSA-N 0 3 356.897 4.808 40 0 FJABHN Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1C ZINC000044856399 208320611 /nfs/dbraw/zinc/32/06/11/208320611.db2.gz ZSYNBAJOVKWESP-LJQANCHMSA-N 0 3 350.506 4.780 40 0 FJABHN Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)c1 ZINC000044905901 208323498 /nfs/dbraw/zinc/32/34/98/208323498.db2.gz ZSGFEKSKZACRQP-IBGZPJMESA-N 0 3 350.506 4.780 40 0 FJABHN Fc1ccc(CN2CC[C@H](c3nnc(-c4ccc(Cl)cc4)o3)C2)cc1 ZINC000049169415 221020420 /nfs/dbraw/zinc/02/04/20/221020420.db2.gz HOQBLBLEFMOKEA-HNNXBMFYSA-N 0 3 357.816 4.519 40 0 biogenic,in-vitro FJABHN COc1cccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)CC(C)C)C3)c2)c1 ZINC000257215476 533619882 /nfs/dbraw/zinc/61/98/82/533619882.db2.gz CQGIWNDCOMUTIZ-QGZVFWFLSA-N 0 3 367.493 4.504 40 0 FJABHN Cc1nc(NCc2ccccc2)cc(N2Cc3ccccc3C(C)(C)C2)n1 ZINC000328967571 132371801 /nfs/dbraw/zinc/37/18/01/132371801.db2.gz CVRZUYAKAGRPTD-UHFFFAOYSA-N 0 3 358.489 4.695 40 0 FJABHN Cc1ccc(CN2CCC3(CCC(=O)N3Cc3cccc(C)c3)CC2)s1 ZINC000096049437 222001542 /nfs/dbraw/zinc/00/15/42/222001542.db2.gz PBYYBBJCCCZLQC-UHFFFAOYSA-N 0 3 368.546 4.522 40 0 FJABHN Cc1cccc(CN2CCC(C(=O)Nc3c(C)cc(C)cc3C)CC2)c1 ZINC000039744247 263399158 /nfs/dbraw/zinc/39/91/58/263399158.db2.gz YDCWURBYAIWVRE-UHFFFAOYSA-N 0 3 350.506 4.771 40 0 FJABHN c1ccc(-n2nc3c(c2OCCN2CCCC2)CCCc2ccccc2-3)cc1 ZINC000001729462 570506015 /nfs/dbraw/zinc/50/60/15/570506015.db2.gz WUKPLRBLPUKDLI-UHFFFAOYSA-N 0 3 373.500 4.503 40 0 FJABHN CCCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215443 570531629 /nfs/dbraw/zinc/53/16/29/570531629.db2.gz LMECLZAKCFBOCZ-GOSISDBHSA-N 0 3 359.514 4.923 40 0 FJABHN CCCN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215504 570531688 /nfs/dbraw/zinc/53/16/88/570531688.db2.gz VZSSDYRAXVOMDY-SFHVURJKSA-N 0 3 359.514 4.923 40 0 FJABHN CN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215668 570532912 /nfs/dbraw/zinc/53/29/12/570532912.db2.gz VEZCNEOJTLTVPH-GOSISDBHSA-N 0 3 359.514 4.923 40 0 FJABHN Cc1cc(C)cc(NC(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2cccs2)c1 ZINC000004886424 570612264 /nfs/dbraw/zinc/61/22/64/570612264.db2.gz IRLUKAZRDUMIGH-YQQQUEKLSA-N 0 3 369.534 4.682 40 0 FJABHN CCCCOc1ccc(C(=O)OCCN(CC)CC)cc1OCCCC ZINC000005420718 570626735 /nfs/dbraw/zinc/62/67/35/570626735.db2.gz HPPCTOMGOMKUTJ-UHFFFAOYSA-N 0 3 365.514 4.543 40 0 FJABHN Cc1noc(-c2c[nH]nc2[C@@H]2CCCCN2Cc2ccc(F)cc2)c1C ZINC000019557947 570893176 /nfs/dbraw/zinc/89/31/76/570893176.db2.gz DOHQHWHAIXJTPI-SFHVURJKSA-N 0 3 354.429 4.548 40 0 FJABHN Cc1ccc(CN2CCC(C(=O)Nc3cccc(OC(C)C)c3)CC2)cc1 ZINC000039772941 571023987 /nfs/dbraw/zinc/02/39/87/571023987.db2.gz LYOUEHNSTPGBKD-UHFFFAOYSA-N 0 3 366.505 4.633 40 0 FJABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(Cl)cc3C)CC2)cc1 ZINC000039772468 571024149 /nfs/dbraw/zinc/02/41/49/571024149.db2.gz WFTQFPXEBJWXLE-UHFFFAOYSA-N 0 3 356.897 4.808 40 0 FJABHN CCc1cccc(C)c1NC(=O)C1CCN(Cc2cccc(C)c2)CC1 ZINC000039758143 571026296 /nfs/dbraw/zinc/02/62/96/571026296.db2.gz PQIUBHCFKWREGF-UHFFFAOYSA-N 0 3 350.506 4.717 40 0 FJABHN O=C(Nc1ccccc1Cl)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038833756 571087203 /nfs/dbraw/zinc/08/72/03/571087203.db2.gz RYVXOAAXHSHOBG-OAHLLOKOSA-N 0 3 363.288 4.844 40 0 FJABHN O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038833813 571087270 /nfs/dbraw/zinc/08/72/70/571087270.db2.gz TVJITKREZZKUPD-HNNXBMFYSA-N 0 3 363.288 4.844 40 0 FJABHN COc1ccc(C)cc1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038849437 571087767 /nfs/dbraw/zinc/08/77/67/571087767.db2.gz OVBCZZJQHRBBIW-KRWDZBQOSA-N 0 3 372.896 4.508 40 0 FJABHN CC(C)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038856713 571088325 /nfs/dbraw/zinc/08/83/25/571088325.db2.gz AUXPFVHMGFJFPV-GOSISDBHSA-N 0 3 354.469 4.800 40 0 FJABHN CCSc1ccccc1NC(=O)C1CCN(Cc2cccc(C)c2)CC1 ZINC000044938604 571105238 /nfs/dbraw/zinc/10/52/38/571105238.db2.gz RNMCWTVJZMFUCU-UHFFFAOYSA-N 0 3 368.546 4.958 40 0 FJABHN Brc1cccc(-c2nc3cc(CN4CCCC4)ccc3o2)c1 ZINC000216839081 571149006 /nfs/dbraw/zinc/14/90/06/571149006.db2.gz JURJODJRBLXGMZ-UHFFFAOYSA-N 0 3 357.251 4.853 40 0 FJABHN Cc1cccc(Cc2cccc([C@@H]3CCCN(Cc4ccncc4)C3)n2)c1 ZINC000072348812 571180268 /nfs/dbraw/zinc/18/02/68/571180268.db2.gz DAAOXGYLNRULDR-JOCHJYFZSA-N 0 3 357.501 4.755 40 0 FJABHN COc1ccccc1-c1cccc([C@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000072348841 571180279 /nfs/dbraw/zinc/18/02/79/571180279.db2.gz JEIQMVQNDZMLRO-IBGZPJMESA-N 0 3 359.473 4.532 40 0 FJABHN COc1ccccc1-c1cccc([C@@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000072348804 571180331 /nfs/dbraw/zinc/18/03/31/571180331.db2.gz FSJUCEQLSRQFHG-LJQANCHMSA-N 0 3 359.473 4.532 40 0 FJABHN COc1ccc(-c2cccc([C@H]3CCCN(Cc4ccccn4)C3)n2)cc1 ZINC000072348932 571180507 /nfs/dbraw/zinc/18/05/07/571180507.db2.gz KKVSWUGRTVSHIQ-IBGZPJMESA-N 0 3 359.473 4.532 40 0 FJABHN Fc1ccc(Cc2cccc([C@H]3CCCN(Cc4cccnc4)C3)n2)cc1 ZINC000072348857 571180510 /nfs/dbraw/zinc/18/05/10/571180510.db2.gz RAOADBSCKCUAAH-FQEVSTJZSA-N 0 3 361.464 4.586 40 0 FJABHN Fc1ccc(Cc2cccc([C@@H]3CCCN(Cc4cccnc4)C3)n2)cc1 ZINC000072348856 571180617 /nfs/dbraw/zinc/18/06/17/571180617.db2.gz RAOADBSCKCUAAH-HXUWFJFHSA-N 0 3 361.464 4.586 40 0 FJABHN Cn1cc(CN2CCC[C@H](c3cccc(-c4cccc(Cl)c4)n3)C2)cn1 ZINC000072349964 571181495 /nfs/dbraw/zinc/18/14/95/571181495.db2.gz KKEQGYHYBCVIFP-SFHVURJKSA-N 0 3 366.896 4.515 40 0 FJABHN Clc1cccc(-c2cncc([C@H]3CCCN(Cc4ccncc4)C3)n2)c1 ZINC000072359399 571183849 /nfs/dbraw/zinc/18/38/49/571183849.db2.gz KKHADVPISYHYTB-SFHVURJKSA-N 0 3 364.880 4.572 40 0 FJABHN O=C1CC[C@@]2(CCCN(Cc3cccc(F)c3)CC2)N1CC1CCCCC1 ZINC000585100750 571221941 /nfs/dbraw/zinc/22/19/41/571221941.db2.gz VKVQCNFEORKMQL-HSZRJFAPSA-N 0 3 372.528 4.753 40 0 FJABHN CCC(=O)N(c1ccccc1)C1CCN([C@@H](C)Cc2cccs2)CC1 ZINC000001850106 571249478 /nfs/dbraw/zinc/24/94/78/571249478.db2.gz YPOXDUYRRSUFFG-KRWDZBQOSA-N 0 3 356.535 4.587 40 0 in-man FJABHN Cc1ccc(CN2CCC(C(=O)NCc3ccc4ccccc4c3)CC2)cc1 ZINC000222799759 222751142 /nfs/dbraw/zinc/75/11/42/222751142.db2.gz QCYJMRAWOQVSBH-UHFFFAOYSA-N 0 3 372.512 4.677 40 0 FJABHN Cc1cc([C@H]2CCCCCN2C[C@@H](C)Cc2ccc3c(c2)OCO3)no1 ZINC000019119371 220235814 /nfs/dbraw/zinc/23/58/14/220235814.db2.gz QKSRVUXJRJEXMU-HNAYVOBHSA-N 0 3 356.466 4.508 40 0 FJABHN Cc1ccc(-c2nnc(C3CCN(Cc4ccccc4C)CC3)o2)s1 ZINC000019237171 220242966 /nfs/dbraw/zinc/24/29/66/220242966.db2.gz YBODYVPMTYCQST-UHFFFAOYSA-N 0 3 353.491 4.795 40 0 FJABHN Cc1nn(-c2ccccc2C)c(C)c1CN(C)Cc1cccc2ncccc12 ZINC000019237576 220243319 /nfs/dbraw/zinc/24/33/19/220243319.db2.gz WIKURSNHYJEFNJ-UHFFFAOYSA-N 0 3 370.500 4.978 40 0 FJABHN CCOc1ccc2c(ccc(/C=C\c3cc(C)c4cccnc4c3[O-])[n+]2C)c1 ZINC000004823027 207052997 /nfs/dbraw/zinc/05/29/97/207052997.db2.gz VWLPEJSPURQONM-UHFFFAOYSA-O 0 3 371.460 4.796 40 0 in-vitro FJABHN Cc1ccc(C[C@]2(C)N[C@@H](c3ccccc3)C(C)=C[C@H]2[C@H](O)C(C)C)nc1 ZINC000005389722 207098606 /nfs/dbraw/zinc/09/86/06/207098606.db2.gz LLQAHZZCUBNWMJ-KEZOAJOQSA-N 0 3 364.533 4.615 40 0 FJABHN CC(C)c1ccc(CN2CCC(c3noc(-c4ccccn4)n3)CC2)cc1 ZINC000012220484 207348707 /nfs/dbraw/zinc/34/87/07/207348707.db2.gz WEGHNNBCDPGEBA-UHFFFAOYSA-N 0 3 362.477 4.635 40 0 FJABHN O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038833814 208205823 /nfs/dbraw/zinc/20/58/23/208205823.db2.gz TVJITKREZZKUPD-OAHLLOKOSA-N 0 3 363.288 4.844 40 0 FJABHN CC[C@@H](NC(=O)C1CCN(Cc2cccc(C)c2)CC1)c1ccc(C)cc1 ZINC000044935736 208321363 /nfs/dbraw/zinc/32/13/63/208321363.db2.gz VMJVPSFFSMJPQT-HSZRJFAPSA-N 0 3 364.533 4.783 40 0 FJABHN O=C1[C@@H](C2CCN(Cc3ccccc3)CC2)CC=CCN1Cc1ccccc1 ZINC000019695960 220286033 /nfs/dbraw/zinc/28/60/33/220286033.db2.gz XWZQZZKOELBRBO-XMMPIXPASA-N 0 3 374.528 4.504 40 0 FJABHN COc1ccc(-c2ccc(CN[C@@H](C)[C@@H](O)c3ccccc3)o2)cc1Cl ZINC000022107375 263384970 /nfs/dbraw/zinc/38/49/70/263384970.db2.gz ITAYADLKRQMDPZ-LHSJRXKWSA-N 0 3 371.864 4.820 40 0 FJABHN c1ccc(O[C@H]2COCCN(Cc3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000077265826 560046383 /nfs/dbraw/zinc/04/63/83/560046383.db2.gz WLUVZVKEQIMZIY-XMMPIXPASA-N 0 3 359.469 4.633 40 0 biogenic,in-vitro FJABHN CCCC(=O)N(c1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1 ZINC000215769569 568087923 /nfs/dbraw/zinc/08/79/23/568087923.db2.gz QZFMCYUBPSLOBP-UHFFFAOYSA-N 0 3 368.496 4.666 40 0 in-vitro FJABHN O=C(NCc1cccc2ccccc21)c1ccc(CN2CCCCC2)cc1 ZINC000222855768 568572693 /nfs/dbraw/zinc/57/26/93/568572693.db2.gz QLJIAGZEMSMNJF-UHFFFAOYSA-N 0 3 358.485 4.756 40 0 FJABHN Cc1cc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccccc3)CC2)cc1C ZINC000223469502 568659309 /nfs/dbraw/zinc/65/93/09/568659309.db2.gz AFZWNSJKKWETDI-FQEVSTJZSA-N 0 3 364.533 4.701 40 0 FJABHN Cc1noc(C)c1-c1nccc([C@@H]2CCCN2Cc2cccc3[nH]ccc32)n1 ZINC000585260834 570480455 /nfs/dbraw/zinc/48/04/55/570480455.db2.gz KUQMHAPVVFSMBA-FQEVSTJZSA-N 0 3 373.460 4.567 40 0 FJABHN OC1(c2cccc(C(F)(F)F)c2)CCN([C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000001688499 570504541 /nfs/dbraw/zinc/50/45/41/570504541.db2.gz UQNYLRPFZWLLMC-RBUKOAKNSA-N 0 3 361.407 4.545 40 0 FJABHN C[C@H](NCC=C(c1ccsc1)c1ccsc1)[C@@H](O)c1ccccc1 ZINC000001844848 570508670 /nfs/dbraw/zinc/50/86/70/570508670.db2.gz JQSHEDRVRBSFCZ-MGPUTAFESA-N 0 3 355.528 4.953 40 0 in-man FJABHN CCN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215459 570531481 /nfs/dbraw/zinc/53/14/81/570531481.db2.gz SCTBZBKHFKTOHC-SFHVURJKSA-N 0 3 359.514 4.923 40 0 FJABHN CCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215554 570532027 /nfs/dbraw/zinc/53/20/27/570532027.db2.gz AFVWEOWOMMLZSH-SFHVURJKSA-N 0 3 359.514 4.923 40 0 FJABHN CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@H]2CCCCN2)cn1 ZINC000072215815 570532936 /nfs/dbraw/zinc/53/29/36/570532936.db2.gz KWXRDMOUDJXHQQ-GOSISDBHSA-N 0 3 353.466 4.969 40 0 FJABHN Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000044933364 570538998 /nfs/dbraw/zinc/53/89/98/570538998.db2.gz SDFFYIOXHPJVSZ-PXNSSMCTSA-N 0 3 370.924 4.738 40 0 FJABHN C[C@@H](NCC=C(c1ccsc1)c1ccsc1)[C@H](O)c1ccccc1 ZINC000004214464 570581280 /nfs/dbraw/zinc/58/12/80/570581280.db2.gz JQSHEDRVRBSFCZ-QRWLVFNGSA-N 0 3 355.528 4.953 40 0 in-man FJABHN O=C(c1cccc2ccccc21)N1CCC[C@@H](N2CCc3ccccc3C2)C1 ZINC000408609864 570582216 /nfs/dbraw/zinc/58/22/16/570582216.db2.gz PFEMAEAEHPLAJH-JOCHJYFZSA-N 0 3 370.496 4.503 40 0 FJABHN S=C(Nc1ccc(Cl)cc1Cl)N1CCN(C2CCCCC2)CC1 ZINC000008215417 570678712 /nfs/dbraw/zinc/67/87/12/570678712.db2.gz ZASIBLYYAMZOHZ-UHFFFAOYSA-N 0 3 372.365 4.641 40 0 FJABHN O=C1CCCN1c1ccc(CNC2(c3ccc(Cl)cc3)CCC2)cc1 ZINC000012361782 570738800 /nfs/dbraw/zinc/73/88/00/570738800.db2.gz VNLHHVKMDYLBDC-UHFFFAOYSA-N 0 3 354.881 4.636 40 0 FJABHN Cc1ccc(CCC(=O)NCc2ccccc2CN2CCCCC2)cc1C ZINC000224851524 571002800 /nfs/dbraw/zinc/00/28/00/571002800.db2.gz SJIUWXWEXPCKSB-UHFFFAOYSA-N 0 3 364.533 4.538 40 0 FJABHN CCc1ccc([C@@H](C)NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000225233057 571023028 /nfs/dbraw/zinc/02/30/28/571023028.db2.gz YMXJXCWKWIGHMY-LJQANCHMSA-N 0 3 364.533 4.647 40 0 FJABHN O=C(NCCC1=CCCCC1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220440 571028040 /nfs/dbraw/zinc/02/80/40/571028040.db2.gz OMQNMTDKAPLOMB-IBGZPJMESA-N 0 3 360.929 4.559 40 0 FJABHN O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038833866 571087327 /nfs/dbraw/zinc/08/73/27/571087327.db2.gz UWJVHQICGBVXMO-HNNXBMFYSA-N 0 3 363.288 4.844 40 0 FJABHN O=C(NCCC1=CCCCC1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038852387 571088111 /nfs/dbraw/zinc/08/81/11/571088111.db2.gz RJWKTRWFUQLKJA-LJQANCHMSA-N 0 3 360.929 4.559 40 0 FJABHN Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000044905815 571104365 /nfs/dbraw/zinc/10/43/65/571104365.db2.gz XZCUHMYUXOJJOH-UYAOXDASSA-N 0 3 368.496 4.532 40 0 FJABHN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000044933360 571104955 /nfs/dbraw/zinc/10/49/55/571104955.db2.gz SDFFYIOXHPJVSZ-FXAWDEMLSA-N 0 3 370.924 4.738 40 0 FJABHN CC[C@@H](NC(=O)C1CCN(Cc2ccc(C)cc2)CC1)c1ccc(C)cc1 ZINC000044935742 571105191 /nfs/dbraw/zinc/10/51/91/571105191.db2.gz UOEGNSMLRGINRK-HSZRJFAPSA-N 0 3 364.533 4.783 40 0 FJABHN CC[C@@H](C)NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000040413634 571140614 /nfs/dbraw/zinc/14/06/14/571140614.db2.gz VEFQGLMERPXJLP-LJQANCHMSA-N 0 3 364.533 4.670 40 0 FJABHN Fc1cccc(-c2cnc(-c3ccncc3)c(CNCc3ccncc3)c2)c1 ZINC000072343218 571179733 /nfs/dbraw/zinc/17/97/33/571179733.db2.gz HYVLLKRXLQLDDR-UHFFFAOYSA-N 0 3 370.431 4.635 40 0 FJABHN Cc1cccc(Cc2cccc([C@H]3CCCN(Cc4cccnc4)C3)n2)c1 ZINC000072348851 571180256 /nfs/dbraw/zinc/18/02/56/571180256.db2.gz BOJHKYAKSKMSBT-QFIPXVFZSA-N 0 3 357.501 4.755 40 0 FJABHN Fc1ccccc1Cc1cccc(C2CCN(Cc3ccncc3)CC2)n1 ZINC000072348814 571180270 /nfs/dbraw/zinc/18/02/70/571180270.db2.gz WVBVSTFTLJPCFA-UHFFFAOYSA-N 0 3 361.464 4.586 40 0 FJABHN Fc1ccccc1Cc1cccc([C@@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000072348815 571180294 /nfs/dbraw/zinc/18/02/94/571180294.db2.gz JUZXULJNRYNZIV-HXUWFJFHSA-N 0 3 361.464 4.586 40 0 FJABHN Fc1ccccc1Cc1cccc(C2CCN(Cc3ccccn3)CC2)n1 ZINC000072348941 571180572 /nfs/dbraw/zinc/18/05/72/571180572.db2.gz XULSEWSKMHLJJM-UHFFFAOYSA-N 0 3 361.464 4.586 40 0 FJABHN Fc1cccc(Cc2cccc([C@@H]3CCCN(Cc4cccnc4)C3)n2)c1 ZINC000072348859 571180584 /nfs/dbraw/zinc/18/05/84/571180584.db2.gz KFGVDMXOURLCTK-HXUWFJFHSA-N 0 3 361.464 4.586 40 0 FJABHN Cn1cc(CN2CCC[C@@H](c3cccc(-c4cccc(Cl)c4)n3)C2)cn1 ZINC000072349965 571181343 /nfs/dbraw/zinc/18/13/43/571181343.db2.gz KKEQGYHYBCVIFP-GOSISDBHSA-N 0 3 366.896 4.515 40 0 FJABHN Clc1cccc(-c2nccnc2[C@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000072358582 571183580 /nfs/dbraw/zinc/18/35/80/571183580.db2.gz JTBQRKKTDAUNPS-SFHVURJKSA-N 0 3 364.880 4.572 40 0 FJABHN O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000009062832 571302382 /nfs/dbraw/zinc/30/23/82/571302382.db2.gz NEUSWARCFOWKKR-UHFFFAOYSA-N 0 3 362.395 4.556 40 0 FJABHN Cc1ccccc1CN1CCC(c2cncc(Nc3ncccc3C)n2)CC1 ZINC000257233898 223030741 /nfs/dbraw/zinc/03/07/41/223030741.db2.gz GRFOAARAYYODMM-UHFFFAOYSA-N 0 3 373.504 4.612 40 0 FJABHN Cc1noc(C)c1-c1nccc([C@@H]2CCCN2Cc2ccc3cc[nH]c3c2)n1 ZINC000257244043 223034578 /nfs/dbraw/zinc/03/45/78/223034578.db2.gz IJPOTLFUYYOACM-FQEVSTJZSA-N 0 3 373.460 4.567 40 0 FJABHN Cc1ccccc1-c1noc([C@@H]2CCN(Cc3ccc4ccccc4n3)C2)n1 ZINC000257321954 223064683 /nfs/dbraw/zinc/06/46/83/223064683.db2.gz WEBHFOLIZHNEOU-GOSISDBHSA-N 0 3 370.456 4.583 40 0 FJABHN COc1ccccc1OCCN(C)Cc1c2cc(C)cnc2[nH]c1C(C)C ZINC000019124930 220237905 /nfs/dbraw/zinc/23/79/05/220237905.db2.gz JSHGRSKMLODIJJ-UHFFFAOYSA-N 0 3 367.493 4.514 40 0 FJABHN Cc1noc(-c2c[nH]nc2[C@@H]2CCCCN2Cc2ccccc2F)c1C ZINC000019558005 220271043 /nfs/dbraw/zinc/27/10/43/220271043.db2.gz NYAVCEZXUOUHNO-SFHVURJKSA-N 0 3 354.429 4.548 40 0 FJABHN CCOc1cccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 ZINC000030757157 208003923 /nfs/dbraw/zinc/00/39/23/208003923.db2.gz RESYEFQNAPPDOA-UHFFFAOYSA-N 0 3 352.478 4.570 40 0 FJABHN Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038849513 208209125 /nfs/dbraw/zinc/20/91/25/208209125.db2.gz XYKMIDWYWHQLQA-INIZCTEOSA-N 0 3 360.860 4.638 40 0 FJABHN Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1C ZINC000038835182 208205376 /nfs/dbraw/zinc/20/53/76/208205376.db2.gz WCXDSZABORURRW-GOSISDBHSA-N 0 3 356.897 4.808 40 0 FJABHN Cc1ncc(CN2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)s1 ZINC000019715798 220289991 /nfs/dbraw/zinc/28/99/91/220289991.db2.gz SSUFKWBBKPVXKR-INIZCTEOSA-N 0 3 354.523 4.762 40 0 FJABHN C[C@@H]1CC2=C(C[C@@H]1[C@@H]1NC(=N)Nc3nc4ccccc4n31)C(C)(C)CCC2 ZINC000053944159 221049460 /nfs/dbraw/zinc/04/94/60/221049460.db2.gz KCELIKSTAFGHFD-FRIZHTMISA-N 0 3 363.509 4.637 40 0 FJABHN Cc1nc(NCc2ccccc2)cc(N2CCc3cc(Cl)ccc3C2)n1 ZINC000328973130 132372018 /nfs/dbraw/zinc/37/20/18/132372018.db2.gz DYZNEYLRKUUODR-UHFFFAOYSA-N 0 3 364.880 4.613 40 0 FJABHN CC(C)C(=O)N1CC[C@@]2(CCCN2Cc2ccc(-c3ccccc3)cc2)C1 ZINC000096071047 222012789 /nfs/dbraw/zinc/01/27/89/222012789.db2.gz WPHMVSZTCBYAIT-DEOSSOPVSA-N 0 3 362.517 4.577 40 0 FJABHN C[C@@H](NCc1ccc(-c2ccc(F)c(Cl)c2)o1)[C@@H](O)c1ccccc1 ZINC000022107491 263384734 /nfs/dbraw/zinc/38/47/34/263384734.db2.gz OKUWGZIGRPNPRP-ZUOKHONESA-N 0 3 359.828 4.951 40 0 FJABHN C[C@H](NCc1ccc(-c2ccc(F)c(Cl)c2)o1)[C@@H](O)c1ccccc1 ZINC000022107496 263384743 /nfs/dbraw/zinc/38/47/43/263384743.db2.gz OKUWGZIGRPNPRP-RNODOKPDSA-N 0 3 359.828 4.951 40 0 FJABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1 ZINC000039748665 263399511 /nfs/dbraw/zinc/39/95/11/263399511.db2.gz YDKHFYZTILIRBB-UHFFFAOYSA-N 0 3 360.860 4.638 40 0 FJABHN CC[C@H]1CN2CC[C@H]1C[C@@H]2CN(Cc1cccs1)Cc1cccs1 ZINC000020462723 523322451 /nfs/dbraw/zinc/32/24/51/523322451.db2.gz MYOIPDGUFFUSBD-OKZBNKHCSA-N 0 3 360.592 4.932 40 0 biogenic,in-vitro FJABHN Cc1cccc(CCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 ZINC000020461128 524350794 /nfs/dbraw/zinc/35/07/94/524350794.db2.gz WGZLFZUBFWUXCN-UHFFFAOYSA-N 0 3 364.533 4.590 40 0 FJABHN CCCNCc1cc2c(C(C)(C)C)nn(-c3ccccc3)c2nc1Cl ZINC000257315337 528516835 /nfs/dbraw/zinc/51/68/35/528516835.db2.gz VAWGFEUAJXSZJX-UHFFFAOYSA-N 0 3 356.901 4.871 40 0 FJABHN O=c1c(C2CCCCC2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2cccs2)C1 ZINC000008296305 560208082 /nfs/dbraw/zinc/20/80/82/560208082.db2.gz KUOMUUIITQYKJB-FUHWJXTLSA-N 0 3 368.546 4.577 40 0 biogenic,in-vitro FJABHN O=C(NCC1CCCCC1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000223416609 568652763 /nfs/dbraw/zinc/65/27/63/568652763.db2.gz OMMJCXREOXIBCY-UHFFFAOYSA-N 0 3 362.517 4.555 40 0 FJABHN CC1CCN(Cc2ccc(C(=O)NC(C)(C)Cc3ccccc3)cc2)CC1 ZINC000223584403 568672892 /nfs/dbraw/zinc/67/28/92/568672892.db2.gz CBOSXDVKCXIUEI-UHFFFAOYSA-N 0 3 364.533 4.670 40 0 FJABHN CC[C@@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(C)cc1 ZINC000044935707 570539092 /nfs/dbraw/zinc/53/90/92/570539092.db2.gz QPKWTDWYEPBHIU-RBBKRZOGSA-N 0 3 368.496 4.614 40 0 FJABHN C[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(F)cc1 ZINC000044933997 570539247 /nfs/dbraw/zinc/53/92/47/570539247.db2.gz VMPBYCBCKDQCOV-YJBOKZPZSA-N 0 3 374.887 4.569 40 0 FJABHN O[C@@H](c1ccccc1)C1(c2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000006575022 570649636 /nfs/dbraw/zinc/64/96/36/570649636.db2.gz MFMTVBIVRHGAJC-DEOSSOPVSA-N 0 3 357.497 4.954 40 0 FJABHN O=C(Nc1cccc(F)c1)NC1C[C@H]2CCC[C@@H](C1)N2Cc1cccs1 ZINC000004883258 570672237 /nfs/dbraw/zinc/67/22/37/570672237.db2.gz VPDDYYRSEVJSKU-AYHJJNSGSA-N 0 3 373.497 4.594 40 0 FJABHN COc1ccc(CN2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1 ZINC000005625622 570679838 /nfs/dbraw/zinc/67/98/38/570679838.db2.gz IJRSEIDLNQDTRP-UHFFFAOYSA-N 0 3 355.869 4.605 40 0 FJABHN CC(C)Oc1cccc(NC(=O)c2ccc(CN3CCCCC3)cc2)c1 ZINC000010332275 570832588 /nfs/dbraw/zinc/83/25/88/570832588.db2.gz QPYZMLGYJZWRQI-UHFFFAOYSA-N 0 3 352.478 4.712 40 0 FJABHN Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1C ZINC000044856340 570867936 /nfs/dbraw/zinc/86/79/36/570867936.db2.gz VGIYDNIGQNEADS-RXVVDRJESA-N 0 3 368.496 4.532 40 0 FJABHN C[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccc(F)cc1 ZINC000044934020 570867952 /nfs/dbraw/zinc/86/79/52/570867952.db2.gz HCANGIHHYOOZER-YJBOKZPZSA-N 0 3 374.887 4.569 40 0 FJABHN C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccc(F)cc1 ZINC000044934023 570867969 /nfs/dbraw/zinc/86/79/69/570867969.db2.gz HCANGIHHYOOZER-QAPCUYQASA-N 0 3 374.887 4.569 40 0 FJABHN Cc1ccsc1-c1nnc(C2CCN(Cc3cccc(C)c3)CC2)o1 ZINC000019234952 570883103 /nfs/dbraw/zinc/88/31/03/570883103.db2.gz CWMZHZIFRJCPSV-UHFFFAOYSA-N 0 3 353.491 4.795 40 0 FJABHN CC(C)(C)c1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000224805808 571001329 /nfs/dbraw/zinc/00/13/29/571001329.db2.gz COHSKJMOOTZHRX-UHFFFAOYSA-N 0 3 364.533 4.900 40 0 FJABHN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000030945381 571053142 /nfs/dbraw/zinc/05/31/42/571053142.db2.gz SSAYPDYFGVYSCS-OAHLLOKOSA-N 0 3 363.288 4.844 40 0 FJABHN CN1CCc2ccccc2[C@H]1Cc1cc(OCc2ccccc2)ccc1N ZINC000031938933 571056570 /nfs/dbraw/zinc/05/65/70/571056570.db2.gz GWIOQTCSMPBYMC-XMMPIXPASA-N 0 3 358.485 4.620 40 0 FJABHN Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000038833522 571087061 /nfs/dbraw/zinc/08/70/61/571087061.db2.gz AYMHZBSIZJSNHI-GOSISDBHSA-N 0 3 356.897 4.808 40 0 FJABHN COc1cccc(-c2cccc([C@@H]3CCCN(Cc4cccnc4)C3)n2)c1 ZINC000072348842 571180160 /nfs/dbraw/zinc/18/01/60/571180160.db2.gz GXDYPEKTNDEOIE-HXUWFJFHSA-N 0 3 359.473 4.532 40 0 FJABHN COc1cccc(-c2cccc([C@@H]3CCCN(Cc4ccncc4)C3)n2)c1 ZINC000072348806 571180245 /nfs/dbraw/zinc/18/02/45/571180245.db2.gz PKQRDXMJEWTRQN-HXUWFJFHSA-N 0 3 359.473 4.532 40 0 FJABHN Fc1ccccc1Cc1cccc(C2CCN(Cc3cccnc3)CC2)n1 ZINC000072348852 571180272 /nfs/dbraw/zinc/18/02/72/571180272.db2.gz YBDDXCALQATZOA-UHFFFAOYSA-N 0 3 361.464 4.586 40 0 FJABHN Fc1ccc(Cc2cccc([C@H]3CCCN(Cc4ccncc4)C3)n2)cc1 ZINC000072348819 571180352 /nfs/dbraw/zinc/18/03/52/571180352.db2.gz MBVYXOCYROPMRH-FQEVSTJZSA-N 0 3 361.464 4.586 40 0 FJABHN Fc1cccc(Cc2cccc(C3CCN(Cc4ccccn4)CC3)n2)c1 ZINC000072348947 571180678 /nfs/dbraw/zinc/18/06/78/571180678.db2.gz OMKJFUXGICPDET-UHFFFAOYSA-N 0 3 361.464 4.586 40 0 FJABHN Clc1cccc(-c2cncc([C@H]3CCCN(Cc4cccnc4)C3)n2)c1 ZINC000072359406 571184115 /nfs/dbraw/zinc/18/41/15/571184115.db2.gz OTPHLUHBQKVFDB-SFHVURJKSA-N 0 3 364.880 4.572 40 0 FJABHN Cc1ccccc1-c1noc([C@@H]2CCN(Cc3cccc(Cl)c3)C2)n1 ZINC000072369941 571185116 /nfs/dbraw/zinc/18/51/16/571185116.db2.gz OTGWGOKLQZVOLD-MRXNPFEDSA-N 0 3 353.853 4.688 40 0 FJABHN CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC2CCCCC2)CC1 ZINC000257288611 571205958 /nfs/dbraw/zinc/20/59/58/571205958.db2.gz PUXUBPSPQPJCSC-TXTKFYIRSA-N 0 3 371.569 4.577 40 0 FJABHN Cc1c(Cl)cccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009063577 571302692 /nfs/dbraw/zinc/30/26/92/571302692.db2.gz UTOIVPUSFPKDCG-UHFFFAOYSA-N 0 3 360.860 4.638 40 0 FJABHN Fc1ccc(OCCc2cc([C@@H]3CCCN3Cc3ccccc3)n[nH]2)cc1 ZINC000019743199 571327208 /nfs/dbraw/zinc/32/72/08/571327208.db2.gz FWHQUNQCWJUQRQ-QFIPXVFZSA-N 0 3 365.452 4.507 40 0 FJABHN CC(C)N1CCC(N(C(=O)Cc2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000000537935 219305042 /nfs/dbraw/zinc/30/50/42/219305042.db2.gz XHOJAWVAWFHGHL-UHFFFAOYSA-N 0 3 370.924 4.789 40 0 world FJABHN Cc1cccc(CN2CCC[C@@H](c3cncc(Nc4ncccc4C)n3)C2)c1 ZINC000257228476 223028947 /nfs/dbraw/zinc/02/89/47/223028947.db2.gz FUAPRVVZKLARCY-HXUWFJFHSA-N 0 3 373.504 4.612 40 0 FJABHN O=C(NCCN1CCCCCC1)c1ccccc1SCc1ccccc1 ZINC000013679933 220084013 /nfs/dbraw/zinc/08/40/13/220084013.db2.gz FBCZAPIWSMBPHE-UHFFFAOYSA-N 0 3 368.546 4.585 40 0 FJABHN Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)N3Cc2cccs2)cc1 ZINC000004883186 207058797 /nfs/dbraw/zinc/05/87/97/207058797.db2.gz XXVGWFVZUKVJCY-YQQQUEKLSA-N 0 3 369.534 4.764 40 0 FJABHN CC(C)[C@@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1cccs1 ZINC000012200532 207347423 /nfs/dbraw/zinc/34/74/23/207347423.db2.gz QMQWRPPDAYMXEB-HXUWFJFHSA-N 0 3 374.525 4.613 40 0 FJABHN Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038849512 208207481 /nfs/dbraw/zinc/20/74/81/208207481.db2.gz XYKMIDWYWHQLQA-MRXNPFEDSA-N 0 3 360.860 4.638 40 0 FJABHN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000038834685 208204922 /nfs/dbraw/zinc/20/49/22/208204922.db2.gz GSDRKUAKNAIHIF-INIZCTEOSA-N 0 3 362.395 4.556 40 0 FJABHN Cc1ccc(CN(CCCn2ccnc2)Cc2ccc(F)c(F)c2)s1 ZINC000043277874 208305968 /nfs/dbraw/zinc/30/59/68/208305968.db2.gz FUUNLLKLLUTHDS-UHFFFAOYSA-N 0 3 361.461 4.624 40 0 FJABHN Cc1ccc(CN2CCC(C(=O)N[C@@H](C)c3ccc(C)c(C)c3)CC2)cc1 ZINC000044856351 208320171 /nfs/dbraw/zinc/32/01/71/208320171.db2.gz MAIRXFWYQHPQOP-FQEVSTJZSA-N 0 3 364.533 4.701 40 0 FJABHN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000044933358 208321382 /nfs/dbraw/zinc/32/13/82/208321382.db2.gz SDFFYIOXHPJVSZ-YLJYHZDGSA-N 0 3 370.924 4.738 40 0 FJABHN COc1cccc(-c2cncc(C3CCN(Cc4ccccc4)CC3)n2)c1 ZINC000072359265 208838626 /nfs/dbraw/zinc/83/86/26/208838626.db2.gz IYKYTURPMAKUOS-UHFFFAOYSA-N 0 3 359.473 4.532 40 0 FJABHN COc1cccc(Nc2cc(C)nc([C@H]3CCN(C(=O)CC(C)C)C3)c2)c1 ZINC000257215475 533619958 /nfs/dbraw/zinc/61/99/58/533619958.db2.gz CQGIWNDCOMUTIZ-KRWDZBQOSA-N 0 3 367.493 4.504 40 0 FJABHN Cc1nc(NCc2ccccc2)cc(N2Cc3ccccc3CC2(C)C)n1 ZINC000328966930 132371947 /nfs/dbraw/zinc/37/19/47/132371947.db2.gz COZNPHBCYNYANX-UHFFFAOYSA-N 0 3 358.489 4.738 40 0 FJABHN CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CCC2CCCC2)CC1 ZINC000100750202 222252120 /nfs/dbraw/zinc/25/21/20/222252120.db2.gz LARSFAQXRPZVNA-ZRCGQRJVSA-N 0 3 371.569 4.577 40 0 FJABHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc(Br)cc1 ZINC000017076401 263372258 /nfs/dbraw/zinc/37/22/58/263372258.db2.gz LSEQORNDQWEMLS-UHFFFAOYSA-N 0 3 373.294 4.687 40 0 FJABHN C[C@H](NCc1ccc(-c2ccc(F)c(Cl)c2)o1)[C@H](O)c1ccccc1 ZINC000022107506 263384916 /nfs/dbraw/zinc/38/49/16/263384916.db2.gz OKUWGZIGRPNPRP-RBZFPXEDSA-N 0 3 359.828 4.951 40 0 FJABHN Cc1cccc(CN2CCC(C(=O)Nc3cccc(OC(C)C)c3)CC2)c1 ZINC000039753550 263399808 /nfs/dbraw/zinc/39/98/08/263399808.db2.gz QQLPEPPRZXBKOH-UHFFFAOYSA-N 0 3 366.505 4.633 40 0 FJABHN CC(C)N1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215342 570530829 /nfs/dbraw/zinc/53/08/29/570530829.db2.gz HHUANXNQLOALAU-GOSISDBHSA-N 0 3 359.514 4.921 40 0 FJABHN CCCCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215328 570530964 /nfs/dbraw/zinc/53/09/64/570530964.db2.gz ZJEUZEFGBGBXOD-SFHVURJKSA-N 0 3 359.514 4.923 40 0 FJABHN CCCCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215327 570531104 /nfs/dbraw/zinc/53/11/04/570531104.db2.gz ZJEUZEFGBGBXOD-GOSISDBHSA-N 0 3 359.514 4.923 40 0 FJABHN CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@H]1CCCCN1 ZINC000072215875 570533503 /nfs/dbraw/zinc/53/35/03/570533503.db2.gz GGYFIXHRPVCFLA-GOSISDBHSA-N 0 3 353.466 4.969 40 0 FJABHN Cc1ccc(C)c([C@@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000044905819 570538688 /nfs/dbraw/zinc/53/86/88/570538688.db2.gz XZCUHMYUXOJJOH-QUCCMNQESA-N 0 3 368.496 4.532 40 0 FJABHN C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(F)cc1 ZINC000044934000 570539266 /nfs/dbraw/zinc/53/92/66/570539266.db2.gz VMPBYCBCKDQCOV-QAPCUYQASA-N 0 3 374.887 4.569 40 0 FJABHN CN(C)CCNc1nc(Nc2ccc(Cl)cc2)cc(-c2ccccc2)n1 ZINC000244457388 570610457 /nfs/dbraw/zinc/61/04/57/570610457.db2.gz ZEXRFXJCFMHBKE-UHFFFAOYSA-N 0 3 367.884 4.514 40 0 FJABHN CN(C)C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000006437117 570647022 /nfs/dbraw/zinc/64/70/22/570647022.db2.gz OAKNQOGRECTGTA-QFIPXVFZSA-N 0 3 359.469 4.665 40 0 FJABHN Cc1nc2cc(F)ccc2n1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000004858316 570671500 /nfs/dbraw/zinc/67/15/00/570671500.db2.gz FDCQXIYGBZFYPB-UHFFFAOYSA-N 0 3 357.860 4.974 40 0 FJABHN O=C(Nc1ccccc1)[C@@H](NCCc1ccccc1)c1ccc(Cl)cc1 ZINC000408734071 570684197 /nfs/dbraw/zinc/68/41/97/570684197.db2.gz HZACNJDFTPQVEW-NRFANRHFSA-N 0 3 364.876 4.852 40 0 FJABHN COc1ccc(CN2CCC(c3cc4ncccc4cn3)CC2)c(C)c1C ZINC000012222735 570729373 /nfs/dbraw/zinc/72/93/73/570729373.db2.gz VJQRCOMFHLBEKL-UHFFFAOYSA-N 0 3 361.489 4.635 40 0 FJABHN COc1ccc2c(c1)c(C(=O)CN1C[C@@]3(C)C[C@@H]1CC(C)(C)C3)c(C)n2C ZINC000012658469 570815063 /nfs/dbraw/zinc/81/50/63/570815063.db2.gz NPEAVBVVTBDHLM-HJPURHCSSA-N 0 3 368.521 4.579 40 0 FJABHN O=C(NCc1ccccc1CN1CCCCC1)Nc1ccc(Cl)cc1 ZINC000018177317 570876210 /nfs/dbraw/zinc/87/62/10/570876210.db2.gz YRVCNIDKNRDSEV-UHFFFAOYSA-N 0 3 357.885 4.648 40 0 FJABHN Cc1cc(-c2snnc2[C@@H]2CCCN(Cc3cc(C)sc3C)C2)on1 ZINC000019120740 570880436 /nfs/dbraw/zinc/88/04/36/570880436.db2.gz KLEZSDSQLDNYOJ-CQSZACIVSA-N 0 3 374.535 4.559 40 0 FJABHN CC(C)c1ccc(CN2CCC(c3nnc(-c4cccnc4)o3)CC2)cc1 ZINC000019453198 570889156 /nfs/dbraw/zinc/88/91/56/570889156.db2.gz MKKFXPBOKYSJEW-UHFFFAOYSA-N 0 3 362.477 4.635 40 0 FJABHN COc1cc2c(cc1OC)[C@H](C1CCCCC1)N[C@H](c1cccnc1)C2 ZINC000019550755 570892542 /nfs/dbraw/zinc/89/25/42/570892542.db2.gz JGTDGYMUSXCGAR-UGKGYDQZSA-N 0 3 352.478 4.607 40 0 FJABHN COc1cccc(-c2n[nH]cc2CNC2(c3ccccc3F)CCCC2)c1 ZINC000019566509 570894359 /nfs/dbraw/zinc/89/43/59/570894359.db2.gz WWCWLJDKYVDMJV-UHFFFAOYSA-N 0 3 365.452 4.784 40 0 FJABHN O=C(Nc1ccc(Cl)cc1Cl)C1CCN(Cc2ccccc2)CC1 ZINC000039763855 571023380 /nfs/dbraw/zinc/02/33/80/571023380.db2.gz DVCQMOPAJVJILJ-UHFFFAOYSA-N 0 3 363.288 4.844 40 0 FJABHN CCc1ccc(CC)c(CNC(=O)c2ccc(CN3CCCCC3)cc2)c1 ZINC000225272359 571025269 /nfs/dbraw/zinc/02/52/69/571025269.db2.gz JQDNSTFGUIGCDK-UHFFFAOYSA-N 0 3 364.533 4.727 40 0 FJABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc4ccccc4c3)CC2)cc1 ZINC000039758199 571026278 /nfs/dbraw/zinc/02/62/78/571026278.db2.gz DAYVGLDUNOYFDR-UHFFFAOYSA-N 0 3 358.485 4.999 40 0 FJABHN O=C([C@@H]1CCCN(Cc2ccccc2Cl)C1)N1CCCc2ccccc21 ZINC000030946735 571053185 /nfs/dbraw/zinc/05/31/85/571053185.db2.gz DKEPWIHUFPICPB-LJQANCHMSA-N 0 3 368.908 4.531 40 0 FJABHN O=C([C@H]1CCCN(Cc2ccccc2Cl)C1)N1CCCc2ccccc21 ZINC000030946737 571053497 /nfs/dbraw/zinc/05/34/97/571053497.db2.gz DKEPWIHUFPICPB-IBGZPJMESA-N 0 3 368.908 4.531 40 0 FJABHN CCc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000225804346 571067610 /nfs/dbraw/zinc/06/76/10/571067610.db2.gz ZSYMANZCZAIEQB-LJQANCHMSA-N 0 3 364.533 4.647 40 0 FJABHN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1C ZINC000038833585 571087114 /nfs/dbraw/zinc/08/71/14/571087114.db2.gz VYSOUZUDKWQTDK-GOSISDBHSA-N 0 3 356.897 4.808 40 0 FJABHN CCOc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038834279 571087194 /nfs/dbraw/zinc/08/71/94/571087194.db2.gz UKWHYFIOAFQIDD-KRWDZBQOSA-N 0 3 372.896 4.589 40 0 FJABHN Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1C ZINC000038833590 571087318 /nfs/dbraw/zinc/08/73/18/571087318.db2.gz ACEWWXCHRVKIBM-SFHVURJKSA-N 0 3 356.897 4.808 40 0 FJABHN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1Cl ZINC000038849678 571087706 /nfs/dbraw/zinc/08/77/06/571087706.db2.gz VLQOQLBGIJBJLD-MRXNPFEDSA-N 0 3 360.860 4.638 40 0 FJABHN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038849567 571087720 /nfs/dbraw/zinc/08/77/20/571087720.db2.gz JMOJJXHJVIMOMU-MRXNPFEDSA-N 0 3 360.860 4.638 40 0 FJABHN Cc1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1C ZINC000038835183 571087866 /nfs/dbraw/zinc/08/78/66/571087866.db2.gz WCXDSZABORURRW-SFHVURJKSA-N 0 3 356.897 4.808 40 0 FJABHN CC1CCN(Cc2ccc(C(=O)NCCSC3CCCCC3)cc2)CC1 ZINC000038852884 571088353 /nfs/dbraw/zinc/08/83/53/571088353.db2.gz ZRKRLKZCNLXWSL-UHFFFAOYSA-N 0 3 374.594 4.714 40 0 FJABHN Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)C(C)C)C2)n1 ZINC000257271622 571156721 /nfs/dbraw/zinc/15/67/21/571156721.db2.gz MZBXMGCRVBFKNN-MRXNPFEDSA-N 0 3 355.457 4.635 40 0 FJABHN Fc1ccc(Cc2cccc([C@H]3CCCN(Cc4ccccn4)C3)n2)cc1 ZINC000072348945 571180501 /nfs/dbraw/zinc/18/05/01/571180501.db2.gz XXQZYXVEXHIYBX-IBGZPJMESA-N 0 3 361.464 4.586 40 0 FJABHN Cc1ccccc1Cc1cccc(C2CCN(Cc3ccccn3)CC2)n1 ZINC000072348938 571180587 /nfs/dbraw/zinc/18/05/87/571180587.db2.gz ZAOCERJNRAZZLI-UHFFFAOYSA-N 0 3 357.501 4.755 40 0 FJABHN COc1ccc(-c2cccc([C@@H]3CCCN(Cc4ccccn4)C3)n2)cc1 ZINC000072348931 571180533 /nfs/dbraw/zinc/18/05/33/571180533.db2.gz KKVSWUGRTVSHIQ-LJQANCHMSA-N 0 3 359.473 4.532 40 0 FJABHN Fc1cccc(Cc2cccc([C@H]3CCCN(Cc4ccccn4)C3)n2)c1 ZINC000072348948 571180600 /nfs/dbraw/zinc/18/06/00/571180600.db2.gz HWQIYSNDAWXHKB-IBGZPJMESA-N 0 3 361.464 4.586 40 0 FJABHN Clc1cccc(-c2nccnc2[C@H]2CCCN(Cc3ccccn3)C2)c1 ZINC000072358619 571183482 /nfs/dbraw/zinc/18/34/82/571183482.db2.gz LSJREMGATLVNRW-KRWDZBQOSA-N 0 3 364.880 4.572 40 0 FJABHN Clc1cccc(-c2nccnc2[C@H]2CCCN(Cc3ccncc3)C2)c1 ZINC000072358566 571183498 /nfs/dbraw/zinc/18/34/98/571183498.db2.gz UNZIMRZJURTYMV-SFHVURJKSA-N 0 3 364.880 4.572 40 0 FJABHN Clc1cccc(-c2nccnc2[C@@H]2CCCN(Cc3ccncc3)C2)c1 ZINC000072358565 571183611 /nfs/dbraw/zinc/18/36/11/571183611.db2.gz UNZIMRZJURTYMV-GOSISDBHSA-N 0 3 364.880 4.572 40 0 FJABHN Cc1cc(C)nc(Nc2cccc([C@H]3CCCN3Cc3ccccc3C)n2)n1 ZINC000072375265 571185641 /nfs/dbraw/zinc/18/56/41/571185641.db2.gz OILZHIHCIHHKQN-OAQYLSRUSA-N 0 3 373.504 4.878 40 0 FJABHN CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CCC2CCCC2)CC1 ZINC000257259930 571204614 /nfs/dbraw/zinc/20/46/14/571204614.db2.gz LARSFAQXRPZVNA-TXTKFYIRSA-N 0 3 371.569 4.577 40 0 FJABHN CCCOc1c(CNC2CCCCC2)c(C)nn1-c1ccc(F)cc1F ZINC000536554686 571207078 /nfs/dbraw/zinc/20/70/78/571207078.db2.gz ZTIVLSHSOKCDJZ-UHFFFAOYSA-N 0 3 363.452 4.670 40 0 FJABHN COc1ccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1Cl ZINC000009063124 571302482 /nfs/dbraw/zinc/30/24/82/571302482.db2.gz JOYLGJCLSMGAHI-UHFFFAOYSA-N 0 3 372.896 4.508 40 0 FJABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(OC(C)C)cc3)CC2)cc1 ZINC000009063167 571302502 /nfs/dbraw/zinc/30/25/02/571302502.db2.gz IKNPMYOWXPGADB-UHFFFAOYSA-N 0 3 366.505 4.633 40 0 FJABHN Fc1ccc(OCCc2cc([C@H]3CCCN3Cc3ccccc3)n[nH]2)cc1 ZINC000019743201 571327265 /nfs/dbraw/zinc/32/72/65/571327265.db2.gz FWHQUNQCWJUQRQ-JOCHJYFZSA-N 0 3 365.452 4.507 40 0 FJABHN Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCN(C(=O)CC(C)C)C2)n1 ZINC000257337660 223070984 /nfs/dbraw/zinc/07/09/84/223070984.db2.gz YTVGKSDJXYLQRS-INIZCTEOSA-N 0 3 355.457 4.635 40 0 FJABHN Cn1cnc2c1cc(C1CCN(Cc3ccoc3)CC1)nc2-c1ccccc1 ZINC000096099924 209111981 /nfs/dbraw/zinc/11/19/81/209111981.db2.gz ANUDVQSKEJQGFU-UHFFFAOYSA-N 0 3 372.472 4.608 40 0 FJABHN CC(C)C(=O)N1CC[C@]2(CCCN2Cc2ccc(-c3ccccc3)cc2)C1 ZINC000096071046 209107461 /nfs/dbraw/zinc/10/74/61/209107461.db2.gz WPHMVSZTCBYAIT-XMMPIXPASA-N 0 3 362.517 4.577 40 0 FJABHN O=C(Nc1cccc2ccccc21)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038834070 208206149 /nfs/dbraw/zinc/20/61/49/208206149.db2.gz QLJFMYSSRIUWDN-IBGZPJMESA-N 0 3 362.448 4.830 40 0 FJABHN CC1CCN(Cc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)CC1 ZINC000038848623 208208311 /nfs/dbraw/zinc/20/83/11/208208311.db2.gz WJIWHBZHWFRWKE-UHFFFAOYSA-N 0 3 356.897 4.502 40 0 FJABHN COc1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1Cl ZINC000020036987 220310627 /nfs/dbraw/zinc/31/06/27/220310627.db2.gz ARFCEOQGHFCDPK-UHFFFAOYSA-N 0 3 372.896 4.833 40 0 FJABHN Cc1ccc(CN2CCC(c3nc4ccc(-c5ccccc5)cn4n3)CC2)o1 ZINC000096038173 209098384 /nfs/dbraw/zinc/09/83/84/209098384.db2.gz NZQPXSZJHPPUBT-UHFFFAOYSA-N 0 3 372.472 4.677 40 0 FJABHN O=C(Nc1cccc(Br)c1)c1ccc(CN2CCCCC2)cc1 ZINC000010324187 263365053 /nfs/dbraw/zinc/36/50/53/263365053.db2.gz VSEOPIWIDGSZMM-UHFFFAOYSA-N 0 3 373.294 4.687 40 0 FJABHN COc1ccc(-c2ccc(CN[C@H](C)[C@H](O)c3ccccc3)o2)cc1Cl ZINC000022107390 263385390 /nfs/dbraw/zinc/38/53/90/263385390.db2.gz ITAYADLKRQMDPZ-SZNDQCEHSA-N 0 3 371.864 4.820 40 0 FJABHN CCc1cccc(C)c1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039743360 263399355 /nfs/dbraw/zinc/39/93/55/263399355.db2.gz ARBFMJOSAVUZCL-UHFFFAOYSA-N 0 3 354.469 4.547 40 0 FJABHN CC1CCN(Cc2ccc(C(=O)N(C)Cc3ccc(Cl)cc3)cc2)CC1 ZINC000020486660 521023006 /nfs/dbraw/zinc/02/30/06/521023006.db2.gz YIXFEJGBGVTKAC-UHFFFAOYSA-N 0 3 370.924 4.844 40 0 FJABHN CC[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(C)cc1 ZINC000020044880 522532271 /nfs/dbraw/zinc/53/22/71/522532271.db2.gz XVRCPAGGYBLPKO-QFIPXVFZSA-N 0 3 350.506 4.862 40 0 FJABHN Cc1cccc(CN2CCC(C(=O)NCc3ccc4ccccc4c3)CC2)c1 ZINC000222799659 568564474 /nfs/dbraw/zinc/56/44/74/568564474.db2.gz XBSTVTNSZKECHC-UHFFFAOYSA-N 0 3 372.512 4.677 40 0 FJABHN Cc1cccc(CN2CCC(C(=O)NCc3cccc4ccccc43)CC2)c1 ZINC000222875889 568574900 /nfs/dbraw/zinc/57/49/00/568574900.db2.gz HRZWQWVZOWFTBD-UHFFFAOYSA-N 0 3 372.512 4.677 40 0 FJABHN CCOc1ccc2ccccc2c1[C@@H](Cc1ccc(Cl)cc1)NCCO ZINC000001666340 570503978 /nfs/dbraw/zinc/50/39/78/570503978.db2.gz PCQNNQHKFJDEHM-HXUWFJFHSA-N 0 3 369.892 4.758 40 0 FJABHN CCCCN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215388 570531382 /nfs/dbraw/zinc/53/13/82/570531382.db2.gz CFLZMGSGPJUNOT-SFHVURJKSA-N 0 3 359.514 4.923 40 0 FJABHN CCCCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215387 570531682 /nfs/dbraw/zinc/53/16/82/570531682.db2.gz CFLZMGSGPJUNOT-GOSISDBHSA-N 0 3 359.514 4.923 40 0 FJABHN CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2)cn1)C1CCCCC1 ZINC000072215695 570532993 /nfs/dbraw/zinc/53/29/93/570532993.db2.gz ZMWOCFFAENDUAQ-GOSISDBHSA-N 0 3 359.514 4.970 40 0 FJABHN O=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccco1 ZINC000004883344 570612350 /nfs/dbraw/zinc/61/23/50/570612350.db2.gz DNZRJKXKGAXZLF-AYHJJNSGSA-N 0 3 373.884 4.640 40 0 FJABHN COc1ccc(CN2CCC[C@@H](c3cc4ccccc4cn3)C2)cc1OC ZINC000012222635 570729621 /nfs/dbraw/zinc/72/96/21/570729621.db2.gz SQZKYCVQJIPWMI-HXUWFJFHSA-N 0 3 362.473 4.632 40 0 FJABHN CC(C)(C)NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000113958982 570826607 /nfs/dbraw/zinc/82/66/07/570826607.db2.gz ZLJQEQVMSUAINO-UHFFFAOYSA-N 0 3 364.533 4.670 40 0 FJABHN Cc1ccc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000039761237 571022927 /nfs/dbraw/zinc/02/29/27/571022927.db2.gz XVGBJBAAZNNAKZ-SFHVURJKSA-N 0 3 368.496 4.532 40 0 FJABHN CCc1cccc(CC)c1NC(=O)C1CCN(Cc2cccc(C)c2)CC1 ZINC000039766905 571023658 /nfs/dbraw/zinc/02/36/58/571023658.db2.gz IKSQHNDSDPKEPR-UHFFFAOYSA-N 0 3 364.533 4.971 40 0 FJABHN CSc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030938033 571052568 /nfs/dbraw/zinc/05/25/68/571052568.db2.gz OJLFISNVSAMYFH-MRXNPFEDSA-N 0 3 374.937 4.913 40 0 FJABHN O=C(NC1CCCCCCC1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000030944018 571053243 /nfs/dbraw/zinc/05/32/43/571053243.db2.gz AFOYZJURLHQKKB-GOSISDBHSA-N 0 3 362.945 4.781 40 0 FJABHN Fc1ccccc1CN(CCCn1ccnc1)Cc1cccc2cccnc21 ZINC000043277832 571100274 /nfs/dbraw/zinc/10/02/74/571100274.db2.gz WTTJGPMJIMQWDA-UHFFFAOYSA-N 0 3 374.463 4.663 40 0 FJABHN Cc1ccc(CN2CCC(C(=O)N[C@H](C)c3ccc(C)cc3C)CC2)cc1 ZINC000044934895 571105205 /nfs/dbraw/zinc/10/52/05/571105205.db2.gz HPSJVQSTSJFBFV-HXUWFJFHSA-N 0 3 364.533 4.701 40 0 FJABHN C[C@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc(F)cc1 ZINC000044934271 571105322 /nfs/dbraw/zinc/10/53/22/571105322.db2.gz XRDDUDMRCSNSIE-KRWDZBQOSA-N 0 3 354.469 4.549 40 0 FJABHN CN(C(=O)c1ccc(CN2CCc3ccccc3C2)cc1)C1CCCCC1 ZINC000044940396 571105348 /nfs/dbraw/zinc/10/53/48/571105348.db2.gz XYGKHGMLMKSJMF-UHFFFAOYSA-N 0 3 362.517 4.650 40 0 FJABHN CC(C)C[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000044936809 571105378 /nfs/dbraw/zinc/10/53/78/571105378.db2.gz KBUVOIIFULJJIK-QHCPKHFHSA-N 0 3 364.533 4.802 40 0 FJABHN Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCN(C(=O)C3CCCC3)C2)n1 ZINC000257243628 571153631 /nfs/dbraw/zinc/15/36/31/571153631.db2.gz IHVRJUKRJLKTDQ-QGZVFWFLSA-N 0 3 367.468 4.779 40 0 FJABHN COc1cccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)C(C)C)C3)c2)c1 ZINC000257291193 571158695 /nfs/dbraw/zinc/15/86/95/571158695.db2.gz QGBDNUOOOPABMT-QGZVFWFLSA-N 0 3 367.493 4.504 40 0 FJABHN Fc1ccc(Cc2cccc(C3CCN(Cc4cccnc4)CC3)n2)cc1 ZINC000072348855 571180495 /nfs/dbraw/zinc/18/04/95/571180495.db2.gz VWXPCEIPDOYSJH-UHFFFAOYSA-N 0 3 361.464 4.586 40 0 FJABHN Cc1cccc(Cc2cccc([C@H]3CCCN(Cc4ccccn4)C3)n2)c1 ZINC000072348940 571180671 /nfs/dbraw/zinc/18/06/71/571180671.db2.gz RVGUDWXUKDQVCZ-NRFANRHFSA-N 0 3 357.501 4.755 40 0 FJABHN CCc1ncc(CN2CCC[C@@H](c3cccc(-c4cccc(C)c4)n3)C2)cn1 ZINC000072350244 571181690 /nfs/dbraw/zinc/18/16/90/571181690.db2.gz BTVVVSKNMTUODX-OAQYLSRUSA-N 0 3 372.516 4.789 40 0 FJABHN Cc1ccc(-c2nnc([C@@H]3CCCN(Cc4ccccc4F)C3)o2)s1 ZINC000072390091 571189530 /nfs/dbraw/zinc/18/95/30/571189530.db2.gz HMUYDNZUYYWMCB-OAHLLOKOSA-N 0 3 357.454 4.625 40 0 FJABHN CC(C)Oc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000010329427 571303098 /nfs/dbraw/zinc/30/30/98/571303098.db2.gz KFEQONRIUFCJBQ-UHFFFAOYSA-N 0 3 352.478 4.712 40 0 FJABHN Fc1ccccc1OCCc1cc([C@@H]2CCCN2Cc2ccccc2)n[nH]1 ZINC000019743203 571327236 /nfs/dbraw/zinc/32/72/36/571327236.db2.gz WUMMXRZWFPLKDK-NRFANRHFSA-N 0 3 365.452 4.507 40 0 FJABHN COc1cc(C)c(CN2CCC(c3cc4ncccc4cn3)CC2)cc1C ZINC000019567277 220274330 /nfs/dbraw/zinc/27/43/30/220274330.db2.gz VNGDPPVLSMZZBM-UHFFFAOYSA-N 0 3 361.489 4.635 40 0 FJABHN CC(C)Oc1cccc(CN2CCC(c3cc4ncccc4cn3)CC2)c1 ZINC000012220302 207348535 /nfs/dbraw/zinc/34/85/35/207348535.db2.gz MILHXGDYMCNUNK-UHFFFAOYSA-N 0 3 361.489 4.797 40 0 FJABHN O=C1CCCN1c1ccc(CNC2(c3ccccc3F)CCCC2)cc1 ZINC000012292755 207354495 /nfs/dbraw/zinc/35/44/95/207354495.db2.gz RBRBJICVUAFWLZ-UHFFFAOYSA-N 0 3 352.453 4.512 40 0 FJABHN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000038834686 208206051 /nfs/dbraw/zinc/20/60/51/208206051.db2.gz GSDRKUAKNAIHIF-MRXNPFEDSA-N 0 3 362.395 4.556 40 0 FJABHN CCOc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000038834337 208206093 /nfs/dbraw/zinc/20/60/93/208206093.db2.gz JOIQHIGMNHQIGG-KRWDZBQOSA-N 0 3 372.896 4.589 40 0 FJABHN Cc1cc(C)c(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c(C)c1 ZINC000038856094 208208614 /nfs/dbraw/zinc/20/86/14/208208614.db2.gz APPGOWJQSGFYEY-IBGZPJMESA-N 0 3 354.469 4.602 40 0 FJABHN CC[C@H](NC(=O)C1CCN(Cc2ccc(C)cc2)CC1)c1ccc(C)cc1 ZINC000044935739 208322887 /nfs/dbraw/zinc/32/28/87/208322887.db2.gz UOEGNSMLRGINRK-QHCPKHFHSA-N 0 3 364.533 4.783 40 0 FJABHN Cc1cccc(CN2CCC(C(=O)N[C@@H](C)c3ccc(C)cc3C)CC2)c1 ZINC000044934886 208323252 /nfs/dbraw/zinc/32/32/52/208323252.db2.gz FIHKZQWITWLVCN-FQEVSTJZSA-N 0 3 364.533 4.701 40 0 FJABHN C1=C[C@H]2C[C@@H]1C[C@@H]2CN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000019889679 220303056 /nfs/dbraw/zinc/30/30/56/220303056.db2.gz XGHRSOOIFQRQQF-AKIFATBCSA-N 0 3 374.528 4.809 40 0 FJABHN C[C@H]1CC2=C(C[C@H]1[C@@H]1NC(=N)Nc3nc4ccccc4n31)C(C)(C)CCC2 ZINC000053944165 221049004 /nfs/dbraw/zinc/04/90/04/221049004.db2.gz KCELIKSTAFGHFD-ZBQZNYHESA-N 0 3 363.509 4.637 40 0 FJABHN C[C@@H]1CC2=C(C[C@H]1[C@@H]1NC(=N)Nc3nc4ccccc4n31)C(C)(C)CCC2 ZINC000053944163 221049101 /nfs/dbraw/zinc/04/91/01/221049101.db2.gz KCELIKSTAFGHFD-ZXYWRSMDSA-N 0 3 363.509 4.637 40 0 FJABHN c1csc(CN2CCC(c3nc4ccc(-c5ccccc5)cn4n3)CC2)c1 ZINC000096038168 221994918 /nfs/dbraw/zinc/99/49/18/221994918.db2.gz FLSIEGPDVDYVCC-UHFFFAOYSA-N 0 3 374.513 4.837 40 0 FJABHN COc1ccc(-c2ccc(CN[C@@H](C)[C@H](O)c3ccccc3)o2)cc1Cl ZINC000022107384 263385015 /nfs/dbraw/zinc/38/50/15/263385015.db2.gz ITAYADLKRQMDPZ-QKKBWIMNSA-N 0 3 371.864 4.820 40 0 FJABHN COc1ccc(-c2ccc(CN[C@H](C)[C@@H](O)c3ccccc3)o2)cc1Cl ZINC000022107380 263385497 /nfs/dbraw/zinc/38/54/97/263385497.db2.gz ITAYADLKRQMDPZ-SPLOXXLWSA-N 0 3 371.864 4.820 40 0 FJABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1 ZINC000039751118 263399361 /nfs/dbraw/zinc/39/93/61/263399361.db2.gz RWQZOOFXOVKFPD-UHFFFAOYSA-N 0 3 356.897 4.808 40 0 FJABHN Cc1ccc(CCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000020036964 524320200 /nfs/dbraw/zinc/32/02/00/524320200.db2.gz OXGVOLOKPNSWBY-UHFFFAOYSA-N 0 3 364.533 4.590 40 0 FJABHN CN(C)CCN(Cc1cccs1)Cc1ccnc2ccc(Cl)cc12 ZINC000023247873 568394139 /nfs/dbraw/zinc/39/41/39/568394139.db2.gz BYDGPKMTSSXMKF-UHFFFAOYSA-N 0 3 359.926 4.514 40 0 FJABHN CN1CCC(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CC1 ZINC000585262965 570481773 /nfs/dbraw/zinc/48/17/73/570481773.db2.gz GFELZUSWRSLXNJ-UHFFFAOYSA-N 0 3 350.491 4.758 40 0 FJABHN CCCCc1ccc(CN[C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)cc1 ZINC000585290547 570495833 /nfs/dbraw/zinc/49/58/33/570495833.db2.gz YCERMUUKMCWKDC-YTFSRNRJSA-N 0 3 371.496 4.619 40 0 FJABHN CC(C)(C)OC(=O)Nc1ccc([C@H]2CCCN2Cc2ccccc2)cn1 ZINC000072214308 570530039 /nfs/dbraw/zinc/53/00/39/570530039.db2.gz ZNEMIIZGZRDHHN-GOSISDBHSA-N 0 3 353.466 4.766 40 0 FJABHN CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2Cc2ccccc2)cn1 ZINC000072214428 570530146 /nfs/dbraw/zinc/53/01/46/570530146.db2.gz YFKHCEBUNWUNAQ-LJQANCHMSA-N 0 3 367.493 4.790 40 0 FJABHN CC(C)CN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215386 570531663 /nfs/dbraw/zinc/53/16/63/570531663.db2.gz FNJJITFJKSYNPR-SFHVURJKSA-N 0 3 359.514 4.778 40 0 FJABHN Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000044905820 570538700 /nfs/dbraw/zinc/53/87/00/570538700.db2.gz XZCUHMYUXOJJOH-ICSRJNTNSA-N 0 3 368.496 4.532 40 0 FJABHN COc1ccc(CN(Cc2ccncc2)CC2CCCCC2)cc1OC ZINC000013989881 570840696 /nfs/dbraw/zinc/84/06/96/570840696.db2.gz GLJALXZUNULHFX-UHFFFAOYSA-N 0 3 354.494 4.681 40 0 FJABHN Cc1ccsc1-c1nnc(C2CCN(CCc3ccccc3)CC2)o1 ZINC000019238718 570883471 /nfs/dbraw/zinc/88/34/71/570883471.db2.gz LQEDOTZZDSYVEY-UHFFFAOYSA-N 0 3 353.491 4.529 40 0 FJABHN Cc1[nH]c2ccc(F)cc2c1[C@@H](O)CN1CC=C(c2ccc(F)cc2)CC1 ZINC000019581400 570894972 /nfs/dbraw/zinc/89/49/72/570894972.db2.gz MSHAKHSQENXAFY-NRFANRHFSA-N 0 3 368.427 4.577 40 0 FJABHN CC1CCN(Cc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2)CC1 ZINC000020461892 570917653 /nfs/dbraw/zinc/91/76/53/570917653.db2.gz KINHJALUNZBEDK-HSZRJFAPSA-N 0 3 362.517 4.726 40 0 FJABHN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2cccc(F)c2)cc1 ZINC000005155764 570951531 /nfs/dbraw/zinc/95/15/31/570951531.db2.gz UVOCKBWJADXADZ-VJBWXMMDSA-N 0 3 369.480 4.703 40 0 FJABHN O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028221090 571027712 /nfs/dbraw/zinc/02/77/12/571027712.db2.gz MRKUUMRIUUNSFV-OAHLLOKOSA-N 0 3 363.288 4.844 40 0 FJABHN O=C(NCCC1=CCCCC1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220437 571027961 /nfs/dbraw/zinc/02/79/61/571027961.db2.gz OMQNMTDKAPLOMB-LJQANCHMSA-N 0 3 360.929 4.559 40 0 FJABHN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000038834996 571087072 /nfs/dbraw/zinc/08/70/72/571087072.db2.gz HNALCLVCBOHNMI-HNNXBMFYSA-N 0 3 363.288 4.844 40 0 FJABHN CCc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038833642 571087095 /nfs/dbraw/zinc/08/70/95/571087095.db2.gz KEAGTACVHNMEKE-GOSISDBHSA-N 0 3 356.897 4.753 40 0 FJABHN Cc1cc(C)cc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000038833523 571087240 /nfs/dbraw/zinc/08/72/40/571087240.db2.gz AYMHZBSIZJSNHI-SFHVURJKSA-N 0 3 356.897 4.808 40 0 FJABHN Cc1cccc(C)c1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038833457 571087342 /nfs/dbraw/zinc/08/73/42/571087342.db2.gz DLIURSFFQPDCRL-GOSISDBHSA-N 0 3 356.897 4.808 40 0 FJABHN Cc1ccc(CN(CCCn2ccnc2)Cc2cc(F)cc(F)c2)s1 ZINC000043277880 571099958 /nfs/dbraw/zinc/09/99/58/571099958.db2.gz VRSSHANGCURSTQ-UHFFFAOYSA-N 0 3 361.461 4.624 40 0 FJABHN Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCN(C(=O)C3CCCC3)C2)n1 ZINC000257224478 571151779 /nfs/dbraw/zinc/15/17/79/571151779.db2.gz FBZHGGIGOFZIIC-QGZVFWFLSA-N 0 3 367.468 4.779 40 0 FJABHN COc1cccc(CN2CCC(c3cccc(Nc4ccccn4)n3)CC2)c1 ZINC000257229027 571152570 /nfs/dbraw/zinc/15/25/70/571152570.db2.gz FWJKNYKGSHSOBB-UHFFFAOYSA-N 0 3 374.488 4.608 40 0 FJABHN Fc1ccc(Cc2cccc(C3CCN(Cc4ccncc4)CC3)n2)cc1 ZINC000072348817 571180186 /nfs/dbraw/zinc/18/01/86/571180186.db2.gz RYJRGJRGXIGXKY-UHFFFAOYSA-N 0 3 361.464 4.586 40 0 FJABHN Fc1cccc(Cc2cccc([C@@H]3CCCN(Cc4ccncc4)C3)n2)c1 ZINC000072348821 571180204 /nfs/dbraw/zinc/18/02/04/571180204.db2.gz XBLNONSDNSXGDJ-HXUWFJFHSA-N 0 3 361.464 4.586 40 0 FJABHN Cc1ccccc1Cc1cccc(C2CCN(Cc3cccnc3)CC2)n1 ZINC000072348849 571180339 /nfs/dbraw/zinc/18/03/39/571180339.db2.gz SWWVXDFJEDJLCI-UHFFFAOYSA-N 0 3 357.501 4.755 40 0 FJABHN Fc1cccc(Cc2cccc([C@H]3CCCN(Cc4cccnc4)C3)n2)c1 ZINC000072348860 571180522 /nfs/dbraw/zinc/18/05/22/571180522.db2.gz KFGVDMXOURLCTK-FQEVSTJZSA-N 0 3 361.464 4.586 40 0 FJABHN Fc1ccccc1Cc1cccc([C@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000072348943 571180607 /nfs/dbraw/zinc/18/06/07/571180607.db2.gz FPPQYDHVIICLTM-IBGZPJMESA-N 0 3 361.464 4.586 40 0 FJABHN Fc1cccc(Cc2cccc(C3CCN(Cc4cccnc4)CC3)n2)c1 ZINC000072348858 571180630 /nfs/dbraw/zinc/18/06/30/571180630.db2.gz GTWGVVRUJRWEBE-UHFFFAOYSA-N 0 3 361.464 4.586 40 0 FJABHN COc1cccc(-c2cccc([C@@H]3CCCN(Cc4ccccn4)C3)n2)c1 ZINC000072348929 571180666 /nfs/dbraw/zinc/18/06/66/571180666.db2.gz QANGOWXZUMBYFP-LJQANCHMSA-N 0 3 359.473 4.532 40 0 FJABHN Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000072356009 571182243 /nfs/dbraw/zinc/18/22/43/571182243.db2.gz YELBNIBNVOLEQM-HSZRJFAPSA-N 0 3 357.501 4.755 40 0 FJABHN Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000072356021 571182471 /nfs/dbraw/zinc/18/24/71/571182471.db2.gz JIPHPLDEYRSMGI-JOCHJYFZSA-N 0 3 357.501 4.755 40 0 FJABHN Cc1ccccc1CN1CCC[C@H]1c1cccc(Nc2nccs2)n1 ZINC000072375268 571185724 /nfs/dbraw/zinc/18/57/24/571185724.db2.gz PMWOFRNAUCNAMR-SFHVURJKSA-N 0 3 350.491 4.927 40 0 FJABHN Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN3Cc3ccccc3C)n2)n1 ZINC000072375266 571185796 /nfs/dbraw/zinc/18/57/96/571185796.db2.gz OILZHIHCIHHKQN-NRFANRHFSA-N 0 3 373.504 4.878 40 0 FJABHN Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCCN2Cc2ccccc2)n1 ZINC000072376750 571186265 /nfs/dbraw/zinc/18/62/65/571186265.db2.gz FNXSINYEJKJKHM-FQEVSTJZSA-N 0 3 362.452 4.592 40 0 FJABHN Cc1cccc(CN2CCC(C(=O)Nc3cccc(Cl)c3C)CC2)c1 ZINC000009063017 571302355 /nfs/dbraw/zinc/30/23/55/571302355.db2.gz JIFYBDMUIXONPM-UHFFFAOYSA-N 0 3 356.897 4.808 40 0 FJABHN O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(Cc2ccccc2)CC1 ZINC000009062777 571302394 /nfs/dbraw/zinc/30/23/94/571302394.db2.gz PDBQACPZLBOBQA-UHFFFAOYSA-N 0 3 363.288 4.844 40 0 FJABHN Cc1cccc(CN2CCC(C(=O)Nc3cccc4ccccc43)CC2)c1 ZINC000009062997 571302414 /nfs/dbraw/zinc/30/24/14/571302414.db2.gz BCXWJXDZYOBUSP-UHFFFAOYSA-N 0 3 358.485 4.999 40 0 FJABHN COc1ccc(Cl)cc1NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000009063118 571302530 /nfs/dbraw/zinc/30/25/30/571302530.db2.gz CVXZLAFVZCAJDR-UHFFFAOYSA-N 0 3 372.896 4.508 40 0 FJABHN Cc1cc([C@H]2CCCCCN2C[C@H](C)Cc2ccc3c(c2)OCO3)no1 ZINC000019119368 571303803 /nfs/dbraw/zinc/30/38/03/571303803.db2.gz QKSRVUXJRJEXMU-DNVCBOLYSA-N 0 3 356.466 4.508 40 0 FJABHN CCc1cccc(CC)c1NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000018005073 571303833 /nfs/dbraw/zinc/30/38/33/571303833.db2.gz UMZPKTWTRCKGCA-UHFFFAOYSA-N 0 3 364.533 4.971 40 0 FJABHN C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000044912828 571306326 /nfs/dbraw/zinc/30/63/26/571306326.db2.gz SVAWLAPZEJNREM-APWZRJJASA-N 0 3 368.908 4.530 40 0 FJABHN Cc1nc2cc(-c3nc4ccc(NC(=O)c5cccs5)cc4[nH]3)ccc2[nH]1 ZINC000000801214 219322787 /nfs/dbraw/zinc/32/27/87/219322787.db2.gz ZJQTTZRQFIZKLN-UHFFFAOYSA-N 0 3 373.441 4.728 40 0 FJABHN O=C1N(c2ccccc2)c2ccccc2C12CCN(Cc1cccs1)CC2 ZINC000109770382 209311762 /nfs/dbraw/zinc/31/17/62/209311762.db2.gz JCTJVPVCMMENRV-UHFFFAOYSA-N 0 3 374.509 4.960 40 0 FJABHN CC(=Cc1ccccc1)CN1[C@@H]2CC[C@H]1CC(O)(c1ccccc1F)C2 ZINC000019014335 220233134 /nfs/dbraw/zinc/23/31/34/220233134.db2.gz AQKGRTSCYROUEQ-YDILYMIDSA-N 0 3 351.465 4.744 40 0 FJABHN COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccc(C)cc2)cc1 ZINC000005164652 207084421 /nfs/dbraw/zinc/08/44/21/207084421.db2.gz HMOJGKUPOBIJBW-TZRRMPRUSA-N 0 3 365.517 4.872 40 0 FJABHN CC(C)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000038833711 208206656 /nfs/dbraw/zinc/20/66/56/208206656.db2.gz DUAQDBYMTMKOTO-LJQANCHMSA-N 0 3 354.469 4.800 40 0 FJABHN CCc1cccc(CC)c1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038856216 208208075 /nfs/dbraw/zinc/20/80/75/208208075.db2.gz QNFDNAPVAVCKIE-FQEVSTJZSA-N 0 3 368.496 4.801 40 0 FJABHN CC[C@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C)cc1 ZINC000044935798 208321554 /nfs/dbraw/zinc/32/15/54/208321554.db2.gz IPVHGRBOBASPLL-QFIPXVFZSA-N 0 3 368.496 4.614 40 0 FJABHN CCOc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000044911198 208322607 /nfs/dbraw/zinc/32/26/07/208322607.db2.gz OJLGYLLGVRDTBV-QGZVFWFLSA-N 0 3 372.896 4.589 40 0 FJABHN Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000044905817 208323144 /nfs/dbraw/zinc/32/31/44/208323144.db2.gz XZCUHMYUXOJJOH-AZUAARDMSA-N 0 3 368.496 4.532 40 0 FJABHN Cc1nc(NC2CCCCC2)cc(N2Cc3ccccc3C(C)(C)C2)n1 ZINC000329023013 132372577 /nfs/dbraw/zinc/37/25/77/132372577.db2.gz OQGRCODUGFKZMY-UHFFFAOYSA-N 0 3 350.510 4.827 40 0 FJABHN CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CCC2CCCC2)CC1 ZINC000100750201 222252369 /nfs/dbraw/zinc/25/23/69/222252369.db2.gz LARSFAQXRPZVNA-MZKRTTBSSA-N 0 3 371.569 4.577 40 0 FJABHN Cc1ccc(CN2CCC(C(=O)Nc3cccc(Cl)c3C)CC2)cc1 ZINC000039748917 263399705 /nfs/dbraw/zinc/39/97/05/263399705.db2.gz HEZZVAVBJJUEJT-UHFFFAOYSA-N 0 3 356.897 4.808 40 0 FJABHN Cc1cc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccccc3)CC2)cc1C ZINC000223469444 568659208 /nfs/dbraw/zinc/65/92/08/568659208.db2.gz AFZWNSJKKWETDI-HXUWFJFHSA-N 0 3 364.533 4.701 40 0 FJABHN CCN(CC)CCOC(=O)C(c1ccccc1)(c1ccccc1)C(C)C ZINC000001653058 570503610 /nfs/dbraw/zinc/50/36/10/570503610.db2.gz UQBXFGGAJJFSGI-UHFFFAOYSA-N 0 3 353.506 4.514 40 0 FJABHN CC(C)CN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215385 570531550 /nfs/dbraw/zinc/53/15/50/570531550.db2.gz FNJJITFJKSYNPR-GOSISDBHSA-N 0 3 359.514 4.778 40 0 FJABHN CC(C)N1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215501 570531586 /nfs/dbraw/zinc/53/15/86/570531586.db2.gz BRJSBHIDSZRVOO-GOSISDBHSA-N 0 3 359.514 4.921 40 0 FJABHN CC(C)N1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215502 570531716 /nfs/dbraw/zinc/53/17/16/570531716.db2.gz BRJSBHIDSZRVOO-SFHVURJKSA-N 0 3 359.514 4.921 40 0 FJABHN CN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215577 570532091 /nfs/dbraw/zinc/53/20/91/570532091.db2.gz OLWOHLVAFVNJFR-GOSISDBHSA-N 0 3 359.514 4.923 40 0 FJABHN CN(C)C1c2cc(Br)ccc2-c2ccc(Br)cc21 ZINC000004975123 570615157 /nfs/dbraw/zinc/61/51/57/570615157.db2.gz HIFHIAOZCKAFPA-UHFFFAOYSA-N 0 3 367.084 4.843 40 0 FJABHN O=C(NC1C[C@H]2CCC[C@@H](C1)N2Cc1cccs1)c1ccc(Cl)cc1 ZINC000004888081 570672771 /nfs/dbraw/zinc/67/27/71/570672771.db2.gz TUEOKNBERHQRRE-AYHJJNSGSA-N 0 3 374.937 4.717 40 0 FJABHN O=C(Nc1cccc(F)c1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000113934910 570826211 /nfs/dbraw/zinc/82/62/11/570826211.db2.gz ZLLMHWATGXPTTP-UHFFFAOYSA-N 0 3 360.432 4.636 40 0 FJABHN CC(C)Oc1cccc(CN2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)c1 ZINC000019450793 570889117 /nfs/dbraw/zinc/88/91/17/570889117.db2.gz QJZDZHMJRVUOFQ-LIMIJEPZSA-N 0 3 369.480 4.628 40 0 FJABHN CC(C)c1ccc(CN2CCC(c3nnc(-c4ccncc4)o3)CC2)cc1 ZINC000019453202 570889187 /nfs/dbraw/zinc/88/91/87/570889187.db2.gz QPQNIFSIZCPBET-UHFFFAOYSA-N 0 3 362.477 4.635 40 0 FJABHN CCSc1ccccc1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224841448 571002395 /nfs/dbraw/zinc/00/23/95/571002395.db2.gz LTKBKQNNBHGLCW-UHFFFAOYSA-N 0 3 368.546 4.715 40 0 FJABHN O=C(Nc1cccc2ccccc21)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039763146 571023442 /nfs/dbraw/zinc/02/34/42/571023442.db2.gz UDBTYGRXTYPXHB-UHFFFAOYSA-N 0 3 362.448 4.830 40 0 FJABHN O=C(Nc1ccc2ccccc2c1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039768395 571024195 /nfs/dbraw/zinc/02/41/95/571024195.db2.gz WLTRBFKRPKMMPB-UHFFFAOYSA-N 0 3 362.448 4.830 40 0 FJABHN CCc1cccc(C)c1NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000039756036 571024996 /nfs/dbraw/zinc/02/49/96/571024996.db2.gz MSJSYMYLODOFJA-UHFFFAOYSA-N 0 3 350.506 4.717 40 0 FJABHN CCc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 ZINC000028220648 571027734 /nfs/dbraw/zinc/02/77/34/571027734.db2.gz RPILTHHQYJLIRL-GOSISDBHSA-N 0 3 356.897 4.753 40 0 FJABHN COc1ccc(C)cc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220840 571027926 /nfs/dbraw/zinc/02/79/26/571027926.db2.gz GGOGEQKTRJDWKH-KRWDZBQOSA-N 0 3 372.896 4.508 40 0 FJABHN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000030938639 571052733 /nfs/dbraw/zinc/05/27/33/571052733.db2.gz CNWAKTILVDNPGX-OAHLLOKOSA-N 0 3 363.288 4.844 40 0 FJABHN CC(C)Oc1cccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 ZINC000030940424 571052871 /nfs/dbraw/zinc/05/28/71/571052871.db2.gz WFZQRQCFYHRCOD-UHFFFAOYSA-N 0 3 366.505 4.958 40 0 FJABHN Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c(C)c1 ZINC000038833338 571087086 /nfs/dbraw/zinc/08/70/86/571087086.db2.gz VZGCPNLIKRYNKH-SFHVURJKSA-N 0 3 356.897 4.808 40 0 FJABHN CCOc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038834282 571087226 /nfs/dbraw/zinc/08/72/26/571087226.db2.gz FERWOKBIOOTKRM-QGZVFWFLSA-N 0 3 372.896 4.589 40 0 FJABHN Fc1ccccc1CN(CCCn1ccnc1)Cc1ccc2ncccc2c1 ZINC000043277829 571100100 /nfs/dbraw/zinc/10/01/00/571100100.db2.gz HAQBZLDIFJCXLW-UHFFFAOYSA-N 0 3 374.463 4.663 40 0 FJABHN Cc1cccc(CN2CCC(C(=O)N[C@H](C)c3ccc(C)c(C)c3)CC2)c1 ZINC000044856350 571103137 /nfs/dbraw/zinc/10/31/37/571103137.db2.gz GGONBHICEPJMJY-HXUWFJFHSA-N 0 3 364.533 4.701 40 0 FJABHN Brc1ccccc1-c1nc2cc(CN3CCCC3)ccc2o1 ZINC000216791290 571141586 /nfs/dbraw/zinc/14/15/86/571141586.db2.gz UIPWHRIJJXPYPN-UHFFFAOYSA-N 0 3 357.251 4.853 40 0 FJABHN Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCN(C(=O)C3CCCC3)C2)n1 ZINC000257224477 571151848 /nfs/dbraw/zinc/15/18/48/571151848.db2.gz FBZHGGIGOFZIIC-KRWDZBQOSA-N 0 3 367.468 4.779 40 0 FJABHN Fc1cccc(Cc2cccc([C@H]3CCCN(Cc4ccncc4)C3)n2)c1 ZINC000072348822 571180305 /nfs/dbraw/zinc/18/03/05/571180305.db2.gz XBLNONSDNSXGDJ-FQEVSTJZSA-N 0 3 361.464 4.586 40 0 FJABHN Fc1ccc(CN2CCC[C@@H](c3nccnc3-c3ccccc3F)C2)cc1 ZINC000072358382 571183596 /nfs/dbraw/zinc/18/35/96/571183596.db2.gz FXUSMWKANQPVPF-QGZVFWFLSA-N 0 3 365.427 4.801 40 0 FJABHN Cc1ccccc1-c1noc([C@H]2CCN(Cc3ccc4ccccc4n3)C2)n1 ZINC000257321955 223064493 /nfs/dbraw/zinc/06/44/93/223064493.db2.gz WEBHFOLIZHNEOU-SFHVURJKSA-N 0 3 370.456 4.583 40 0 FJABHN Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCN(C(=O)CC(C)C)C2)n1 ZINC000257337661 223071010 /nfs/dbraw/zinc/07/10/10/223071010.db2.gz YTVGKSDJXYLQRS-MRXNPFEDSA-N 0 3 355.457 4.635 40 0 FJABHN Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1Cl ZINC000038849679 208208666 /nfs/dbraw/zinc/20/86/66/208208666.db2.gz VLQOQLBGIJBJLD-INIZCTEOSA-N 0 3 360.860 4.638 40 0 FJABHN Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1C ZINC000038835178 208205010 /nfs/dbraw/zinc/20/50/10/208205010.db2.gz LJTUGGUWKCUQJC-GOSISDBHSA-N 0 3 356.897 4.808 40 0 FJABHN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c(C)c1 ZINC000044934851 208321892 /nfs/dbraw/zinc/32/18/92/208321892.db2.gz YWLNRFLHNUCKAM-UYAOXDASSA-N 0 3 368.496 4.532 40 0 FJABHN CNc1cncc([C@@H]2CCCN2Cc2ccccc2-c2ccccc2OC)n1 ZINC000257295138 533072124 /nfs/dbraw/zinc/07/21/24/533072124.db2.gz QXDIESUTBMCXKD-NRFANRHFSA-N 0 3 374.488 4.531 40 0 FJABHN c1cc(CN2CCC(c3nc4ccc(-c5ccccc5)cn4n3)CC2)cs1 ZINC000096038170 209098522 /nfs/dbraw/zinc/09/85/22/209098522.db2.gz BFZXQCZLQRCVIE-UHFFFAOYSA-N 0 3 374.513 4.837 40 0 FJABHN Cc1ccc(-c2nnc([C@H]3CCN(Cc4ccc(Cl)cc4)C3)o2)cc1 ZINC000049169893 221021045 /nfs/dbraw/zinc/02/10/45/221021045.db2.gz RTTKHPCFRKPFEI-KRWDZBQOSA-N 0 3 353.853 4.688 40 0 biogenic,in-vitro FJABHN O=C(Nc1ccc2c3c(cccc31)CC2)C1CCN(Cc2ccccc2)CC1 ZINC000065858823 221237092 /nfs/dbraw/zinc/23/70/92/221237092.db2.gz FFYMOPMLQLGKMR-UHFFFAOYSA-N 0 3 370.496 4.789 40 0 FJABHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccccc1Br ZINC000017076402 263372301 /nfs/dbraw/zinc/37/23/01/263372301.db2.gz WWGSGVQFDYSVKM-UHFFFAOYSA-N 0 3 373.294 4.687 40 0 FJABHN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C=C[C@@H](NCc2ccc(F)cc2)C1 ZINC000008636113 560210553 /nfs/dbraw/zinc/21/05/53/560210553.db2.gz REQSPCSALKVXQA-TZIWHRDSSA-N 0 3 361.464 4.830 40 0 biogenic,in-vitro FJABHN CCc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000222613972 568545534 /nfs/dbraw/zinc/54/55/34/568545534.db2.gz JVYGXPPIDOXBOC-IBGZPJMESA-N 0 3 364.533 4.972 40 0 FJABHN CN(C)C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001758887 570506844 /nfs/dbraw/zinc/50/68/44/570506844.db2.gz OAKNQOGRECTGTA-JOCHJYFZSA-N 0 3 359.469 4.665 40 0 FJABHN C[C@H](NCC=C(c1ccsc1)c1ccsc1)[C@H](O)c1ccccc1 ZINC000001844846 570508592 /nfs/dbraw/zinc/50/85/92/570508592.db2.gz JQSHEDRVRBSFCZ-YWZLYKJASA-N 0 3 355.528 4.953 40 0 in-man FJABHN CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2)cn1)C1CCCCC1 ZINC000072215694 570532924 /nfs/dbraw/zinc/53/29/24/570532924.db2.gz ZMWOCFFAENDUAQ-SFHVURJKSA-N 0 3 359.514 4.970 40 0 FJABHN c1[nH]nc(-c2ccccc2)c1CN(CCc1ccccc1)Cc1ccncc1 ZINC000019371157 570888040 /nfs/dbraw/zinc/88/80/40/570888040.db2.gz ORURLZWZMGJGNN-UHFFFAOYSA-N 0 3 368.484 4.717 40 0 FJABHN Cc1ncc(CN2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)s1 ZINC000019715797 570899777 /nfs/dbraw/zinc/89/97/77/570899777.db2.gz SSUFKWBBKPVXKR-MRXNPFEDSA-N 0 3 354.523 4.762 40 0 FJABHN COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2F)cc1 ZINC000005254865 570955635 /nfs/dbraw/zinc/95/56/35/570955635.db2.gz WGYUNJBUDLXZGQ-PMVMPFDFSA-N 0 3 369.480 4.703 40 0 FJABHN CC(C)c1ccc(NC(=S)NC2CCN(Cc3cccs3)CC2)cc1 ZINC000225230805 571022965 /nfs/dbraw/zinc/02/29/65/571022965.db2.gz LSVGBOBHNIFVAY-UHFFFAOYSA-N 0 3 373.591 4.823 40 0 FJABHN Cc1ccc(CN2CCC(C(=O)Nc3ccccc3C(C)C)CC2)cc1 ZINC000039759255 571026268 /nfs/dbraw/zinc/02/62/68/571026268.db2.gz PMPGRINQZWMGFA-UHFFFAOYSA-N 0 3 350.506 4.969 40 0 FJABHN CCOc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 ZINC000028220563 571027694 /nfs/dbraw/zinc/02/76/94/571027694.db2.gz NMGLLLMYBLLZQZ-QGZVFWFLSA-N 0 3 372.896 4.589 40 0 FJABHN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220835 571027903 /nfs/dbraw/zinc/02/79/03/571027903.db2.gz GGOGEQKTRJDWKH-QGZVFWFLSA-N 0 3 372.896 4.508 40 0 FJABHN O=C(NC1CCCCCCC1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030944009 571053478 /nfs/dbraw/zinc/05/34/78/571053478.db2.gz VQORJZJXOCTZCI-SFHVURJKSA-N 0 3 362.945 4.781 40 0 FJABHN O=C(Nc1cccc(Cl)c1Cl)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000225903002 571078841 /nfs/dbraw/zinc/07/88/41/571078841.db2.gz YLDSAOSSRHKURE-HNNXBMFYSA-N 0 3 363.288 4.844 40 0 FJABHN Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c(C)c1 ZINC000038833334 571086791 /nfs/dbraw/zinc/08/67/91/571086791.db2.gz ZWJRRABWTCJSDX-SFHVURJKSA-N 0 3 356.897 4.808 40 0 FJABHN Cc1cccc(C)c1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038833461 571087000 /nfs/dbraw/zinc/08/70/00/571087000.db2.gz WLSONQXVTOPOAU-GOSISDBHSA-N 0 3 356.897 4.808 40 0 FJABHN CCc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038833643 571087012 /nfs/dbraw/zinc/08/70/12/571087012.db2.gz KEAGTACVHNMEKE-SFHVURJKSA-N 0 3 356.897 4.753 40 0 FJABHN O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038833867 571087310 /nfs/dbraw/zinc/08/73/10/571087310.db2.gz UWJVHQICGBVXMO-OAHLLOKOSA-N 0 3 363.288 4.844 40 0 FJABHN Cc1cccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1C ZINC000038835179 571087800 /nfs/dbraw/zinc/08/78/00/571087800.db2.gz LJTUGGUWKCUQJC-SFHVURJKSA-N 0 3 356.897 4.808 40 0 FJABHN CC1CCN(Cc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)CC1 ZINC000038853500 571088210 /nfs/dbraw/zinc/08/82/10/571088210.db2.gz GFCRUSXBRJBPHL-UHFFFAOYSA-N 0 3 360.860 4.963 40 0 FJABHN C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000044912821 571104764 /nfs/dbraw/zinc/10/47/64/571104764.db2.gz SVAWLAPZEJNREM-VQIMIIECSA-N 0 3 368.908 4.530 40 0 FJABHN C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccc(F)cc1 ZINC000044934014 571105305 /nfs/dbraw/zinc/10/53/05/571105305.db2.gz HCANGIHHYOOZER-MAUKXSAKSA-N 0 3 374.887 4.569 40 0 FJABHN Cc1cccc(CN2CCC(C(=O)N[C@H](C)c3ccc(C)cc3C)CC2)c1 ZINC000044934889 571105343 /nfs/dbraw/zinc/10/53/43/571105343.db2.gz FIHKZQWITWLVCN-HXUWFJFHSA-N 0 3 364.533 4.701 40 0 FJABHN Cc1oc2ccccc2c1CN(CCCOC(C)C)Cc1ccncc1 ZINC000057797126 571122593 /nfs/dbraw/zinc/12/25/93/571122593.db2.gz PJUQHTQPAZKBPL-UHFFFAOYSA-N 0 3 352.478 4.954 40 0 FJABHN C[C@@H]1CC2=C(C[C@H]1[C@H]1NC(=N)Nc3nc4ccccc4n31)C(C)(C)CCC2 ZINC000245237928 571137039 /nfs/dbraw/zinc/13/70/39/571137039.db2.gz KCELIKSTAFGHFD-MUKKUYKPSA-N 0 3 363.509 4.637 40 0 FJABHN c1ccc(C[C@@H]2CCCN(Cc3ccccc3OCc3cccnc3)C2)nc1 ZINC000257235531 571152777 /nfs/dbraw/zinc/15/27/77/571152777.db2.gz GYFMXGMMSZSCBN-FQEVSTJZSA-N 0 3 373.500 4.510 40 0 FJABHN COc1ccc(-c2cccc([C@H]3CCCN(Cc4ccncc4)C3)n2)cc1 ZINC000072348809 571180154 /nfs/dbraw/zinc/18/01/54/571180154.db2.gz XPGFEMDKXVPLKT-FQEVSTJZSA-N 0 3 359.473 4.532 40 0 FJABHN Fc1ccc(Cc2cccc([C@@H]3CCCN(Cc4ccncc4)C3)n2)cc1 ZINC000072348818 571180290 /nfs/dbraw/zinc/18/02/90/571180290.db2.gz MBVYXOCYROPMRH-HXUWFJFHSA-N 0 3 361.464 4.586 40 0 FJABHN Fc1cccc(Cc2cccc([C@@H]3CCCN(Cc4ccccn4)C3)n2)c1 ZINC000072348949 571180538 /nfs/dbraw/zinc/18/05/38/571180538.db2.gz HWQIYSNDAWXHKB-LJQANCHMSA-N 0 3 361.464 4.586 40 0 FJABHN CCc1ncc(CN2CCC[C@H](c3cccc(-c4cccc(C)c4)n3)C2)cn1 ZINC000072350243 571181705 /nfs/dbraw/zinc/18/17/05/571181705.db2.gz BTVVVSKNMTUODX-NRFANRHFSA-N 0 3 372.516 4.789 40 0 FJABHN Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000072356010 571182259 /nfs/dbraw/zinc/18/22/59/571182259.db2.gz YELBNIBNVOLEQM-QHCPKHFHSA-N 0 3 357.501 4.755 40 0 FJABHN Cc1cccc(CN2CCC[C@H]2c2cccc(Nc3nccs3)n2)c1 ZINC000072375272 571185618 /nfs/dbraw/zinc/18/56/18/571185618.db2.gz HZMFECFILUAHKF-SFHVURJKSA-N 0 3 350.491 4.927 40 0 FJABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(OC(C)C)cc3)CC2)c1 ZINC000009063072 571302554 /nfs/dbraw/zinc/30/25/54/571302554.db2.gz JHYZJTCBYHMXTI-UHFFFAOYSA-N 0 3 366.505 4.633 40 0 FJABHN CC(C)c1ccccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009063601 571302681 /nfs/dbraw/zinc/30/26/81/571302681.db2.gz SYZDISIWOFUIFJ-UHFFFAOYSA-N 0 3 354.469 4.800 40 0 FJABHN